A0A093JMF4_STRCA Loading...

Leucine-rich repeat protein SHOC-2

AlphaFold DB , UniProt , Accession A0A093JMF4, Species STRCA (Struthio camelus australis), Gene n/a, Length 582 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	31.9	Very low	236 Å²	236	141.9 Å²	141.9	100%	1.163	78%	0.78	S	S	*	*				0	125.1	0	-67.4	-171.7	-162	0	0	107.6
2	S	33.8	Very low	31.6	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	78%	0.778	S	S	*	*			trans	59.9	105	158.2	-42.2	0	0	0	0	117.7
3	S	33.1	Very low	31.4	Very low	110 Å²	110	146.5 Å²	146.5	77%	0.769	78%	0.779	S	S	*	*				59.8	133	74.3	76.3	0	0	0	0	112.8
4	N	36.2	Very low	31.1	Very low	148 Å²	148	150.5 Å²	150.5	79%	0.791	79%	0.786	S	S	*	*			cis	-175.5	175.8	0.2	-142.2	-8.9	0	0	0	107.7
5	L	33.2	Very low	31	Very low	166 Å²	166	151 Å²	151	87%	0.869	79%	0.79	S	S	*	*			trans	92.1	120.6	162.8	-64.7	125.4	0	0	0	117.9
6	G	31.2	Very low	30.9	Very low	64 Å²	64	149.6 Å²	149.6	66%	0.66	79%	0.793	S	S	*	*			cis	171.5	155	-2.6	0	0	0	0	0	113.8
7	K	34	Very low	30.7	Very low	180 Å²	180	152.5 Å²	152.5	78%	0.783	80%	0.797	S	S	*	*			trans	62.6	144.4	143.8	-65.7	-178.3	160.4	-131.4	0	118.4
8	E	29.6	Very low	31	Very low	129 Å²	129	151.8 Å²	151.8	60%	0.603	80%	0.8	S	S	*	*			cis	-173	141.3	9.8	-115.1	170.1	-146.4	0	0	102.7
9	K	29.4	Very low	30.9	Very low	182 Å²	182	150.2 Å²	150.2	79%	0.791	80%	0.799	S	S	*	*				-177.6	136	62.6	-112.8	162.5	-172.1	-179.4	0	110.5
10	D	27.6	Very low	30.8	Very low	150 Å²	150	148.2 Å²	148.2	80%	0.802	80%	0.798	S	S	*	*			trans	-30.7	164.7	156.2	-76	-51.7	0	0	0	118.4
11	C	27.2	Very low	30.9	Very low	88 Å²	88	146.4 Å²	146.4	60%	0.595	80%	0.797	S	S	*	*			cis	-172.6	148	-13.8	-120.4	0	0	0	0	108.8
12	K	28.3	Very low	30.8	Very low	173 Å²	173	144.6 Å²	144.6	75%	0.752	78%	0.782	S	S	*	*			trans	64	114.2	133.3	-71.3	176.8	-179.2	179	0	123.5
13	E	28.1	Very low	30.6	Very low	171 Å²	171	148.8 Å²	148.8	80%	0.799	79%	0.79	S	S	*	*				38.7	128	115.7	-80	180	153	0	0	120.6
14	K	27.2	Very low	30.5	Very low	202 Å²	202	155.4 Å²	155.4	88%	0.878	80%	0.798	S	S	*	*				-176.8	147.2	109.5	-97.4	174.1	-175	-176.4	0	112.4
15	D	30.6	Very low	30.2	Very low	158 Å²	158	157.3 Å²	157.3	85%	0.845	80%	0.802	S	S	*	*			trans	-51.1	158.7	178.5	-58.8	-71.3	0	0	0	115.8
16	P	29.2	Very low	30	Very low	128 Å²	128	159 Å²	159	83%	0.831	80%	0.803	S	S	*	*			trans	-112.3	133.7	155.7	28.2	-12.5	0	0	0	114.1
17	K	27.7	Very low	29.9	Very low	200 Å²	200	165.9 Å²	165.9	87%	0.87	82%	0.818	S	S	*	*			trans	-63.5	155.4	166.6	-77.2	170.1	168.8	175.1	0	113.1
18	V	35.5	Very low	29.6	Very low	139 Å²	139	161.6 Å²	161.6	84%	0.842	82%	0.816	S	S	*	*			trans	-54.7	145.2	162.8	-179.6	0	0	0	0	112.5
19	P	28.6	Very low	29.3	Very low	121 Å²	121	165.7 Å²	165.7	79%	0.786	83%	0.831	S	S	*	*			trans	-122	148.6	153.1	28.7	-12.2	0	0	0	114.4
20	S	28.5	Very low	29.1	Very low	110 Å²	110	161.7 Å²	161.7	77%	0.769	83%	0.832	S	S	*	*			trans	-85.9	164.9	-176	53.6	0	0	0	0	114.6	K22	S20-K22 PolarHBondContact O-N 3.42Å
21	S	34	Very low	29	Very low	112 Å²	112	160.3 Å²	160.3	78%	0.783	83%	0.834	S	S	*	*	S	Bend	trans	-38	109.1	168.6	52	0	0	0	0	116.6
22	K	34.6	Very low	28.8	Very low	197 Å²	197	160 Å²	160	86%	0.857	85%	0.847	S	S	*	*			trans	173.2	87.4	143.3	-101.6	177.9	-180	-179.3	0	108.2	S20	S20-K22 PolarHBondContact O-N 3.42Å
23	E	29.4	Very low	28.5	Very low	196 Å²	196	154.9 Å²	154.9	92%	0.916	84%	0.842	S	S	*	*			trans	-178.9	71.8	163.6	-105.9	165.8	-157.9	0	0	110.1
24	R	31.1	Very low	28.3	Very low	250 Å²	250	157.3 Å²	157.3	94%	0.943	85%	0.851	S	S	*	*			trans	-145.8	62.1	163.9	-93	-167.1	179.7	-177.9	-0.3	109
25	E	30.2	Very low	28.1	Very low	187 Å²	187	151 Å²	151	87%	0.874	84%	0.843	S	S	*	*			trans	-163.8	82.4	167	-110.3	-179	-171.5	0	0	107.2
26	K	28.8	Very low	27.8	Very low	203 Å²	203	153 Å²	153	88%	0.883	84%	0.844	S	S	*	*			trans	174.3	78	158.7	-100.4	169.5	-173	-175.8	0	108.9
27	E	27.8	Very low	27.4	Very low	208 Å²	208	156.1 Å²	156.1	97%	0.972	85%	0.848	S	S	*	*			trans	-162.3	56	152.3	-110.1	169.9	-155.6	0	0	108.4
28	A	27.5	Very low	27.2	Very low	89 Å²	89	150.4 Å²	150.4	74%	0.736	85%	0.846	S	S	*	*			trans	-120.8	124.1	159	0	0	0	0	0	106
29	K	24.9	Very low	26.6	Very low	215 Å²	215	153.9 Å²	153.9	94%	0.935	85%	0.85	S	S	*	*			trans	105.9	90.9	176.3	-61.5	174.8	177.6	-179.4	0	116
30	A	24.6	Very low	26.3	Very low	98 Å²	98	156.9 Å²	156.9	81%	0.81	85%	0.853	S	S	*	*			trans	166.4	97.4	131.2	0	0	0	0	0	106.8
31	S	25.8	Very low	26.1	Very low	121 Å²	121	161 Å²	161	85%	0.846	86%	0.857	S	S	*	*				-175.4	122.3	75.1	35.7	0	0	0	0	109.6
32	G	22	Very low	25.5	Very low	83 Å²	83	164.9 Å²	164.9	86%	0.856	86%	0.863	S	S	*	*			trans	-84.8	174.6	152.5	0	0	0	0	0	108.9
33	G	22.1	Very low	25	Very low	64 Å²	64	161.1 Å²	161.1	66%	0.66	86%	0.859	S	S	*	*			cis	-170.6	166.5	8.2	0	0	0	0	0	107
34	F	24	Very low	24.7	Very low	223 Å²	223	161.5 Å²	161.5	98%	0.978	86%	0.857	S	S	*	*				165.8	139.4	113.5	-88.5	-78.4	0	0	0	104.1
35	G	22.7	Very low	24.3	Very low	70 Å²	70	156.3 Å²	156.3	72%	0.722	85%	0.854	S	S	*	*			cis	154.4	133.6	2.6	0	0	0	0	0	108.9
36	K	24.2	Very low	23.9	Very low	198 Å²	198	157.4 Å²	157.4	86%	0.861	86%	0.856	S	S	*	*			trans	126	100.8	147.6	-71.7	-169.7	174.1	-176.9	0	118.2
37	E	22.6	Very low	23.5	Very low	194 Å²	194	151.2 Å²	151.2	91%	0.907	85%	0.849	S	S	*	*				44.1	119.8	123.3	-64.1	-175.4	148.4	0	0	121.8
38	G	22.7	Very low	23.3	Very low	81 Å²	81	151.2 Å²	151.2	84%	0.835	85%	0.846	S	S	*	*			trans	-160.5	105.8	151.8	0	0	0	0	0	110.2
39	K	22.4	Very low	23	Very low	211 Å²	211	154.9 Å²	154.9	92%	0.917	85%	0.853	S	S	*	*			trans	-77.4	132.1	172.1	-78.9	176.5	173.8	172.3	0	109.8
40	E	22.8	Very low	22.9	Very low	184 Å²	184	149.1 Å²	149.1	86%	0.86	85%	0.846	S	S	*	*			trans	-164.6	101.7	152.4	-110	165.9	-164.6	0	0	109.4
41	K	23.9	Very low	22.8	Very low	197 Å²	197	153.8 Å²	153.8	86%	0.857	85%	0.848	S	S	*	*				60.7	96.1	105.2	-76.7	-172.6	179.7	175	0	115.1
42	E	21.4	Very low	22.7	Very low	194 Å²	194	155.9 Å²	155.9	91%	0.907	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-61.5	135.6	155	-70.4	-179.1	149.6	0	0	111
43	P	24.4	Very low	22.7	Very low	117 Å²	117	155.5 Å²	155.5	76%	0.76	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-99.2	123	160.9	32	-22	0	0	0	111.1
44	K	22.7	Very low	22.7	Very low	205 Å²	205	162.3 Å²	162.3	89%	0.891	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-55.2	134.1	156.2	-67.4	172.2	175	173.6	0	109.8
45	T	23.9	Very low	22.7	Very low	141 Å²	141	161.3 Å²	161.3	87%	0.865	85%	0.852	S	S	*	*			trans	-133.2	129.5	155.2	33.7	0	0	0	0	111.6
46	K	21.4	Very low	22.7	Very low	210 Å²	210	165.9 Å²	165.9	91%	0.913	86%	0.86	S	S	*	*			trans	-74	149.1	172.4	-74.1	171.9	170.7	176.1	0	109.4
47	G	21	Very low	22.5	Very low	73 Å²	73	162 Å²	162	75%	0.753	86%	0.858	S	S	*	*			trans	-71.8	172.3	-177.9	0	0	0	0	0	116.1
48	K	22.1	Very low	22.5	Very low	208 Å²	208	157.8 Å²	157.8	90%	0.904	85%	0.85	S	S	*	*			trans	-160.8	137.8	151.9	-105	178.5	-178.9	-177.6	0	109.4
49	D	22	Very low	22.6	Very low	166 Å²	166	159.6 Å²	159.6	89%	0.888	85%	0.85	S	S	*	*			trans	-64.1	147.2	179	-56.9	-80.4	0	0	0	114.7
50	A	23	Very low	22.5	Very low	93 Å²	93	156.4 Å²	156.4	77%	0.769	85%	0.848	S	S	*	*			trans	-174.3	109.6	137.1	0	0	0	0	0	108.5
51	K	21.8	Very low	22.5	Very low	197 Å²	197	155.5 Å²	155.5	86%	0.857	84%	0.844	S	S	*	*				36	102.8	108.5	-93	-171.4	173.3	-174.4	0	114.6
52	D	23.7	Very low	22.6	Very low	165 Å²	165	151.3 Å²	151.3	88%	0.882	84%	0.837	S	S	*	*				-173.6	144.9	108	-97.6	-28.6	0	0	0	111.4
53	G	22	Very low	22.8	Very low	75 Å²	75	145.1 Å²	145.1	77%	0.773	83%	0.825	S	S	*	*			trans	-87.8	153.1	-173	0	0	0	0	0	114.3
54	K	22.7	Very low	23	Very low	207 Å²	207	144 Å²	144	90%	0.9	82%	0.816	S	S	*	*			trans	-141.7	126.9	149.5	-119.3	177.7	177.4	-175.6	0	108.2
55	K	23.1	Very low	23.4	Very low	201 Å²	201	137.4 Å²	137.4	87%	0.874	80%	0.8	S	S	*	*			trans	-81.1	121.9	177.5	-80.5	174.1	170.1	178.4	0	108
56	D	22.6	Very low	24.2	Very low	167 Å²	167	132.7 Å²	132.7	89%	0.893	77%	0.767	S	S	*	*			trans	-90.6	124.7	153.9	-75.5	-33.3	0	0	0	108.3
57	S	21.3	Very low	25	Very low	117 Å²	117	125.9 Å²	125.9	82%	0.818	75%	0.746	S	S	*	*			trans	-107.4	105.5	179.3	51.4	0	0	0	0	109.5
58	S	21.5	Very low	26.1	Very low	105 Å²	105	123.6 Å²	123.6	73%	0.734	72%	0.718	S	S	*	*			trans	-151.1	134.3	161.2	61.7	0	0	0	0	110.2
59	S	24.1	Very low	26.9	Very low	119 Å²	119	116.3 Å²	116.3	83%	0.832	69%	0.688	S	S	*	*			trans	60.1	91.2	168.6	62.3	0	0	0	0	118.4
60	T	21.9	Very low	27.6	Very low	143 Å²	143	114.6 Å²	114.6	88%	0.877	68%	0.679	S	S	*	*			trans	-88.5	102.5	164.8	-44.5	0	0	0	0	109.8
61	Q	22.8	Very low	28.5	Very low	165 Å²	165	114.5 Å²	114.5	77%	0.771	67%	0.669	S	S	*	*			trans	-145.1	124.9	132.4	-100.5	-164.1	-17.1	0	0	107.6	G63	Q61-G63 PolarHBondContact O-N 3.39Å
62	P	25	Very low	29.5	Very low	109 Å²	109	106.7 Å²	106.7	71%	0.708	64%	0.637	S	S	*	*			trans	-72.6	115.8	179.2	28.7	-29	0	0	0	107.9	V64	P62-V64 PolarHBondContact O-N 2.94Å; P62-V64 VanDerWaalsContact O-N 3.09Å
63	G	25.8	Very low	30.1	Very low	65 Å²	65	108.1 Å²	108.1	67%	0.67	64%	0.635	S	S	*	*			trans	-49.3	121.6	153.8	0	0	0	0	0	106.6	Q61 A65	Q61-G63 PolarHBondContact O-N 3.39Å; G63-A65 VanDerWaalsContact C-N 3.3Å; G63-A65 PolarHBondContact O-N 3.49Å
64	V	29	Very low	31	Very low	93 Å²	93	114.1 Å²	114.1	56%	0.564	63%	0.634	S	S	*	*			trans	-61.4	97.8	-171.9	-178.7	0	0	0	0	107	P62 F66	P62-V64 PolarHBondContact O-N 2.94Å; P62-V64 VanDerWaalsContact O-N 3.09Å; V64-F66 PolarHBondContact O-N 2.9Å
65	A	30.2	Very low	31.6	Very low	66 Å²	66	106.4 Å²	106.4	55%	0.545	61%	0.605	S	S	.	*			trans	-54.4	139.1	174.5	0	0	0	0	0	107.5	G63 S67	G63-A65 VanDerWaalsContact C-N 3.3Å; G63-A65 PolarHBondContact O-N 3.49Å; A65-S67 PolarHBondContact O-N 3.25Å
66	F	42.3	Very low	32	Very low	43 Å²	43	104.2 Å²	104.2	19%	0.189	60%	0.603	C	S	.	*			trans	-59.2	74.7	163.9	-84.1	-93.8	0	0	0	108.7	V64 V68 D267 R288	V64-F66 PolarHBondContact O-N 2.9Å; F66-V68 VanDerWaalsContact C-N 3.26Å; F66-V68 PolarHBondContact O-N 3.48Å; F66-V68 VanDerWaalsContact O-N 3.16Å; F66-D267 WeakPolarHBondContact CB-OD2 3.39Å; F66-D267 HydrophobicContact CD1-CB 3.55Å; F66-D267 VanDerWaalsContact CD1-CG 3.4Å; F66-D267 WeakPolarHBondContact CD1-OD2 3.33Å; F66-D267 HydrophobicContact CE1-CB 3.46Å; F66-D267 VanDerWaalsContact CE1-CB 3.46Å; F66-D267 HydrophobicContact CG-CB 4.2Å; F66-D267 WeakPolarHBondContact CG-OD2 3.39Å; F66-D267 HydrophobicContact CZ-CB 4.05Å; F66-R288 HydrophobicContact CE1-CB 4.45Å
67	S	37.2	Very low	32.4	Very low	67 Å²	67	100.5 Å²	100.5	47%	0.469	59%	0.588	S	S	.	*			trans	-91.1	66.2	179.3	82.6	0	0	0	0	108.5	A65 D69	A65-S67 PolarHBondContact O-N 3.25Å; S67-D69 PolarHBondContact O-N 3.17Å
68	V	44.3	Very low	33	Very low	25 Å²	25	99.4 Å²	99.4	15%	0.152	59%	0.586	C	S	.	*	G	3₁₀ helix	trans	-72.2	-8.8	166.8	-146.9	0	0	0	0	111	F66 N70 T71 M219 T242	F66-V68 VanDerWaalsContact C-N 3.26Å; F66-V68 PolarHBondContact O-N 3.48Å; F66-V68 VanDerWaalsContact O-N 3.16Å; V68-N70 VanDerWaalsContact C-N 3.29Å; V68-N70 PolarHBondContact O-N 3.44Å; V68-T71 PolarHBondContact O-OG1 2.98Å; V68-M219 HydrophobicContact CB-CE 3.79Å; V68-M219 HydrophobicContact CG1-CE 3.16Å; V68-M219 HydrophobicContact CG1-SD 3.75Å; V68-T242 HydrophobicContact CG1-CG2 4.04Å; V68-T242 HydrophobicContact CG2-CG2 4.31Å
69	D	39.7	Very low	33.6	Very low	55 Å²	55	101.8 Å²	101.8	29%	0.294	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-68.9	-13.7	-179.5	-76.1	-46.8	0	0	0	115.7	S67 T71 R177 R200	S67-D69 PolarHBondContact O-N 3.17Å; D69-T71 VanDerWaalsContact C-N 3.34Å; D69-T71 PolarHBondContact O-N 3.39Å; D69-R177 IonicContact OD1-NH1 3.72Å; D69-R200 IonicContact OD1-NH1 3.7Å; D69-R200 PolarHBondContact OD1-NH1 2.94Å; D69-R200 IonicContact OD2-CZ 3.37Å; D69-R200 IonicContact OD2-NH1 3.49Å; D69-R200 PolarHBondContact OD2-NH1 3.26Å
70	N	36.7	Very low	34.3	Very low	130 Å²	130	99 Å²	99	70%	0.695	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-84.5	-0	-174.8	-80.4	-13.1	0	0	0	114.7	V68	V68-N70 VanDerWaalsContact C-N 3.29Å; V68-N70 PolarHBondContact O-N 3.44Å
71	T	39.8	Very low	35.1	Very low	91 Å²	91	97.8 Å²	97.8	56%	0.558	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-77.9	-17.7	-177.7	53.7	0	0	0	0	113.8	V68 D69 K73 Y198	V68-T71 PolarHBondContact O-OG1 2.98Å; D69-T71 VanDerWaalsContact C-N 3.34Å; D69-T71 PolarHBondContact O-N 3.39Å; T71-K73 PolarHBondContact O-N 3.27Å; T71-Y198 PolarHBondContact OG1-OH 3.31Å
72	I	43.1	Very low	36	Very low	33 Å²	33	102 Å²	102	17%	0.169	59%	0.588	C	S	.	*	S	Bend	trans	-89.4	97.8	164.6	-64.6	160.1	0	0	0	106.3	R74 M173 Y198	I72-R74 PolarHBondContact O-N 3.44Å; I72-M173 HydrophobicContact CD1-CE 3.66Å; I72-M173 HydrophobicContact CG1-CE 3.81Å; I72-M173 HydrophobicContact CG1-SD 4.32Å; I72-Y198 HydrophobicContact CD1-CD2 4.23Å; I72-Y198 HydrophobicContact CD1-CE2 3.99Å; I72-Y198 HydrophobicContact CG1-CE2 4.47Å
73	K	36.2	Very low	37.2	Very low	194 Å²	194	104 Å²	104	84%	0.843	59%	0.586	S	S	*	*			trans	-54.9	95.1	160.2	-78.8	-172.3	179.7	179.8	0	106.6	T71 P75	T71-K73 PolarHBondContact O-N 3.27Å; K73-P75 WeakPolarHBondContact O-CD 3.49Å
74	R	41.6	Very low	38.6	Very low	202 Å²	202	110.2 Å²	110.2	76%	0.762	59%	0.594	S	S	*	*			trans	-55.4	114.3	170	-68	179	-178.9	-175.1	-2.1	104.7	I72 N76	I72-R74 PolarHBondContact O-N 3.44Å; R74-N76 PolarHBondContact O-N 3.48Å
75	P	35.2	Very low	40.1	Very low	45 Å²	45	106.8 Å²	106.8	29%	0.292	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-55.5	140.9	170.9	-14.1	26.3	0	0	0	107	K73 P77	K73-P75 WeakPolarHBondContact O-CD 3.49Å; P75-P77 VanDerWaalsContact O-N 3.16Å
76	N	30.9	Very low	42.2	Very low	154 Å²	154	106.3 Å²	106.3	82%	0.824	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-47.5	128.3	174.6	-89	-15.3	0	0	0	108.5	R74 A78	R74-N76 PolarHBondContact O-N 3.48Å; N76-A78 PolarHBondContact O-N 2.96Å
77	P	32.4	Very low	43.9	Very low	89 Å²	89	109 Å²	109	58%	0.578	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-58.1	120.2	178.8	22.5	-30.1	0	0	0	107.4	P75 T79	P75-P77 VanDerWaalsContact O-N 3.16Å; P77-T79 PolarHBondContact O-N 2.63Å; P77-T79 VanDerWaalsContact O-N 3.15Å
78	A	33.6	Very low	46	Very low	95 Å²	95	109 Å²	109	79%	0.785	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-52.9	125.8	160.9	0	0	0	0	0	106.5	N76 G80	N76-A78 PolarHBondContact O-N 2.96Å; A78-G80 PolarHBondContact O-N 3.37Å
79	T	33.4	Very low	48	Very low	155 Å²	155	111.7 Å²	111.7	95%	0.951	60%	0.599	S	S	*	*			trans	-63.4	83.1	179.9	36.7	0	0	0	0	109.3	P77	P77-T79 PolarHBondContact O-N 2.63Å; P77-T79 VanDerWaalsContact O-N 3.15Å
80	G	38.8	Very low	50.3	Low	61 Å²	61	109.2 Å²	109.2	63%	0.629	59%	0.586	S	S	*	*			trans	-127.9	111.8	-177.4	0	0	0	0	0	110.8	A78	A78-G80 PolarHBondContact O-N 3.37Å
81	T	38.6	Very low	52.7	Low	117 Å²	117	106.1 Å²	106.1	72%	0.718	57%	0.568	S	S	*	*			trans	-44.6	137	165.6	46.1	0	0	0	0	111.2	K83	T81-K83 VanDerWaalsContact C-N 3.29Å; T81-K83 PolarHBondContact O-N 3.07Å
82	R	43	Very low	55.1	Low	254 Å²	254	109.4 Å²	109.4	96%	0.958	58%	0.575	S	S	*	*			trans	-53.7	85.2	173.1	-75.7	178	174	171	-1.8	111
83	K	50.1	Low	57.4	Low	151 Å²	151	110.3 Å²	110.3	66%	0.657	58%	0.579	S	S	*	*			trans	-85.8	133.5	169.3	-82.1	-176.2	175.5	-179.5	0	108.6	T81 S85	T81-K83 VanDerWaalsContact C-N 3.29Å; T81-K83 PolarHBondContact O-N 3.07Å; K83-S85 PolarHBondContact O-N 3.23Å; K83-S85 VanDerWaalsContact O-N 3.12Å
84	K	53.8	Low	60	Low	194 Å²	194	101.2 Å²	101.2	84%	0.843	54%	0.539	S	S	*	.			trans	-64.8	107.4	166.3	-76.2	178.7	177.6	176.4	0	107	S86	K84-S86 PolarHBondContact O-N 3.47Å
85	S	61.8	Low	62.4	Low	22 Å²	22	94 Å²	94	15%	0.154	52%	0.516	C	S	.	.			trans	-69.8	121.9	176.3	-174.7	0	0	0	0	109.5	K83 E89 V90 R110	K83-S85 PolarHBondContact O-N 3.23Å; K83-S85 VanDerWaalsContact O-N 3.12Å; S85-E89 WeakPolarHBondContact CA-OE2 3.47Å; S85-V90 WeakPolarHBondContact OG-CG2 3.39Å; S85-R110 WeakPolarHBondContact CB-O 3.48Å; S85-R110 PolarHBondContact N-O 3.46Å
86	S	72.8	Confident	65	Low	56 Å²	56	96.7 Å²	96.7	39%	0.392	52%	0.523	S	S	.	.			trans	-73.9	157.2	165.2	70.5	0	0	0	0	109.6	K84 A88 E89 V90	K84-S86 PolarHBondContact O-N 3.47Å; S86-A88 PolarHBondContact O-N 3.17Å; S86-E89 WeakPolarHBondContact O-CB 3.41Å; S86-E89 PolarHBondContact O-N 3.14Å; S86-E89 VanDerWaalsContact O-N 3.07Å; S86-E89 PolarHBondContact OG-N 2.91Å; S86-V90 PolarHBondContact O-N 3.31Å
87	N	78.9	Confident	68	Low	98 Å²	98	89.7 Å²	89.7	52%	0.524	49%	0.486	S	S	.	.	H	α-helix	trans	-58.8	-31.6	175.8	-163.1	26.3	0	0	0	111.8	E89 V90 I91	N87-E89 VanDerWaalsContact C-N 3.34Å; N87-E89 PolarHBondContact O-N 2.86Å; N87-V90 PolarHBondContact O-N 3.09Å; N87-I91 WeakPolarHBondContact O-CG1 3.39Å; N87-I91 PolarHBondContact O-N 3.3Å; N87-I91 VanDerWaalsContact O-N 3.09Å
88	A	81.8	Confident	70.8	Confident	69 Å²	69	90.3 Å²	90.3	57%	0.57	48%	0.477	S	S	*	.	H	α-helix	trans	-64.5	-35.6	175.9	0	0	0	0	0	112.8	S86 I91 K92	S86-A88 PolarHBondContact O-N 3.17Å; A88-I91 PolarHBondContact O-N 3.21Å; A88-K92 WeakPolarHBondContact O-CB 3.45Å; A88-K92 PolarHBondContact O-N 3Å
89	E	85.4	Confident	73.6	Confident	81 Å²	81	92.9 Å²	92.9	38%	0.379	47%	0.472	S	S	.	.	H	α-helix	trans	-67.8	-38.7	175.4	-73.4	174.6	-170.8	0	0	111.8	S85 S86 N87 K92 E93	S85-E89 WeakPolarHBondContact CA-OE2 3.47Å; S86-E89 WeakPolarHBondContact O-CB 3.41Å; S86-E89 PolarHBondContact O-N 3.14Å; S86-E89 VanDerWaalsContact O-N 3.07Å; S86-E89 PolarHBondContact OG-N 2.91Å; N87-E89 VanDerWaalsContact C-N 3.34Å; N87-E89 PolarHBondContact O-N 2.86Å; E89-K92 PolarHBondContact O-N 3.21Å; E89-E93 WeakPolarHBondContact O-CG 3.29Å; E89-E93 PolarHBondContact O-N 3.31Å; E89-E93 VanDerWaalsContact O-N 3.12Å
90	V	88.3	Confident	76.4	Confident	3 Å²	3	91.4 Å²	91.4	2%	0.018	46%	0.455	C	S	.	.	H	α-helix	trans	-62.5	-46.8	175.3	-176.3	0	0	0	0	110.2	S85 S86 N87 K92 E93 L94 L107 I112 P116	S85-V90 WeakPolarHBondContact OG-CG2 3.39Å; S86-V90 PolarHBondContact O-N 3.31Å; N87-V90 PolarHBondContact O-N 3.09Å; V90-K92 VanDerWaalsContact C-N 3.3Å; V90-K92 PolarHBondContact O-N 3.09Å; V90-E93 PolarHBondContact O-N 3.2Å; V90-L94 HydrophobicContact CG1-CD1 4.39Å; V90-L94 WeakPolarHBondContact O-CG 2.82Å; V90-L94 PolarHBondContact O-N 3.12Å; V90-L107 HydrophobicContact CG1-CD1 4.11Å; V90-I112 HydrophobicContact CG1-CD1 4.48Å; V90-I112 HydrophobicContact CG2-CD1 3.84Å; V90-I112 HydrophobicContact CG2-CG1 3.9Å; V90-I112 HydrophobicContact CG2-CG2 4.48Å; V90-P116 HydrophobicContact CB-CG 4.32Å; V90-P116 HydrophobicContact CG1-CG 3.86Å
91	I	88.1	Confident	78.9	Confident	65 Å²	65	93.6 Å²	93.6	33%	0.333	45%	0.452	S	S	.	.	H	α-helix	trans	-60.8	-39.7	177.5	-66.2	168.5	0	0	0	111.4	N87 A88 E93 L94 N95 P116	N87-I91 WeakPolarHBondContact O-CG1 3.39Å; N87-I91 PolarHBondContact O-N 3.3Å; N87-I91 VanDerWaalsContact O-N 3.09Å; A88-I91 PolarHBondContact O-N 3.21Å; I91-E93 VanDerWaalsContact C-N 3.34Å; I91-E93 PolarHBondContact O-N 2.99Å; I91-L94 PolarHBondContact O-N 2.84Å; I91-N95 PolarHBondContact O-N 2.96Å; I91-N95 PolarHBondContact O-ND2 3.12Å; I91-P116 HydrophobicContact CG1-CB 4.2Å; I91-P116 HydrophobicContact CG1-CG 3.95Å
92	K	89.3	Confident	81.5	Confident	159 Å²	159	89.9 Å²	89.9	69%	0.691	43%	0.431	S	S	*	.	H	α-helix	trans	-60.6	-42.4	176.6	-172.4	178.9	179.7	179.6	0	112.1	A88 E89 V90 N95 K96	A88-K92 WeakPolarHBondContact O-CB 3.45Å; A88-K92 PolarHBondContact O-N 3Å; E89-K92 PolarHBondContact O-N 3.21Å; V90-K92 VanDerWaalsContact C-N 3.3Å; V90-K92 PolarHBondContact O-N 3.09Å; K92-N95 PolarHBondContact O-N 3.04Å; K92-K96 WeakPolarHBondContact O-CB 3.35Å; K92-K96 PolarHBondContact O-N 3.02Å
93	E	90.7	Very high	84	Confident	53 Å²	53	83.4 Å²	83.4	25%	0.248	41%	0.413	C	S	.	.	H	α-helix	trans	-69.2	-36.4	176.8	-64.8	-76.7	-165.3	0	0	112.5	E89 V90 I91 K96 C97 L107 R110	E89-E93 WeakPolarHBondContact O-CG 3.29Å; E89-E93 PolarHBondContact O-N 3.31Å; E89-E93 VanDerWaalsContact O-N 3.12Å; V90-E93 PolarHBondContact O-N 3.2Å; I91-E93 VanDerWaalsContact C-N 3.34Å; I91-E93 PolarHBondContact O-N 2.99Å; E93-K96 PolarHBondContact O-N 3.2Å; E93-C97 VanDerWaalsContact O-CB 3.29Å; E93-C97 WeakPolarHBondContact O-CB 3.37Å; E93-C97 PolarHBondContact O-N 3.32Å; E93-L107 HydrophobicContact CB-CD2 3.98Å; E93-L107 HydrophobicContact CG-CD2 4.38Å; E93-R110 VanDerWaalsContact CG-NH1 3.31Å; E93-R110 IonicContact OE1-CZ 2.81Å; E93-R110 IonicContact OE1-NH1 3.73Å; E93-R110 PolarHBondContact OE1-NH1 2.96Å; E93-R110 IonicContact OE1-NH2 2.74Å; E93-R110 PolarHBondContact OE1-NH2 3.28Å
94	L	92.1	Very high	86.2	Confident	3 Å²	3	80.6 Å²	80.6	2%	0.016	40%	0.398	C	S	.	.	H	α-helix	trans	-60.8	-47.4	173.4	-66.8	174.9	0	0	0	110.8	V90 I91 K96 C97 R98 L105 L107 P116 A118 I119 L122	V90-L94 HydrophobicContact CG1-CD1 4.39Å; V90-L94 WeakPolarHBondContact O-CG 2.82Å; V90-L94 PolarHBondContact O-N 3.12Å; I91-L94 PolarHBondContact O-N 2.84Å; L94-K96 PolarHBondContact O-N 3.11Å; L94-C97 PolarHBondContact O-N 2.8Å; L94-R98 PolarHBondContact O-N 3.17Å; L94-L105 HydrophobicContact CD2-CD2 3.59Å; L94-L107 HydrophobicContact CD2-CD1 4.46Å; L94-P116 HydrophobicContact CD1-CB 4.07Å; L94-P116 HydrophobicContact CD1-CG 4.01Å; L94-A118 HydrophobicContact CD1-CB 4.2Å; L94-I119 HydrophobicContact CD2-CD1 3.57Å; L94-L122 HydrophobicContact CB-CD1 4.39Å; L94-L122 HydrophobicContact CD2-CD1 3.54Å
95	N	90.4	Very high	88.2	Confident	51 Å²	51	71.8 Å²	71.8	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-62.8	-43	177.1	-71.5	-24.4	0	0	0	111.8	I91 K92 C97 R98 E99	I91-N95 PolarHBondContact O-N 2.96Å; I91-N95 PolarHBondContact O-ND2 3.12Å; K92-N95 PolarHBondContact O-N 3.04Å; N95-C97 PolarHBondContact O-N 3.38Å; N95-R98 WeakPolarHBondContact O-CB 3.41Å; N95-R98 PolarHBondContact O-N 3.21Å; N95-R98 VanDerWaalsContact O-N 3.17Å; N95-E99 WeakPolarHBondContact O-CG 3.45Å; N95-E99 PolarHBondContact O-N 3.08Å
96	K	91.6	Very high	89.7	Confident	100 Å²	100	73.3 Å²	73.3	44%	0.435	37%	0.366	S	S	.	.	H	α-helix	trans	-59	-47.3	175.3	-176.6	-176.7	173.9	-172.1	0	111.6	K92 E93 L94 R98 E99 E100	K92-K96 WeakPolarHBondContact O-CB 3.35Å; K92-K96 PolarHBondContact O-N 3.02Å; E93-K96 PolarHBondContact O-N 3.2Å; L94-K96 PolarHBondContact O-N 3.11Å; K96-R98 PolarHBondContact O-N 3.15Å; K96-E99 PolarHBondContact O-N 2.75Å; K96-E100 VanDerWaalsContact CE-CD 3.45Å; K96-E100 WeakPolarHBondContact CE-OE1 3.36Å; K96-E100 WeakPolarHBondContact CE-OE2 3.38Å; K96-E100 HydrophobicContact CG-CG 4.39Å; K96-E100 IonicContact NZ-OE1 2.63Å; K96-E100 WeakPolarHBondContact O-CB 3.06Å; K96-E100 WeakPolarHBondContact O-CG 3.49Å; K96-E100 PolarHBondContact O-N 3.37Å
97	C	92.3	Very high	90.7	Very high	7 Å²	7	70.6 Å²	70.6	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-60.8	-34.8	177.3	-172.8	0	0	0	0	112.4	E93 L94 N95 N101 S102 L105 L122	E93-C97 VanDerWaalsContact O-CB 3.29Å; E93-C97 WeakPolarHBondContact O-CB 3.37Å; E93-C97 PolarHBondContact O-N 3.32Å; L94-C97 PolarHBondContact O-N 2.8Å; N95-C97 PolarHBondContact O-N 3.38Å; C97-N101 PolarHBondContact O-N 3.08Å; C97-S102 PolarHBondContact O-N 2.88Å; C97-S102 VanDerWaalsContact O-N 3.08Å; C97-L105 HydrophobicContact CB-CD1 4.13Å; C97-L122 HydrophobicContact CB-CD1 4.26Å; C97-L122 HydrophobicContact CB-CD2 4.43Å
98	R	92.1	Very high	91.4	Very high	103 Å²	103	66.6 Å²	66.6	39%	0.389	33%	0.327	S	S	.	.	H	α-helix	trans	-67.9	-48.8	175.1	-166.5	-179.2	62.5	-164.8	-4.8	111.4	L94 N95 K96 N101 E121 L122	L94-R98 PolarHBondContact O-N 3.17Å; N95-R98 WeakPolarHBondContact O-CB 3.41Å; N95-R98 PolarHBondContact O-N 3.21Å; N95-R98 VanDerWaalsContact O-N 3.17Å; K96-R98 PolarHBondContact O-N 3.15Å; R98-N101 PolarHBondContact O-N 3.07Å; R98-N101 VanDerWaalsContact O-N 3.17Å; R98-E121 IonicContact CZ-OE2 3.14Å; R98-E121 IonicContact NH1-OE2 2.78Å; R98-E121 PolarHBondContact NH1-OE2 3.47Å; R98-L122 HydrophobicContact CB-CD2 3.58Å; R98-L122 HydrophobicContact CG-CD2 4.12Å
99	E	91.4	Very high	91.8	Very high	149 Å²	149	68.8 Å²	68.8	70%	0.696	32%	0.324	S	S	*	.	H	α-helix	trans	-64.7	-39.1	-179.3	-72.9	168.7	-165.5	0	0	112.1	N95 K96 N101	N95-E99 WeakPolarHBondContact O-CG 3.45Å; N95-E99 PolarHBondContact O-N 3.08Å; K96-E99 PolarHBondContact O-N 2.75Å; E99-N101 PolarHBondContact O-N 3.15Å
100	E	92.6	Very high	92	Very high	124 Å²	124	68.2 Å²	68.2	58%	0.579	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.1	176.9	-67.2	175.8	170.4	0	0	113	K96 S102	K96-E100 VanDerWaalsContact CE-CD 3.45Å; K96-E100 WeakPolarHBondContact CE-OE1 3.36Å; K96-E100 WeakPolarHBondContact CE-OE2 3.38Å; K96-E100 HydrophobicContact CG-CG 4.39Å; K96-E100 IonicContact NZ-OE1 2.63Å; K96-E100 WeakPolarHBondContact O-CB 3.06Å; K96-E100 WeakPolarHBondContact O-CG 3.49Å; K96-E100 PolarHBondContact O-N 3.37Å; E100-S102 PolarHBondContact O-N 3.49Å; E100-S102 VanDerWaalsContact O-N 3.14Å
101	N	91.6	Very high	92.1	Very high	106 Å²	106	70.1 Å²	70.1	57%	0.567	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	37.3	-173.7	-166	36.7	0	0	0	112.7	C97 R98 E99 Q124	C97-N101 PolarHBondContact O-N 3.08Å; R98-N101 PolarHBondContact O-N 3.07Å; R98-N101 VanDerWaalsContact O-N 3.17Å; E99-N101 PolarHBondContact O-N 3.15Å; N101-Q124 WeakPolarHBondContact OD1-CG 3.42Å
102	S	93.4	Very high	92.2	Very high	39 Å²	39	67.3 Å²	67.3	27%	0.273	32%	0.317	S	S	.	.			trans	-69.4	137	-177.7	179.1	0	0	0	0	110.3	C97 E100 R104 Q124 L125	C97-S102 PolarHBondContact O-N 2.88Å; C97-S102 VanDerWaalsContact O-N 3.08Å; E100-S102 PolarHBondContact O-N 3.49Å; E100-S102 VanDerWaalsContact O-N 3.14Å; S102-R104 VanDerWaalsContact C-N 3.28Å; S102-R104 PolarHBondContact OG-N 2.72Å; S102-R104 PolarHBondContact OG-O 2.84Å; S102-Q124 WeakPolarHBondContact O-CG 3.48Å; S102-Q124 PolarHBondContact O-NE2 3.14Å; S102-L125 WeakPolarHBondContact O-CD2 3.08Å
103	M	95.5	Very high	92.3	Very high	119 Å²	119	65 Å²	65	59%	0.586	31%	0.309	S	S	*	.	S	Bend	trans	-81.2	-10.7	173.7	-62.4	-178.1	-177.7	0	0	112.6	L125 T126 E127	M103-L125 WeakPolarHBondContact O-CA 3.48Å; M103-L125 WeakPolarHBondContact O-CD2 3.24Å; M103-T126 HydrophobicContact CB-CG2 4.35Å; M103-T126 PolarHBondContact O-N 2.89Å; M103-T126 PolarHBondContact O-OG1 3Å; M103-E127 PolarHBondContact O-N 3.48Å; M103-E127 VanDerWaalsContact O-N 3.12Å
104	R	96	Very high	92.3	Very high	92 Å²	92	69 Å²	69	35%	0.347	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.8	-176	177.9	-177.3	174	122.7	-2.4	110.6	S102 E127 Y129	S102-R104 VanDerWaalsContact C-N 3.28Å; S102-R104 PolarHBondContact OG-N 2.72Å; S102-R104 PolarHBondContact OG-O 2.84Å; R104-E127 WeakPolarHBondContact CA-O 3.4Å; R104-E127 HydrophobicContact CB-CB 4.22Å; R104-E127 WeakPolarHBondContact CD-OE2 3.38Å; R104-E127 HydrophobicContact CG-CB 4.01Å; R104-E127 IonicContact CZ-OE2 2.63Å; R104-E127 IonicContact NE-OE2 3.83Å; R104-E127 IonicContact NH1-OE2 2.84Å; R104-E127 PolarHBondContact NH1-OE2 3.37Å; R104-Y129 HydrophobicContact CG-CD2 4.41Å; R104-Y129 HydrophobicContact CG-CE2 4.16Å; R104-Y129 PolarHBondContact NH1-OH 3.11Å
105	L	95.3	Very high	92.3	Very high	9 Å²	9	69.4 Å²	69.4	5%	0.047	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.4	174.7	178.2	60.7	0	0	0	110.5	L94 C97 L107 I119 L122 L125 E127 L128 Y129	L94-L105 HydrophobicContact CD2-CD2 3.59Å; C97-L105 HydrophobicContact CB-CD1 4.13Å; L105-L107 HydrophobicContact CD1-CD2 4.18Å; L105-L107 HydrophobicContact CD1-CG 4.03Å; L105-L107 HydrophobicContact CD2-CD1 3.97Å; L105-L107 HydrophobicContact CD2-CG 4.3Å; L105-L107 HydrophobicContact CG-CD1 4.23Å; L105-L107 HydrophobicContact CG-CG 3.99Å; L105-I119 HydrophobicContact CD2-CD1 4.09Å; L105-L122 HydrophobicContact CD2-CD1 3.82Å; L105-L125 HydrophobicContact CB-CD1 4.05Å; L105-L125 HydrophobicContact CB-CD2 3.76Å; L105-L125 HydrophobicContact CD2-CD1 4.13Å; L105-E127 PolarHBondContact N-O 2.86Å; L105-L128 HydrophobicContact CB-CD1 4.06Å; L105-L128 HydrophobicContact CD2-CD1 3.88Å; L105-L128 HydrophobicContact CG-CD1 4.02Å; L105-Y129 PolarHBondContact O-N 2.8Å
106	D	94.5	Very high	92.4	Very high	53 Å²	53	67.7 Å²	67.7	28%	0.283	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	108.9	175.9	-166.7	-13.3	0	0	0	111.3	S108 Y129	D106-S108 WeakPolarHBondContact OD1-CB 3.45Å; D106-S108 PolarHBondContact OD1-N 3.23Å; D106-S108 PolarHBondContact OD1-OG 3.29Å; D106-Y129 HydrophobicContact CB-CD2 4.5Å
107	L	93.7	Very high	92.4	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.324	C	S	.	.			trans	-113.3	23.4	178.4	-67.8	178.4	0	0	0	111.7	V90 E93 L94 L105 I112 L115 Y129 L130 N133	V90-L107 HydrophobicContact CG1-CD1 4.11Å; E93-L107 HydrophobicContact CB-CD2 3.98Å; E93-L107 HydrophobicContact CG-CD2 4.38Å; L94-L107 HydrophobicContact CD2-CD1 4.46Å; L105-L107 HydrophobicContact CD1-CD2 4.18Å; L105-L107 HydrophobicContact CD1-CG 4.03Å; L105-L107 HydrophobicContact CD2-CD1 3.97Å; L105-L107 HydrophobicContact CD2-CG 4.3Å; L105-L107 HydrophobicContact CG-CD1 4.23Å; L105-L107 HydrophobicContact CG-CG 3.99Å; L107-I112 HydrophobicContact CB-CD1 3.83Å; L107-I112 HydrophobicContact CD1-CD1 4.47Å; L107-L115 HydrophobicContact CD1-CD1 3.99Å; L107-Y129 PolarHBondContact N-O 3.21Å; L107-L130 HydrophobicContact CB-CD2 3.74Å; L107-L130 HydrophobicContact CD1-CD2 4.08Å; L107-N133 PolarHBondContact O-ND2 3.16Å
108	S	92.5	Very high	92.3	Very high	13 Å²	13	67 Å²	67	9%	0.091	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	153.1	-173.1	-49.5	0	0	0	0	113	D106 R110 Y129 Y131	D106-S108 WeakPolarHBondContact OD1-CB 3.45Å; D106-S108 PolarHBondContact OD1-N 3.23Å; D106-S108 PolarHBondContact OD1-OG 3.29Å; S108-R110 WeakPolarHBondContact O-CG 3.35Å; S108-R110 PolarHBondContact O-N 3.05Å; S108-Y129 PolarHBondContact OG-O 2.85Å; S108-Y131 CarbonylContact C-O 3.17Å; S108-Y131 WeakPolarHBondContact CA-O 3.18Å; S108-Y131 VanDerWaalsContact CB-CE1 3.43Å; S108-Y131 VanDerWaalsContact CB-CE2 3.45Å; S108-Y131 VanDerWaalsContact CB-O 3.24Å; S108-Y131 WeakPolarHBondContact CB-O 3.43Å; S108-Y131 WeakPolarHBondContact OG-CD1 3.31Å; S108-Y131 WeakPolarHBondContact OG-CE1 3.18Å; S108-Y131 PolarHBondContact OG-N 3.47Å
109	K	90.6	Very high	92.4	Very high	115 Å²	115	62.1 Å²	62.1	50%	0.5	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	24.2	177.8	-62.3	170.9	173.8	165.6	0	115	Y131 S132	K109-Y131 HydrophobicContact CD-CE2 4.34Å; K109-Y131 HydrophobicContact CG-CE2 4.29Å; K109-Y131 PolarHBondContact N-O 3.17Å; K109-S132 WeakPolarHBondContact CA-O 3.41Å
110	R	90.6	Very high	92.5	Very high	69 Å²	69	60 Å²	60	26%	0.26	30%	0.302	S	S	.	.	S	Bend	trans	-99.3	2.9	-176.9	-70.6	-174.2	-173.2	-136.1	9.9	114.1	S85 E93 S108 I112 N133	S85-R110 WeakPolarHBondContact CB-O 3.48Å; S85-R110 PolarHBondContact N-O 3.46Å; E93-R110 VanDerWaalsContact CG-NH1 3.31Å; E93-R110 IonicContact OE1-CZ 2.81Å; E93-R110 IonicContact OE1-NH1 3.73Å; E93-R110 PolarHBondContact OE1-NH1 2.96Å; E93-R110 IonicContact OE1-NH2 2.74Å; E93-R110 PolarHBondContact OE1-NH2 3.28Å; S108-R110 WeakPolarHBondContact O-CG 3.35Å; S108-R110 PolarHBondContact O-N 3.05Å; R110-I112 VanDerWaalsContact C-N 3.25Å; R110-I112 HydrophobicContact CB-CD1 3.93Å; R110-I112 HydrophobicContact CB-CG1 3.78Å; R110-I112 PolarHBondContact O-N 3.03Å; R110-N133 PolarHBondContact N-OD1 3.17Å; R110-N133 VanDerWaalsContact N-OD1 3.11Å
111	S	90.1	Very high	92.5	Very high	44 Å²	44	58.3 Å²	58.3	31%	0.308	30%	0.295	S	S	.	.			trans	57.5	34.3	-176	-59.4	0	0	0	0	113.8	H113 N133	S111-H113 PolarHBondContact O-CD2 3.12Å; S111-N133 PolarHBondContact N-OD1 3.43Å
112	I	91.1	Very high	92.7	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.031	27%	0.268	C	S	.	.			trans	-70.3	131.9	-178.5	-59.4	171.5	0	0	0	110.1	V90 L107 R110 M114 N133 K134 L135	V90-I112 HydrophobicContact CG1-CD1 4.48Å; V90-I112 HydrophobicContact CG2-CD1 3.84Å; V90-I112 HydrophobicContact CG2-CG1 3.9Å; V90-I112 HydrophobicContact CG2-CG2 4.48Å; L107-I112 HydrophobicContact CB-CD1 3.83Å; L107-I112 HydrophobicContact CD1-CD1 4.47Å; R110-I112 VanDerWaalsContact C-N 3.25Å; R110-I112 HydrophobicContact CB-CD1 3.93Å; R110-I112 HydrophobicContact CB-CG1 3.78Å; R110-I112 PolarHBondContact O-N 3.03Å; I112-M114 WeakPolarHBondContact CG2-O 3.48Å; I112-N133 HydrophobicContact CB-CB 4.35Å; I112-N133 PolarHBondContact N-OD1 3.14Å; I112-K134 CarbonylContact O-C 3.23Å; I112-K134 VanDerWaalsContact O-C 3.23Å; I112-K134 VanDerWaalsContact O-CA 3.31Å; I112-K134 WeakPolarHBondContact O-CA 3.37Å; I112-K134 PolarHBondContact O-N 2.8Å; I112-L135 HydrophobicContact CG2-CD2 3.89Å; I112-L135 PolarHBondContact O-N 3.17Å
113	H	90.9	Very high	92.6	Very high	110 Å²	110	54.6 Å²	54.6	51%	0.509	28%	0.275	S	S	.	.	S	Bend	trans	-94.6	-34.3	178.9	-74.8	-84.3	0	0	0	113.5	S111 K134	S111-H113 PolarHBondContact O-CD2 3.12Å; H113-K134 VanDerWaalsContact CE1-CD 3.48Å; H113-K134 WeakPolarHBondContact CE1-CD 3.3Å
114	M	90.8	Very high	92.6	Very high	138 Å²	138	50.6 Å²	50.6	68%	0.68	25%	0.254	S	S	*	.	S	Bend	trans	-144.8	145.2	176.7	-61.8	-167	-53.9	0	0	109.3	I112	I112-M114 WeakPolarHBondContact CG2-O 3.48Å
115	L	92.4	Very high	92.6	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.052	24%	0.238	C	C	.	.			trans	-87.5	131.6	173.3	-168.9	70.1	0	0	0	109.3	L107 I119 L130 P139 V142	L107-L115 HydrophobicContact CD1-CD1 3.99Å; L115-I119 HydrophobicContact CD2-CB 4.22Å; L115-I119 HydrophobicContact CD2-CD1 4.27Å; L115-I119 HydrophobicContact CD2-CG1 3.96Å; L115-I119 HydrophobicContact CD2-CG2 4.25Å; L115-I119 HydrophobicContact CG-CB 4.46Å; L115-L130 HydrophobicContact CD1-CD2 4.01Å; L115-L130 HydrophobicContact CD2-CD1 4.26Å; L115-P139 HydrophobicContact CB-CG 3.95Å; L115-P139 HydrophobicContact CD2-CG 4.21Å; L115-P139 HydrophobicContact CG-CG 4.37Å; L115-V142 HydrophobicContact CD2-CG2 3.84Å
116	P	91.8	Very high	92.7	Very high	15 Å²	15	47.3 Å²	47.3	10%	0.097	25%	0.245	C	C	.	.			trans	-64.7	148.5	177.8	-21.5	32.2	0	0	0	113.1	V90 I91 L94 A118 I119	V90-P116 HydrophobicContact CB-CG 4.32Å; V90-P116 HydrophobicContact CG1-CG 3.86Å; I91-P116 HydrophobicContact CG1-CB 4.2Å; I91-P116 HydrophobicContact CG1-CG 3.95Å; L94-P116 HydrophobicContact CD1-CB 4.07Å; L94-P116 HydrophobicContact CD1-CG 4.01Å; P116-A118 HydrophobicContact CB-CB 4.48Å; P116-A118 PolarHBondContact O-N 2.87Å; P116-I119 WeakPolarHBondContact O-CB 3.33Å; P116-I119 WeakPolarHBondContact O-CG2 3.44Å; P116-I119 PolarHBondContact O-N 3.45Å
117	S	90.8	Very high	92.9	Very high	66 Å²	66	47.5 Å²	47.5	46%	0.462	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-64.5	-18.6	175.3	56.1	0	0	0	0	113.8	I119 K120 E141	S117-I119 PolarHBondContact O-N 2.8Å; S117-K120 WeakPolarHBondContact O-CG 3.48Å; S117-K120 PolarHBondContact O-N 2.91Å; S117-K120 VanDerWaalsContact O-N 3.15Å; S117-E141 WeakPolarHBondContact CB-OE1 3.14Å
118	A	91.7	Very high	93	Very high	28 Å²	28	47.5 Å²	47.5	23%	0.231	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-57.3	-16.5	172.8	0	0	0	0	0	113.5	L94 P116 K120 E121	L94-A118 HydrophobicContact CD1-CB 4.2Å; P116-A118 HydrophobicContact CB-CB 4.48Å; P116-A118 PolarHBondContact O-N 2.87Å; A118-K120 PolarHBondContact O-N 3.2Å; A118-K120 VanDerWaalsContact O-N 3.11Å; A118-E121 PolarHBondContact O-N 2.59Å
119	I	94.2	Very high	93.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-54.1	-28.1	173	-165.5	72.2	0	0	0	112.8	L94 L105 L115 P116 S117 E121 L122 P139 E141 V142 L145	L94-I119 HydrophobicContact CD2-CD1 3.57Å; L105-I119 HydrophobicContact CD2-CD1 4.09Å; L115-I119 HydrophobicContact CD2-CB 4.22Å; L115-I119 HydrophobicContact CD2-CD1 4.27Å; L115-I119 HydrophobicContact CD2-CG1 3.96Å; L115-I119 HydrophobicContact CD2-CG2 4.25Å; L115-I119 HydrophobicContact CG-CB 4.46Å; P116-I119 WeakPolarHBondContact O-CB 3.33Å; P116-I119 WeakPolarHBondContact O-CG2 3.44Å; P116-I119 PolarHBondContact O-N 3.45Å; S117-I119 PolarHBondContact O-N 2.8Å; I119-E121 PolarHBondContact O-N 3.26Å; I119-L122 HydrophobicContact CD1-CD1 4.07Å; I119-L122 PolarHBondContact O-N 2.95Å; I119-L122 VanDerWaalsContact O-N 3.09Å; I119-P139 HydrophobicContact CG2-CG 4.4Å; I119-E141 HydrophobicContact CG2-CB 3.73Å; I119-V142 HydrophobicContact CG2-CG2 4.4Å; I119-L145 HydrophobicContact CG1-CD1 4.05Å; I119-L145 HydrophobicContact CG1-CD2 4.46Å; I119-L145 WeakPolarHBondContact O-CD2 3.31Å
120	K	93.4	Very high	93.5	Very high	103 Å²	103	42.6 Å²	42.6	45%	0.448	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-57.2	-23.4	180	69.8	-174.1	-178.3	177.8	0	114.2	S117 A118 L122 E141 C144	S117-K120 WeakPolarHBondContact O-CG 3.48Å; S117-K120 PolarHBondContact O-N 2.91Å; S117-K120 VanDerWaalsContact O-N 3.15Å; A118-K120 PolarHBondContact O-N 3.2Å; A118-K120 VanDerWaalsContact O-N 3.11Å; K120-L122 VanDerWaalsContact C-N 3.34Å; K120-E141 HydrophobicContact CB-CB 3.92Å; K120-E141 HydrophobicContact CB-CG 4.01Å; K120-E141 HydrophobicContact CD-CG 4.19Å; K120-C144 HydrophobicContact CB-CB 4.09Å
121	E	92.6	Very high	93.6	Very high	89 Å²	89	41.2 Å²	41.2	42%	0.416	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-81.2	-15.4	-176.5	-60.8	179.4	-170.3	0	0	112.8	R98 A118 I119 T123	R98-E121 IonicContact CZ-OE2 3.14Å; R98-E121 IonicContact NH1-OE2 2.78Å; R98-E121 PolarHBondContact NH1-OE2 3.47Å; A118-E121 PolarHBondContact O-N 2.59Å; I119-E121 PolarHBondContact O-N 3.26Å; E121-T123 VanDerWaalsContact C-N 3.27Å; E121-T123 PolarHBondContact O-N 2.9Å; E121-T123 VanDerWaalsContact O-N 3.14Å
122	L	94.3	Very high	93.8	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	21%	0.21	C	C	.	.			trans	-89.1	46.9	-175.6	-59.4	-175.6	0	0	0	113.1	L94 C97 R98 L105 I119 K120 Q124 L125 L145	L94-L122 HydrophobicContact CB-CD1 4.39Å; L94-L122 HydrophobicContact CD2-CD1 3.54Å; C97-L122 HydrophobicContact CB-CD1 4.26Å; C97-L122 HydrophobicContact CB-CD2 4.43Å; R98-L122 HydrophobicContact CB-CD2 3.58Å; R98-L122 HydrophobicContact CG-CD2 4.12Å; L105-L122 HydrophobicContact CD2-CD1 3.82Å; I119-L122 HydrophobicContact CD1-CD1 4.07Å; I119-L122 PolarHBondContact O-N 2.95Å; I119-L122 VanDerWaalsContact O-N 3.09Å; K120-L122 VanDerWaalsContact C-N 3.34Å; L122-Q124 VanDerWaalsContact CA-OE1 3.27Å; L122-Q124 PolarHBondContact O-N 3.42Å; L122-L125 HydrophobicContact CB-CD1 3.58Å; L122-L125 HydrophobicContact CB-CG 3.89Å; L122-L125 HydrophobicContact CD1-CD1 3.88Å; L122-L125 HydrophobicContact CG-CD1 4.39Å; L122-L125 WeakPolarHBondContact O-CB 3.41Å; L122-L125 WeakPolarHBondContact O-CG 3Å; L122-L125 PolarHBondContact O-N 3.18Å; L122-L125 VanDerWaalsContact O-N 3.08Å; L122-L145 HydrophobicContact CB-CD2 4.19Å; L122-L145 WeakPolarHBondContact O-CD2 3.5Å
123	T	93.3	Very high	94	Very high	66 Å²	66	40.7 Å²	40.7	41%	0.405	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.5	-173.6	62.8	0	0	0	0	114.3	E121 L125 N147	E121-T123 VanDerWaalsContact C-N 3.27Å; E121-T123 PolarHBondContact O-N 2.9Å; E121-T123 VanDerWaalsContact O-N 3.14Å; T123-L125 VanDerWaalsContact C-N 3.29Å; T123-L125 PolarHBondContact O-N 2.88Å; T123-N147 PolarHBondContact O-ND2 2.94Å
124	Q	94.3	Very high	94.1	Very high	35 Å²	35	40.3 Å²	40.3	16%	0.164	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-15	174.5	77.6	-76.1	-0.6	0	0	114	N101 S102 L122 T126	N101-Q124 WeakPolarHBondContact OD1-CG 3.42Å; S102-Q124 WeakPolarHBondContact O-CG 3.48Å; S102-Q124 PolarHBondContact O-NE2 3.14Å; L122-Q124 VanDerWaalsContact CA-OE1 3.27Å; L122-Q124 PolarHBondContact O-N 3.42Å; Q124-T126 PolarHBondContact O-N 2.96Å
125	L	96.7	Very high	94.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.			trans	-63.9	133.2	-174.1	-73.7	175.7	0	0	0	112.6	S102 M103 L105 L122 T123 L145 N147 L148	S102-L125 WeakPolarHBondContact O-CD2 3.08Å; M103-L125 WeakPolarHBondContact O-CA 3.48Å; M103-L125 WeakPolarHBondContact O-CD2 3.24Å; L105-L125 HydrophobicContact CB-CD1 4.05Å; L105-L125 HydrophobicContact CB-CD2 3.76Å; L105-L125 HydrophobicContact CD2-CD1 4.13Å; L122-L125 HydrophobicContact CB-CD1 3.58Å; L122-L125 HydrophobicContact CB-CG 3.89Å; L122-L125 HydrophobicContact CD1-CD1 3.88Å; L122-L125 HydrophobicContact CG-CD1 4.39Å; L122-L125 WeakPolarHBondContact O-CB 3.41Å; L122-L125 WeakPolarHBondContact O-CG 3Å; L122-L125 PolarHBondContact O-N 3.18Å; L122-L125 VanDerWaalsContact O-N 3.08Å; T123-L125 VanDerWaalsContact C-N 3.29Å; T123-L125 PolarHBondContact O-N 2.88Å; L125-L145 HydrophobicContact CD1-CD1 4.47Å; L125-L145 HydrophobicContact CD1-CD2 4.35Å; L125-N147 CarbonylContact O-C 3.22Å; L125-L148 HydrophobicContact CB-CD1 4.18Å; L125-L148 WeakPolarHBondContact O-CA 2.95Å; L125-L148 PolarHBondContact O-N 3.14Å; L125-L148 VanDerWaalsContact O-N 3.17Å
126	T	97.2	Very high	94.4	Very high	31 Å²	31	39.6 Å²	39.6	19%	0.19	20%	0.203	C	C	.	.	S	Bend	trans	-107.9	-26.5	170.3	61.7	0	0	0	0	111.6	M103 Q124 M149 T150	M103-T126 HydrophobicContact CB-CG2 4.35Å; M103-T126 PolarHBondContact O-N 2.89Å; M103-T126 PolarHBondContact O-OG1 3Å; Q124-T126 PolarHBondContact O-N 2.96Å; T126-M149 WeakPolarHBondContact O-CA 3.16Å; T126-M149 PolarHBondContact O-N 2.97Å; T126-T150 PolarHBondContact O-N 3.24Å
127	E	97.8	Very high	94.6	Very high	57 Å²	57	41.8 Å²	41.8	27%	0.266	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.7	-178.6	-64.3	177.3	-170.3	0	0	111.5	M103 R104 L105 Y129	M103-E127 PolarHBondContact O-N 3.48Å; M103-E127 VanDerWaalsContact O-N 3.12Å; R104-E127 WeakPolarHBondContact CA-O 3.4Å; R104-E127 HydrophobicContact CB-CB 4.22Å; R104-E127 WeakPolarHBondContact CD-OE2 3.38Å; R104-E127 HydrophobicContact CG-CB 4.01Å; R104-E127 IonicContact CZ-OE2 2.63Å; R104-E127 IonicContact NE-OE2 3.83Å; R104-E127 IonicContact NH1-OE2 2.84Å; R104-E127 PolarHBondContact NH1-OE2 3.37Å; L105-E127 PolarHBondContact N-O 2.86Å; E127-Y129 HydrophobicContact CB-CE2 3.85Å; E127-Y129 PolarHBondContact OE2-OH 3.01Å
128	L	97.3	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	115.9	176.2	179	57.7	0	0	0	110.6	L105 L130 L145 L148 T150 L151 A152	L105-L128 HydrophobicContact CB-CD1 4.06Å; L105-L128 HydrophobicContact CD2-CD1 3.88Å; L105-L128 HydrophobicContact CG-CD1 4.02Å; L128-L130 HydrophobicContact CD1-CD1 4.33Å; L128-L130 HydrophobicContact CD1-CG 4.21Å; L128-L130 HydrophobicContact CD2-CD1 3.96Å; L128-L130 HydrophobicContact CG-CD1 3.98Å; L128-L130 HydrophobicContact CG-CG 4.2Å; L128-L145 HydrophobicContact CD2-CD1 3.89Å; L128-L148 HydrophobicContact CB-CD1 3.76Å; L128-L148 HydrophobicContact CB-CD2 4.3Å; L128-T150 PolarHBondContact N-O 2.94Å; L128-L151 HydrophobicContact CB-CD1 4.11Å; L128-L151 HydrophobicContact CD2-CD1 3.9Å; L128-L151 HydrophobicContact CG-CD1 4.04Å; L128-A152 PolarHBondContact O-N 2.78Å
129	Y	96.7	Very high	94.9	Very high	26 Å²	26	39 Å²	39	10%	0.102	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123	177.8	-59.4	-86.5	0	0	0	111.1	R104 L105 D106 L107 S108 E127 Y131 T150 A152	R104-Y129 HydrophobicContact CG-CD2 4.41Å; R104-Y129 HydrophobicContact CG-CE2 4.16Å; R104-Y129 PolarHBondContact NH1-OH 3.11Å; L105-Y129 PolarHBondContact O-N 2.8Å; D106-Y129 HydrophobicContact CB-CD2 4.5Å; L107-Y129 PolarHBondContact N-O 3.21Å; S108-Y129 PolarHBondContact OG-O 2.85Å; E127-Y129 HydrophobicContact CB-CE2 3.85Å; E127-Y129 PolarHBondContact OE2-OH 3.01Å; Y129-Y131 HydrophobicContact CD1-CD1 4.25Å; Y129-Y131 HydrophobicContact CD1-CE1 4.18Å; Y129-Y131 HydrophobicContact CG-CE1 4.44Å; Y129-T150 HydrophobicContact CE1-CG2 4.39Å; Y129-A152 HydrophobicContact CD1-CB 3.6Å; Y129-A152 HydrophobicContact CE1-CB 4.17Å; Y129-A152 HydrophobicContact CG-CB 4.46Å
130	L	95.1	Very high	95	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.			trans	-132.5	21.7	-177.3	-73.6	165.5	0	0	0	111.4	L107 L115 L128 N133 L135 L138 A152 L153 N156	L107-L130 HydrophobicContact CB-CD2 3.74Å; L107-L130 HydrophobicContact CD1-CD2 4.08Å; L115-L130 HydrophobicContact CD1-CD2 4.01Å; L115-L130 HydrophobicContact CD2-CD1 4.26Å; L128-L130 HydrophobicContact CD1-CD1 4.33Å; L128-L130 HydrophobicContact CD1-CG 4.21Å; L128-L130 HydrophobicContact CD2-CD1 3.96Å; L128-L130 HydrophobicContact CG-CD1 3.98Å; L128-L130 HydrophobicContact CG-CG 4.2Å; L130-N133 PolarHBondContact O-ND2 3.34Å; L130-L135 HydrophobicContact CB-CD1 4.13Å; L130-L135 HydrophobicContact CD1-CD1 4.26Å; L130-L135 HydrophobicContact CD2-CD1 4.32Å; L130-L135 HydrophobicContact CG-CD1 4.49Å; L130-L138 HydrophobicContact CD1-CD2 4.31Å; L130-A152 WeakPolarHBondContact CA-O 3.14Å; L130-A152 PolarHBondContact N-O 3.2Å; L130-L153 HydrophobicContact CB-CD2 3.95Å; L130-L153 HydrophobicContact CD1-CD2 3.69Å; L130-L153 HydrophobicContact CG-CD2 4.47Å; L130-N156 PolarHBondContact O-ND2 3.22Å
131	Y	93.9	Very high	95.1	Very high	40 Å²	40	39.6 Å²	39.6	16%	0.157	21%	0.21	C	C	.	.			trans	-72.4	155.7	-172.3	63.9	-96.1	0	0	0	113	S108 K109 Y129 N133 S154	S108-Y131 CarbonylContact C-O 3.17Å; S108-Y131 WeakPolarHBondContact CA-O 3.18Å; S108-Y131 VanDerWaalsContact CB-CE1 3.43Å; S108-Y131 VanDerWaalsContact CB-CE2 3.45Å; S108-Y131 VanDerWaalsContact CB-O 3.24Å; S108-Y131 WeakPolarHBondContact CB-O 3.43Å; S108-Y131 WeakPolarHBondContact OG-CD1 3.31Å; S108-Y131 WeakPolarHBondContact OG-CE1 3.18Å; S108-Y131 PolarHBondContact OG-N 3.47Å; K109-Y131 HydrophobicContact CD-CE2 4.34Å; K109-Y131 HydrophobicContact CG-CE2 4.29Å; K109-Y131 PolarHBondContact N-O 3.17Å; Y129-Y131 HydrophobicContact CD1-CD1 4.25Å; Y129-Y131 HydrophobicContact CD1-CE1 4.18Å; Y129-Y131 HydrophobicContact CG-CE1 4.44Å; Y131-N133 PolarHBondContact O-N 3.2Å; Y131-S154 CarbonylContact C-O 3.49Å; Y131-S154 WeakPolarHBondContact CA-O 3.26Å; Y131-S154 WeakPolarHBondContact CB-O 3.34Å; Y131-S154 WeakPolarHBondContact CB-OG 3.18Å
132	S	94.1	Very high	95.3	Very high	27 Å²	27	35.3 Å²	35.3	19%	0.189	19%	0.19	C	C	.	.	S	Bend	trans	55.3	48.7	-178.7	-49.3	0	0	0	0	113.3	K109 S154 E155	K109-S132 WeakPolarHBondContact CA-O 3.41Å; S132-S154 PolarHBondContact N-O 2.72Å; S132-E155 CarbonylContact C-O 3.25Å; S132-E155 VanDerWaalsContact CA-O 3.28Å; S132-E155 WeakPolarHBondContact CA-O 3.39Å; S132-E155 WeakPolarHBondContact CB-OE2 3.34Å; S132-E155 PolarHBondContact N-O 3.3Å; S132-E155 PolarHBondContact OG-OE2 2.89Å
133	N	94.5	Very high	95.3	Very high	11 Å²	11	35.3 Å²	35.3	6%	0.059	19%	0.191	C	C	.	.	S	Bend	trans	-117.3	-165.7	175.9	-81.9	-54.3	0	0	0	110.7	L107 R110 S111 I112 L130 Y131 L135 E155 N156	L107-N133 PolarHBondContact O-ND2 3.16Å; R110-N133 PolarHBondContact N-OD1 3.17Å; R110-N133 VanDerWaalsContact N-OD1 3.11Å; S111-N133 PolarHBondContact N-OD1 3.43Å; I112-N133 HydrophobicContact CB-CB 4.35Å; I112-N133 PolarHBondContact N-OD1 3.14Å; L130-N133 PolarHBondContact O-ND2 3.34Å; Y131-N133 PolarHBondContact O-N 3.2Å; N133-L135 HydrophobicContact CB-CG 4.3Å; N133-E155 PolarHBondContact N-O 2.99Å; N133-E155 VanDerWaalsContact N-O 3.14Å; N133-N156 WeakPolarHBondContact CA-OD1 3.43Å; N133-N156 WeakPolarHBondContact CB-OD1 3.11Å; N133-N156 PolarHBondContact O-OD1 3.47Å
134	K	94.4	Very high	95.4	Very high	103 Å²	103	35 Å²	35	45%	0.448	19%	0.19	S	C	.	.			trans	-122.8	28.2	-179.5	-61.8	-176.9	-179.6	179.4	0	111.8	I112 H113 Q136 N156	I112-K134 CarbonylContact O-C 3.23Å; I112-K134 VanDerWaalsContact O-C 3.23Å; I112-K134 VanDerWaalsContact O-CA 3.31Å; I112-K134 WeakPolarHBondContact O-CA 3.37Å; I112-K134 PolarHBondContact O-N 2.8Å; H113-K134 VanDerWaalsContact CE1-CD 3.48Å; H113-K134 WeakPolarHBondContact CE1-CD 3.3Å; K134-Q136 PolarHBondContact O-N 2.61Å; K134-N156 PolarHBondContact N-OD1 3Å
135	L	94.8	Very high	95.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.			trans	-65.3	129.3	-178.2	-62.4	171	0	0	0	110.1	I112 L130 N133 L138 L153 N156 S157 L158	I112-L135 HydrophobicContact CG2-CD2 3.89Å; I112-L135 PolarHBondContact O-N 3.17Å; L130-L135 HydrophobicContact CB-CD1 4.13Å; L130-L135 HydrophobicContact CD1-CD1 4.26Å; L130-L135 HydrophobicContact CD2-CD1 4.32Å; L130-L135 HydrophobicContact CG-CD1 4.49Å; N133-L135 HydrophobicContact CB-CG 4.3Å; L135-L138 HydrophobicContact CD1-CD2 4.18Å; L135-L153 HydrophobicContact CD1-CD2 4.46Å; L135-N156 HydrophobicContact CB-CB 4.3Å; L135-N156 VanDerWaalsContact CB-OD1 3.31Å; L135-N156 WeakPolarHBondContact CB-OD1 3.13Å; L135-N156 WeakPolarHBondContact CG-OD1 3.38Å; L135-N156 PolarHBondContact N-OD1 3.15Å; L135-S157 CarbonylContact O-C 3.58Å; L135-S157 VanDerWaalsContact O-CA 3.24Å; L135-S157 WeakPolarHBondContact O-CA 3.33Å; L135-S157 PolarHBondContact O-N 3.17Å; L135-L158 HydrophobicContact CB-CD2 4.07Å; L135-L158 PolarHBondContact O-N 3.44Å
136	Q	94.2	Very high	95.4	Very high	132 Å²	132	36.6 Å²	36.6	62%	0.617	20%	0.202	S	C	*	.	S	Bend	trans	-96.4	-29.1	173.5	-64.1	-177.9	16.3	0	0	112.2	K134 L158 T159	K134-Q136 PolarHBondContact O-N 2.61Å; Q136-L158 WeakPolarHBondContact O-CA 3.44Å; Q136-T159 PolarHBondContact O-N 3.45Å
137	S	94.7	Very high	95.4	Very high	61 Å²	61	37.4 Å²	37.4	43%	0.427	21%	0.205	S	C	.	.			trans	-148.7	167.4	175.8	59.8	0	0	0	0	110
138	L	95.6	Very high	95.4	Very high	9 Å²	9	34.7 Å²	34.7	5%	0.047	19%	0.193	C	C	.	.			trans	-105.5	144.1	167.2	-68.5	177.2	0	0	0	110.3	L130 L135 V142 L153 L158 L161 P162	L130-L138 HydrophobicContact CD1-CD2 4.31Å; L135-L138 HydrophobicContact CD1-CD2 4.18Å; L138-V142 HydrophobicContact CB-CG2 4.38Å; L138-L153 HydrophobicContact CD1-CD1 3.64Å; L138-L153 HydrophobicContact CD1-CD2 3.86Å; L138-L153 HydrophobicContact CD1-CG 4.4Å; L138-L153 HydrophobicContact CD2-CD2 3.79Å; L138-L153 HydrophobicContact CG-CD2 4.26Å; L138-L158 HydrophobicContact CG-CD2 4.38Å; L138-L161 HydrophobicContact CD1-CD2 3.79Å; L138-L161 HydrophobicContact CG-CD2 4.5Å; L138-P162 HydrophobicContact CB-CG 4.05Å; L138-P162 WeakPolarHBondContact O-CG 3.35Å
139	P	94.9	Very high	95.4	Very high	26 Å²	26	38 Å²	38	17%	0.169	21%	0.209	C	C	.	.			trans	-70.1	151.2	173.5	32.5	-36.3	0	0	0	110.5	L115 I119 E141 V142	L115-P139 HydrophobicContact CB-CG 3.95Å; L115-P139 HydrophobicContact CD2-CG 4.21Å; L115-P139 HydrophobicContact CG-CG 4.37Å; I119-P139 HydrophobicContact CG2-CG 4.4Å; P139-E141 WeakPolarHBondContact CB-OE2 3.09Å; P139-E141 PolarHBondContact O-N 3.23Å; P139-E141 VanDerWaalsContact O-N 3.17Å; P139-V142 HydrophobicContact CG-CG2 4.08Å; P139-V142 PolarHBondContact O-N 3.37Å
140	A	95.3	Very high	95.5	Very high	57 Å²	57	37.8 Å²	37.8	47%	0.471	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-62.7	-24.3	-178.6	0	0	0	0	0	112.5	V142 G143 S164	A140-V142 PolarHBondContact O-N 2.78Å; A140-V142 VanDerWaalsContact O-N 3.16Å; A140-G143 PolarHBondContact O-N 2.99Å; A140-S164 VanDerWaalsContact CA-OG 3.3Å; A140-S164 WeakPolarHBondContact CA-OG 3.43Å; A140-S164 WeakPolarHBondContact O-CB 3.3Å; A140-S164 PolarHBondContact O-OG 2.81Å
141	E	96.3	Very high	95.6	Very high	59 Å²	59	37.8 Å²	37.8	28%	0.276	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-59.8	-19.8	176.8	-72.9	85.8	169	0	0	114.5	S117 I119 K120 P139 G143 C144	S117-E141 WeakPolarHBondContact CB-OE1 3.14Å; I119-E141 HydrophobicContact CG2-CB 3.73Å; K120-E141 HydrophobicContact CB-CB 3.92Å; K120-E141 HydrophobicContact CB-CG 4.01Å; K120-E141 HydrophobicContact CD-CG 4.19Å; P139-E141 WeakPolarHBondContact CB-OE2 3.09Å; P139-E141 PolarHBondContact O-N 3.23Å; P139-E141 VanDerWaalsContact O-N 3.17Å; E141-G143 PolarHBondContact O-N 2.83Å; E141-C144 WeakPolarHBondContact O-CB 3.27Å; E141-C144 PolarHBondContact O-N 3.4Å
142	V	95.8	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-59.7	-28.7	171.5	174.8	0	0	0	0	111.2	L115 I119 L138 P139 A140 C144 L145 L165	L115-V142 HydrophobicContact CD2-CG2 3.84Å; I119-V142 HydrophobicContact CG2-CG2 4.4Å; L138-V142 HydrophobicContact CB-CG2 4.38Å; P139-V142 HydrophobicContact CG-CG2 4.08Å; P139-V142 PolarHBondContact O-N 3.37Å; A140-V142 PolarHBondContact O-N 2.78Å; A140-V142 VanDerWaalsContact O-N 3.16Å; V142-C144 PolarHBondContact O-N 3.38Å; V142-L145 HydrophobicContact CG1-CD1 4.34Å; V142-L145 WeakPolarHBondContact O-CB 3.33Å; V142-L145 WeakPolarHBondContact O-CG 3.43Å; V142-L145 PolarHBondContact O-N 3.33Å; V142-L165 HydrophobicContact CB-CD1 4.37Å; V142-L165 HydrophobicContact CG1-CD1 4.14Å
143	G	94.1	Very high	95.9	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.021	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-63.3	-17.9	175.3	0	0	0	0	0	114.6	A140 E141 L145 S164 N167	A140-G143 PolarHBondContact O-N 2.99Å; E141-G143 PolarHBondContact O-N 2.83Å; G143-L145 PolarHBondContact O-N 2.92Å; G143-S164 WeakPolarHBondContact CA-O 3.06Å; G143-N167 VanDerWaalsContact O-CB 3.27Å; G143-N167 WeakPolarHBondContact O-CB 3.35Å
144	C	95.9	Very high	95.9	Very high	58 Å²	58	34.7 Å²	34.7	39%	0.392	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-75.4	-12.6	176.7	-61.1	0	0	0	0	113.2	K120 E141 V142 V146	K120-C144 HydrophobicContact CB-CB 4.09Å; E141-C144 WeakPolarHBondContact O-CB 3.27Å; E141-C144 PolarHBondContact O-N 3.4Å; V142-C144 PolarHBondContact O-N 3.38Å; C144-V146 PolarHBondContact O-N 2.77Å
145	L	96.1	Very high	96	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.			trans	-78.9	55.6	-177.5	-55.2	-179.9	0	0	0	112.1	I119 L122 L125 L128 V142 G143 N147 L148 L168	I119-L145 HydrophobicContact CG1-CD1 4.05Å; I119-L145 HydrophobicContact CG1-CD2 4.46Å; I119-L145 WeakPolarHBondContact O-CD2 3.31Å; L122-L145 HydrophobicContact CB-CD2 4.19Å; L122-L145 WeakPolarHBondContact O-CD2 3.5Å; L125-L145 HydrophobicContact CD1-CD1 4.47Å; L125-L145 HydrophobicContact CD1-CD2 4.35Å; L128-L145 HydrophobicContact CD2-CD1 3.89Å; V142-L145 HydrophobicContact CG1-CD1 4.34Å; V142-L145 WeakPolarHBondContact O-CB 3.33Å; V142-L145 WeakPolarHBondContact O-CG 3.43Å; V142-L145 PolarHBondContact O-N 3.33Å; G143-L145 PolarHBondContact O-N 2.92Å; L145-N147 PolarHBondContact O-N 2.96Å; L145-L148 HydrophobicContact CB-CB 4.17Å; L145-L148 HydrophobicContact CD1-CD2 4.43Å; L145-L148 WeakPolarHBondContact O-CB 3.49Å; L145-L148 PolarHBondContact O-N 3.04Å; L145-L168 HydrophobicContact CB-CD2 4.15Å; L145-L168 WeakPolarHBondContact O-CD2 3.38Å
146	V	95.3	Very high	96.1	Very high	69 Å²	69	34.8 Å²	34.8	42%	0.418	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.8	-169.1	-63.1	0	0	0	0	115.6	C144	C144-V146 PolarHBondContact O-N 2.77Å
147	N	96.4	Very high	96.2	Very high	48 Å²	48	29.9 Å²	29.9	26%	0.257	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.4	176.4	-67.9	-52	0	0	0	114.4	T123 L125 L145 M149 K170	T123-N147 PolarHBondContact O-ND2 2.94Å; L125-N147 CarbonylContact O-C 3.22Å; L145-N147 PolarHBondContact O-N 2.96Å; N147-M149 PolarHBondContact O-N 3.05Å; N147-K170 PolarHBondContact OD1-NZ 2.98Å
148	L	97.7	Very high	96.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.			trans	-65.2	126.2	-174.4	-158.5	72.9	0	0	0	111.1	L125 L128 L145 L151 L168 K170 L171	L125-L148 HydrophobicContact CB-CD1 4.18Å; L125-L148 WeakPolarHBondContact O-CA 2.95Å; L125-L148 PolarHBondContact O-N 3.14Å; L125-L148 VanDerWaalsContact O-N 3.17Å; L128-L148 HydrophobicContact CB-CD1 3.76Å; L128-L148 HydrophobicContact CB-CD2 4.3Å; L145-L148 HydrophobicContact CB-CB 4.17Å; L145-L148 HydrophobicContact CD1-CD2 4.43Å; L145-L148 WeakPolarHBondContact O-CB 3.49Å; L145-L148 PolarHBondContact O-N 3.04Å; L148-L151 HydrophobicContact CD2-CB 3.87Å; L148-L151 HydrophobicContact CD2-CD1 4.17Å; L148-L151 HydrophobicContact CD2-CD2 4.34Å; L148-L151 HydrophobicContact CD2-CG 4.35Å; L148-L168 HydrophobicContact CB-CD2 4.41Å; L148-L168 HydrophobicContact CD2-CD1 4.16Å; L148-K170 CarbonylContact O-C 3.58Å; L148-K170 VanDerWaalsContact O-C 3.25Å; L148-L171 HydrophobicContact CB-CD1 4.39Å; L148-L171 HydrophobicContact CD2-CD1 4.09Å; L148-L171 HydrophobicContact CG-CD1 4.09Å; L148-L171 VanDerWaalsContact O-CA 3.26Å; L148-L171 WeakPolarHBondContact O-CA 3.37Å; L148-L171 PolarHBondContact O-N 2.86Å; L148-L171 VanDerWaalsContact O-N 3.14Å
149	M	97.9	Very high	96.3	Very high	69 Å²	69	30.8 Å²	30.8	34%	0.34	18%	0.182	S	C	.	.			trans	-107.8	-30.5	176.8	-62.1	-169.9	-172.6	0	0	111.9	T126 N147 R172 M173	T126-M149 WeakPolarHBondContact O-CA 3.16Å; T126-M149 PolarHBondContact O-N 2.97Å; N147-M149 PolarHBondContact O-N 3.05Å; M149-R172 PolarHBondContact O-N 2.61Å; M149-M173 PolarHBondContact O-N 2.91Å
150	T	97.9	Very high	96.3	Very high	23 Å²	23	32.4 Å²	32.4	14%	0.141	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.3	-179.8	-64	0	0	0	0	110.9	T126 L128 Y129 M173	T126-T150 PolarHBondContact O-N 3.24Å; L128-T150 PolarHBondContact N-O 2.94Å; Y129-T150 HydrophobicContact CE1-CG2 4.39Å; T150-M173 HydrophobicContact CG2-CB 4.35Å; T150-M173 HydrophobicContact CG2-CE 3.85Å; T150-M173 HydrophobicContact CG2-SD 4.06Å
151	L	97.8	Very high	96.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	111.4	174.5	-179.9	54.3	0	0	0	109.6	L128 L148 L153 L165 L171 M173 L174 D175	L128-L151 HydrophobicContact CB-CD1 4.11Å; L128-L151 HydrophobicContact CD2-CD1 3.9Å; L128-L151 HydrophobicContact CG-CD1 4.04Å; L148-L151 HydrophobicContact CD2-CB 3.87Å; L148-L151 HydrophobicContact CD2-CD1 4.17Å; L148-L151 HydrophobicContact CD2-CD2 4.34Å; L148-L151 HydrophobicContact CD2-CG 4.35Å; L151-L153 HydrophobicContact CD1-CD1 4.17Å; L151-L153 HydrophobicContact CD1-CD2 4.24Å; L151-L153 HydrophobicContact CD1-CG 4.02Å; L151-L153 HydrophobicContact CD2-CD1 3.88Å; L151-L153 HydrophobicContact CG-CD1 3.73Å; L151-L153 HydrophobicContact CG-CG 3.99Å; L151-L165 HydrophobicContact CD2-CD2 4.17Å; L151-L171 HydrophobicContact CB-CD1 3.84Å; L151-M173 PolarHBondContact N-O 3.44Å; L151-L174 HydrophobicContact CB-CD1 4.08Å; L151-L174 HydrophobicContact CD2-CD1 3.97Å; L151-L174 HydrophobicContact CG-CD1 4.01Å; L151-D175 PolarHBondContact O-N 3.46Å
152	A	97.3	Very high	96.4	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.025	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.5	-179.2	0	0	0	0	0	111.7	L128 Y129 L130 D175	L128-A152 PolarHBondContact O-N 2.78Å; Y129-A152 HydrophobicContact CD1-CB 3.6Å; Y129-A152 HydrophobicContact CE1-CB 4.17Å; Y129-A152 HydrophobicContact CG-CB 4.46Å; L130-A152 WeakPolarHBondContact CA-O 3.14Å; L130-A152 PolarHBondContact N-O 3.2Å; A152-D175 HydrophobicContact CB-CB 4.38Å
153	L	96.4	Very high	96.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.196	C	C	.	.			trans	-124.3	18.4	-173.2	-65.3	160.2	0	0	0	112.2	L130 L135 L138 L151 N156 L158 L161 L174 D175 L176 N179	L130-L153 HydrophobicContact CB-CD2 3.95Å; L130-L153 HydrophobicContact CD1-CD2 3.69Å; L130-L153 HydrophobicContact CG-CD2 4.47Å; L135-L153 HydrophobicContact CD1-CD2 4.46Å; L138-L153 HydrophobicContact CD1-CD1 3.64Å; L138-L153 HydrophobicContact CD1-CD2 3.86Å; L138-L153 HydrophobicContact CD1-CG 4.4Å; L138-L153 HydrophobicContact CD2-CD2 3.79Å; L138-L153 HydrophobicContact CG-CD2 4.26Å; L151-L153 HydrophobicContact CD1-CD1 4.17Å; L151-L153 HydrophobicContact CD1-CD2 4.24Å; L151-L153 HydrophobicContact CD1-CG 4.02Å; L151-L153 HydrophobicContact CD2-CD1 3.88Å; L151-L153 HydrophobicContact CG-CD1 3.73Å; L151-L153 HydrophobicContact CG-CG 3.99Å; L153-N156 PolarHBondContact O-ND2 3.41Å; L153-L158 HydrophobicContact CB-CD1 3.86Å; L153-L158 HydrophobicContact CD1-CD1 4.14Å; L153-L158 HydrophobicContact CD2-CD1 4.3Å; L153-L158 HydrophobicContact CG-CD1 4.34Å; L153-L161 HydrophobicContact CD1-CD2 4.21Å; L153-L174 HydrophobicContact CD1-CD1 4.23Å; L153-D175 CarbonylContact C-O 3.3Å; L153-D175 WeakPolarHBondContact CA-O 3.44Å; L153-D175 WeakPolarHBondContact CB-O 3.24Å; L153-D175 PolarHBondContact N-O 3.36Å; L153-L176 HydrophobicContact CB-CD2 4.1Å; L153-L176 HydrophobicContact CD1-CD2 3.71Å; L153-N179 PolarHBondContact O-ND2 2.97Å
154	S	96.1	Very high	96.4	Very high	10 Å²	10	34.7 Å²	34.7	7%	0.07	20%	0.203	C	C	.	.			trans	-63.6	153.1	-176.1	36.7	0	0	0	0	113.2	Y131 S132 N156 D175 R177	Y131-S154 CarbonylContact C-O 3.49Å; Y131-S154 WeakPolarHBondContact CA-O 3.26Å; Y131-S154 WeakPolarHBondContact CB-O 3.34Å; Y131-S154 WeakPolarHBondContact CB-OG 3.18Å; S132-S154 PolarHBondContact N-O 2.72Å; S154-N156 PolarHBondContact O-ND2 3.17Å; S154-D175 WeakPolarHBondContact CB-OD2 3.49Å; S154-D175 PolarHBondContact N-O 3.1Å; S154-D175 PolarHBondContact OG-OD2 3.03Å; S154-R177 CarbonylContact C-O 3.33Å; S154-R177 WeakPolarHBondContact CA-O 3.19Å
155	E	95.9	Very high	96.5	Very high	92 Å²	92	31.9 Å²	31.9	43%	0.43	18%	0.184	S	C	.	.	S	Bend	trans	55.7	56.6	179.5	-60.9	175.4	-152.3	0	0	112.7	S132 N133 R177 H178	S132-E155 CarbonylContact C-O 3.25Å; S132-E155 VanDerWaalsContact CA-O 3.28Å; S132-E155 WeakPolarHBondContact CA-O 3.39Å; S132-E155 WeakPolarHBondContact CB-OE2 3.34Å; S132-E155 PolarHBondContact N-O 3.3Å; S132-E155 PolarHBondContact OG-OE2 2.89Å; N133-E155 PolarHBondContact N-O 2.99Å; N133-E155 VanDerWaalsContact N-O 3.14Å; E155-R177 PolarHBondContact N-O 3.18Å; E155-H178 VanDerWaalsContact CA-O 3.32Å; E155-H178 WeakPolarHBondContact CA-O 3.29Å; E155-H178 HydrophobicContact CB-CB 4.39Å; E155-H178 HydrophobicContact CG-CB 3.91Å; E155-H178 PolarHBondContact N-O 3.45Å
156	N	96.2	Very high	96.4	Very high	12 Å²	12	34 Å²	34	6%	0.064	20%	0.196	C	C	.	.	S	Bend	trans	-125.9	-164.4	174.3	-85	-76.9	0	0	0	110.2	L130 N133 K134 L135 L153 S154 L158 H178 N179	L130-N156 PolarHBondContact O-ND2 3.22Å; N133-N156 WeakPolarHBondContact CA-OD1 3.43Å; N133-N156 WeakPolarHBondContact CB-OD1 3.11Å; N133-N156 PolarHBondContact O-OD1 3.47Å; K134-N156 PolarHBondContact N-OD1 3Å; L135-N156 HydrophobicContact CB-CB 4.3Å; L135-N156 VanDerWaalsContact CB-OD1 3.31Å; L135-N156 WeakPolarHBondContact CB-OD1 3.13Å; L135-N156 WeakPolarHBondContact CG-OD1 3.38Å; L135-N156 PolarHBondContact N-OD1 3.15Å; L153-N156 PolarHBondContact O-ND2 3.41Å; S154-N156 PolarHBondContact O-ND2 3.17Å; N156-L158 HydrophobicContact CB-CG 4.17Å; N156-H178 PolarHBondContact N-O 2.93Å; N156-N179 WeakPolarHBondContact CA-OD1 3.45Å; N156-N179 WeakPolarHBondContact CB-OD1 3.28Å; N156-N179 PolarHBondContact O-OD1 3.32Å
157	S	96.3	Very high	96.4	Very high	30 Å²	30	34.7 Å²	34.7	21%	0.21	20%	0.197	C	C	.	.			trans	-120.7	30.4	175.3	-77	0	0	0	0	111.9	L135 T159 N179 K180	L135-S157 CarbonylContact O-C 3.58Å; L135-S157 VanDerWaalsContact O-CA 3.24Å; L135-S157 WeakPolarHBondContact O-CA 3.33Å; L135-S157 PolarHBondContact O-N 3.17Å; S157-T159 PolarHBondContact O-N 3.5Å; S157-N179 PolarHBondContact N-OD1 3.11Å; S157-K180 PolarHBondContact OG-NZ 2.81Å; S157-K180 VanDerWaalsContact OG-NZ 3.08Å
158	L	96.4	Very high	96.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.185	C	C	.	.			trans	-64.2	133.7	-177	-62.1	172.1	0	0	0	111.2	L135 Q136 L138 L153 N156 L161 L176 N179 K180 L181	L135-L158 HydrophobicContact CB-CD2 4.07Å; L135-L158 PolarHBondContact O-N 3.44Å; Q136-L158 WeakPolarHBondContact O-CA 3.44Å; L138-L158 HydrophobicContact CG-CD2 4.38Å; L153-L158 HydrophobicContact CB-CD1 3.86Å; L153-L158 HydrophobicContact CD1-CD1 4.14Å; L153-L158 HydrophobicContact CD2-CD1 4.3Å; L153-L158 HydrophobicContact CG-CD1 4.34Å; N156-L158 HydrophobicContact CB-CG 4.17Å; L158-L161 HydrophobicContact CD1-CD2 4.38Å; L158-L176 HydrophobicContact CD1-CD2 4.12Å; L158-N179 HydrophobicContact CB-CB 4.25Å; L158-N179 VanDerWaalsContact CB-OD1 3.28Å; L158-N179 WeakPolarHBondContact CB-OD1 3.14Å; L158-N179 WeakPolarHBondContact CG-OD1 3.46Å; L158-N179 PolarHBondContact N-OD1 3.42Å; L158-K180 CarbonylContact O-C 3.12Å; L158-K180 VanDerWaalsContact O-C 3.32Å; L158-K180 WeakPolarHBondContact O-CA 3.38Å; L158-K180 PolarHBondContact O-N 3.12Å; L158-L181 PolarHBondContact O-N 3.08Å
159	T	95.5	Very high	96.3	Very high	89 Å²	89	38.2 Å²	38.2	55%	0.546	21%	0.21	S	C	.	.	S	Bend	trans	-110.8	-19.2	172.5	53.7	0	0	0	0	113.1	Q136 S157 K180	Q136-T159 PolarHBondContact O-N 3.45Å; S157-T159 PolarHBondContact O-N 3.5Å; T159-K180 HydrophobicContact CG2-CB 4.09Å
160	S	95.8	Very high	96.3	Very high	60 Å²	60	39.8 Å²	39.8	42%	0.42	22%	0.215	S	C	.	.			trans	-154.9	172.9	177.8	60.9	0	0	0	0	110.8
161	L	96.7	Very high	96.3	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.068	21%	0.208	C	C	.	.			trans	-124.7	146.5	171.5	-65.7	172.7	0	0	0	109	L138 L153 L158 L165 L176 P185 V187 V188	L138-L161 HydrophobicContact CD1-CD2 3.79Å; L138-L161 HydrophobicContact CG-CD2 4.5Å; L153-L161 HydrophobicContact CD1-CD2 4.21Å; L158-L161 HydrophobicContact CD1-CD2 4.38Å; L161-L165 HydrophobicContact CB-CD2 4.32Å; L161-L165 HydrophobicContact CD1-CD2 4.13Å; L161-L165 HydrophobicContact CD2-CD2 4.38Å; L161-L176 HydrophobicContact CD1-CD1 3.89Å; L161-L176 HydrophobicContact CD1-CD2 4.09Å; L161-L176 HydrophobicContact CD2-CD2 4.08Å; L161-L176 HydrophobicContact CG-CD2 4.5Å; L161-P185 HydrophobicContact CB-CB 4.25Å; L161-P185 HydrophobicContact CB-CG 4.38Å; L161-P185 HydrophobicContact CD1-CB 4.49Å; L161-P185 HydrophobicContact CD1-CG 4.18Å; L161-P185 HydrophobicContact CG-CG 4.14Å; L161-V187 HydrophobicContact CB-CG1 3.75Å; L161-V187 HydrophobicContact CD1-CG1 4.49Å; L161-V188 HydrophobicContact CD1-CG2 3.83Å
162	P	96	Very high	96.3	Very high	25 Å²	25	46.2 Å²	46.2	16%	0.162	24%	0.237	C	C	.	.			trans	-72	145.9	179.7	27.8	-32.5	0	0	0	111.5	L138 S164 L165	L138-P162 HydrophobicContact CB-CG 4.05Å; L138-P162 WeakPolarHBondContact O-CG 3.35Å; P162-S164 PolarHBondContact O-N 2.93Å; P162-S164 VanDerWaalsContact O-N 3.17Å; P162-L165 HydrophobicContact CG-CD1 3.47Å; P162-L165 VanDerWaalsContact CG-CD1 3.47Å; P162-L165 PolarHBondContact O-N 3.38Å; P162-L165 VanDerWaalsContact O-N 3.15Å
163	D	95.6	Very high	96.3	Very high	102 Å²	102	47.6 Å²	47.6	55%	0.545	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-60.4	-28.4	-176.3	-76.2	-48.9	0	0	0	113.8	L165 D166 V187 R190	D163-L165 PolarHBondContact O-N 3.25Å; D163-L165 VanDerWaalsContact O-N 3.12Å; D163-D166 PolarHBondContact O-N 2.74Å; D163-D166 VanDerWaalsContact O-N 3.17Å; D163-D166 VanDerWaalsContact O-OD1 3.07Å; D163-V187 VanDerWaalsContact O-CG2 3.3Å; D163-V187 WeakPolarHBondContact O-CG2 3.38Å; D163-R190 IonicContact OD1-CZ 2.74Å; D163-R190 IonicContact OD1-NH2 3.38Å; D163-R190 PolarHBondContact OD1-NH2 3.22Å
164	S	95.9	Very high	96.4	Very high	25 Å²	25	47.6 Å²	47.6	18%	0.175	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-64.3	-11.6	178.6	59.3	0	0	0	0	114.5	A140 G143 P162 D166 N167	A140-S164 VanDerWaalsContact CA-OG 3.3Å; A140-S164 WeakPolarHBondContact CA-OG 3.43Å; A140-S164 WeakPolarHBondContact O-CB 3.3Å; A140-S164 PolarHBondContact O-OG 2.81Å; G143-S164 WeakPolarHBondContact CA-O 3.06Å; P162-S164 PolarHBondContact O-N 2.93Å; P162-S164 VanDerWaalsContact O-N 3.17Å; S164-D166 PolarHBondContact O-N 2.73Å; S164-N167 WeakPolarHBondContact O-CB 3.32Å; S164-N167 PolarHBondContact O-N 3.38Å; S164-N167 PolarHBondContact O-ND2 3.01Å
165	L	96.3	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-59.4	-22.8	171.2	-102	75.3	0	0	0	111.8	V142 L151 L161 P162 D163 N167 L168 V187 L191	V142-L165 HydrophobicContact CB-CD1 4.37Å; V142-L165 HydrophobicContact CG1-CD1 4.14Å; L151-L165 HydrophobicContact CD2-CD2 4.17Å; L161-L165 HydrophobicContact CB-CD2 4.32Å; L161-L165 HydrophobicContact CD1-CD2 4.13Å; L161-L165 HydrophobicContact CD2-CD2 4.38Å; P162-L165 HydrophobicContact CG-CD1 3.47Å; P162-L165 VanDerWaalsContact CG-CD1 3.47Å; P162-L165 PolarHBondContact O-N 3.38Å; P162-L165 VanDerWaalsContact O-N 3.15Å; D163-L165 PolarHBondContact O-N 3.25Å; D163-L165 VanDerWaalsContact O-N 3.12Å; L165-N167 PolarHBondContact O-N 3.28Å; L165-N167 VanDerWaalsContact O-N 3.1Å; L165-L168 HydrophobicContact CG-CD1 4.02Å; L165-L168 VanDerWaalsContact O-CB 3.29Å; L165-L168 WeakPolarHBondContact O-CB 3.4Å; L165-L168 VanDerWaalsContact O-CG 3.3Å; L165-L168 WeakPolarHBondContact O-CG 3.3Å; L165-L168 PolarHBondContact O-N 2.68Å; L165-V187 HydrophobicContact CB-CG2 3.68Å; L165-L191 VanDerWaalsContact O-CD2 3.24Å; L165-L191 WeakPolarHBondContact O-CD2 3.24Å
166	D	95.4	Very high	96.6	Very high	45 Å²	45	42.8 Å²	42.8	24%	0.241	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-59.4	-20.2	177	68.8	-9.2	0	0	0	113.8	D163 S164 L168 K169 V187 R190	D163-D166 PolarHBondContact O-N 2.74Å; D163-D166 VanDerWaalsContact O-N 3.17Å; D163-D166 VanDerWaalsContact O-OD1 3.07Å; S164-D166 PolarHBondContact O-N 2.73Å; D166-L168 PolarHBondContact O-N 3.21Å; D166-K169 WeakPolarHBondContact O-CD 3.44Å; D166-K169 WeakPolarHBondContact O-CE 3.1Å; D166-K169 PolarHBondContact O-NZ 3.01Å; D166-V187 HydrophobicContact CB-CG2 4.08Å; D166-R190 HydrophobicContact CB-CB 4.2Å; D166-R190 IonicContact OD2-NE 2.77Å
167	N	95.4	Very high	96.6	Very high	83 Å²	83	43.5 Å²	43.5	44%	0.444	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-69	-16.1	173.4	-70.7	-44.1	0	0	0	113.6	G143 S164 L165 K169	G143-N167 VanDerWaalsContact O-CB 3.27Å; G143-N167 WeakPolarHBondContact O-CB 3.35Å; S164-N167 WeakPolarHBondContact O-CB 3.32Å; S164-N167 PolarHBondContact O-N 3.38Å; S164-N167 PolarHBondContact O-ND2 3.01Å; L165-N167 PolarHBondContact O-N 3.28Å; L165-N167 VanDerWaalsContact O-N 3.1Å; N167-K169 PolarHBondContact O-N 3.37Å
168	L	96.4	Very high	96.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.			trans	-78.8	61.3	-177.5	-54.3	-175.6	0	0	0	112.1	L145 L148 L165 D166 K170 L171 L191	L145-L168 HydrophobicContact CB-CD2 4.15Å; L145-L168 WeakPolarHBondContact O-CD2 3.38Å; L148-L168 HydrophobicContact CB-CD2 4.41Å; L148-L168 HydrophobicContact CD2-CD1 4.16Å; L165-L168 HydrophobicContact CG-CD1 4.02Å; L165-L168 VanDerWaalsContact O-CB 3.29Å; L165-L168 WeakPolarHBondContact O-CB 3.4Å; L165-L168 VanDerWaalsContact O-CG 3.3Å; L165-L168 WeakPolarHBondContact O-CG 3.3Å; L165-L168 PolarHBondContact O-N 2.68Å; D166-L168 PolarHBondContact O-N 3.21Å; L168-K170 PolarHBondContact O-N 2.82Å; L168-L171 HydrophobicContact CB-CB 4.1Å; L168-L171 WeakPolarHBondContact O-CB 3.28Å; L168-L171 PolarHBondContact O-N 3.23Å; L168-L191 HydrophobicContact CB-CD2 4.5Å
169	K	95.3	Very high	96.6	Very high	122 Å²	122	46.4 Å²	46.4	53%	0.53	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-5	-175.1	-55.9	-54.5	-173.4	-165.6	0	115.1	D166 N167 S193	D166-K169 WeakPolarHBondContact O-CD 3.44Å; D166-K169 WeakPolarHBondContact O-CE 3.1Å; D166-K169 PolarHBondContact O-NZ 3.01Å; N167-K169 PolarHBondContact O-N 3.37Å; K169-S193 WeakPolarHBondContact O-CB 3.36Å; K169-S193 PolarHBondContact O-OG 2.63Å
170	K	97.3	Very high	96.7	Very high	102 Å²	102	46.3 Å²	46.3	44%	0.443	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-1.1	175.3	-64.2	-173.9	-171.5	171.1	0	113.1	N147 L148 L168 R172	N147-K170 PolarHBondContact OD1-NZ 2.98Å; L148-K170 CarbonylContact O-C 3.58Å; L148-K170 VanDerWaalsContact O-C 3.25Å; L168-K170 PolarHBondContact O-N 2.82Å; K170-R172 PolarHBondContact O-N 2.8Å
171	L	97.8	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.			trans	-66.8	120.7	-175.7	-163.9	73.9	0	0	0	110.5	L148 L151 L168 L174 L191 S193 L194	L148-L171 HydrophobicContact CB-CD1 4.39Å; L148-L171 HydrophobicContact CD2-CD1 4.09Å; L148-L171 HydrophobicContact CG-CD1 4.09Å; L148-L171 VanDerWaalsContact O-CA 3.26Å; L148-L171 WeakPolarHBondContact O-CA 3.37Å; L148-L171 PolarHBondContact O-N 2.86Å; L148-L171 VanDerWaalsContact O-N 3.14Å; L151-L171 HydrophobicContact CB-CD1 3.84Å; L168-L171 HydrophobicContact CB-CB 4.1Å; L168-L171 WeakPolarHBondContact O-CB 3.28Å; L168-L171 PolarHBondContact O-N 3.23Å; L171-L174 HydrophobicContact CD2-CB 4.2Å; L171-L174 HydrophobicContact CD2-CD1 4.48Å; L171-L191 HydrophobicContact CD2-CD1 4.02Å; L171-S193 PolarHBondContact N-OG 3.09Å; L171-S193 CarbonylContact O-C 3.47Å; L171-S193 WeakPolarHBondContact O-CB 3.5Å; L171-S193 VanDerWaalsContact O-O 3.11Å; L171-S193 PolarHBondContact O-OG 2.82Å; L171-L194 HydrophobicContact CD2-CD1 4.28Å; L171-L194 HydrophobicContact CG-CD1 4.33Å; L171-L194 WeakPolarHBondContact O-CA 3.41Å; L171-L194 PolarHBondContact O-N 3Å
172	R	97.8	Very high	96.7	Very high	158 Å²	158	51.8 Å²	51.8	60%	0.596	23%	0.234	S	C	*	.			trans	-104.8	-34.7	-179.8	-64	-176.4	-179	-171.3	-0.9	112.2	M149 K170 L194 A195 T196	M149-R172 PolarHBondContact O-N 2.61Å; K170-R172 PolarHBondContact O-N 2.8Å; R172-L194 WeakPolarHBondContact O-CD1 2.9Å; R172-A195 PolarHBondContact O-N 3.03Å; R172-T196 PolarHBondContact O-N 3.49Å
173	M	98.1	Very high	96.7	Very high	31 Å²	31	55.8 Å²	55.8	15%	0.153	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.2	-178.5	-177.4	-174.4	128	0	0	111	I72 M149 T150 L151 D175 T196	I72-M173 HydrophobicContact CD1-CE 3.66Å; I72-M173 HydrophobicContact CG1-CE 3.81Å; I72-M173 HydrophobicContact CG1-SD 4.32Å; M149-M173 PolarHBondContact O-N 2.91Å; T150-M173 HydrophobicContact CG2-CB 4.35Å; T150-M173 HydrophobicContact CG2-CE 3.85Å; T150-M173 HydrophobicContact CG2-SD 4.06Å; L151-M173 PolarHBondContact N-O 3.44Å; M173-D175 HydrophobicContact CE-CB 4.04Å; M173-T196 WeakPolarHBondContact CA-O 3.35Å; M173-T196 HydrophobicContact CG-CG2 4.28Å
174	L	98.1	Very high	96.8	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	115	173.4	180	57.4	0	0	0	109.3	L151 L153 L171 L176 V188 L191 L194 T196 L197 Y198	L151-L174 HydrophobicContact CB-CD1 4.08Å; L151-L174 HydrophobicContact CD2-CD1 3.97Å; L151-L174 HydrophobicContact CG-CD1 4.01Å; L153-L174 HydrophobicContact CD1-CD1 4.23Å; L171-L174 HydrophobicContact CD2-CB 4.2Å; L171-L174 HydrophobicContact CD2-CD1 4.48Å; L174-L176 HydrophobicContact CD1-CD1 4.35Å; L174-L176 HydrophobicContact CD1-CD2 4.37Å; L174-L176 HydrophobicContact CD1-CG 4.11Å; L174-L176 HydrophobicContact CD2-CD1 3.82Å; L174-L176 HydrophobicContact CD2-CG 4.46Å; L174-L176 HydrophobicContact CG-CD1 3.87Å; L174-L176 HydrophobicContact CG-CG 3.99Å; L174-V188 HydrophobicContact CD2-CG1 4.37Å; L174-V188 HydrophobicContact CD2-CG2 4.13Å; L174-L191 HydrophobicContact CD2-CD1 4.01Å; L174-L194 HydrophobicContact CB-CD1 3.74Å; L174-L194 HydrophobicContact CB-CD2 4.34Å; L174-T196 PolarHBondContact N-O 3.06Å; L174-L197 HydrophobicContact CB-CD1 4.17Å; L174-L197 HydrophobicContact CD2-CD1 4.12Å; L174-L197 HydrophobicContact CG-CD1 4.19Å; L174-Y198 PolarHBondContact O-N 3.16Å
175	D	97.8	Very high	96.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.011	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.9	177.5	175.7	15.9	0	0	0	110.8	L151 A152 L153 S154 M173 R177 Y198	L151-D175 PolarHBondContact O-N 3.46Å; A152-D175 HydrophobicContact CB-CB 4.38Å; L153-D175 CarbonylContact C-O 3.3Å; L153-D175 WeakPolarHBondContact CA-O 3.44Å; L153-D175 WeakPolarHBondContact CB-O 3.24Å; L153-D175 PolarHBondContact N-O 3.36Å; S154-D175 WeakPolarHBondContact CB-OD2 3.49Å; S154-D175 PolarHBondContact N-O 3.1Å; S154-D175 PolarHBondContact OG-OD2 3.03Å; M173-D175 HydrophobicContact CE-CB 4.04Å; D175-R177 WeakPolarHBondContact OD1-CB 3.33Å; D175-R177 WeakPolarHBondContact OD1-CG 3.13Å; D175-R177 IonicContact OD1-CZ 2.78Å; D175-R177 PolarHBondContact OD1-N 3.4Å; D175-R177 VanDerWaalsContact OD1-N 3.09Å; D175-R177 IonicContact OD1-NE 3.87Å; D175-R177 PolarHBondContact OD1-NE 3.34Å; D175-R177 IonicContact OD1-NH2 3.56Å; D175-R177 IonicContact OD2-CZ 3.76Å; D175-R177 IonicContact OD2-NE 2.81Å; D175-R177 PolarHBondContact OD2-NE 3.22Å; D175-R177 IonicContact OD2-NH2 2.96Å; D175-R177 PolarHBondContact OD2-NH2 3.04Å; D175-Y198 HydrophobicContact CB-CD2 4.21Å
176	L	97.4	Very high	96.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.239	C	C	.	.			trans	-117.9	19.1	-179.6	-67.4	163.6	0	0	0	112.2	L153 L158 L161 L174 N179 L181 Y198 L199 N202	L153-L176 HydrophobicContact CB-CD2 4.1Å; L153-L176 HydrophobicContact CD1-CD2 3.71Å; L158-L176 HydrophobicContact CD1-CD2 4.12Å; L161-L176 HydrophobicContact CD1-CD1 3.89Å; L161-L176 HydrophobicContact CD1-CD2 4.09Å; L161-L176 HydrophobicContact CD2-CD2 4.08Å; L161-L176 HydrophobicContact CG-CD2 4.5Å; L174-L176 HydrophobicContact CD1-CD1 4.35Å; L174-L176 HydrophobicContact CD1-CD2 4.37Å; L174-L176 HydrophobicContact CD1-CG 4.11Å; L174-L176 HydrophobicContact CD2-CD1 3.82Å; L174-L176 HydrophobicContact CD2-CG 4.46Å; L174-L176 HydrophobicContact CG-CD1 3.87Å; L174-L176 HydrophobicContact CG-CG 3.99Å; L176-N179 PolarHBondContact O-ND2 3.27Å; L176-L181 HydrophobicContact CB-CD1 4.08Å; L176-L181 HydrophobicContact CD1-CD1 4.16Å; L176-Y198 CarbonylContact C-O 3.49Å; L176-Y198 WeakPolarHBondContact CA-O 3.4Å; L176-Y198 WeakPolarHBondContact CB-O 3.1Å; L176-Y198 PolarHBondContact N-O 3.46Å; L176-L199 HydrophobicContact CB-CD2 3.85Å; L176-L199 HydrophobicContact CD1-CD2 3.76Å; L176-L199 HydrophobicContact CG-CD2 4.48Å; L176-N202 PolarHBondContact O-ND2 3.36Å
177	R	97.5	Very high	96.8	Very high	27 Å²	27	51 Å²	51	10%	0.102	23%	0.228	C	C	.	.			trans	-60.5	152.1	-176.8	-63.6	174.7	-70.1	174.2	5.8	112.5	D69 S154 E155 D175 N179 R200	D69-R177 IonicContact OD1-NH1 3.72Å; S154-R177 CarbonylContact C-O 3.33Å; S154-R177 WeakPolarHBondContact CA-O 3.19Å; E155-R177 PolarHBondContact N-O 3.18Å; D175-R177 WeakPolarHBondContact OD1-CB 3.33Å; D175-R177 WeakPolarHBondContact OD1-CG 3.13Å; D175-R177 IonicContact OD1-CZ 2.78Å; D175-R177 PolarHBondContact OD1-N 3.4Å; D175-R177 VanDerWaalsContact OD1-N 3.09Å; D175-R177 IonicContact OD1-NE 3.87Å; D175-R177 PolarHBondContact OD1-NE 3.34Å; D175-R177 IonicContact OD1-NH2 3.56Å; D175-R177 IonicContact OD2-CZ 3.76Å; D175-R177 IonicContact OD2-NE 2.81Å; D175-R177 PolarHBondContact OD2-NE 3.22Å; D175-R177 IonicContact OD2-NH2 2.96Å; D175-R177 PolarHBondContact OD2-NH2 3.04Å; R177-N179 PolarHBondContact O-N 3.3Å; R177-N179 PolarHBondContact O-ND2 2.87Å; R177-R200 CarbonylContact C-O 3.18Å; R177-R200 WeakPolarHBondContact CA-O 3.44Å; R177-R200 HydrophobicContact CB-CB 4.45Å; R177-R200 HydrophobicContact CG-CB 3.84Å
178	H	96.3	Very high	96.9	Very high	79 Å²	79	47 Å²	47	37%	0.366	21%	0.207	S	C	.	.	S	Bend	trans	52.8	55.6	176.8	-65.1	-85.6	0	0	0	112.8	E155 N156 R200 F201	E155-H178 VanDerWaalsContact CA-O 3.32Å; E155-H178 WeakPolarHBondContact CA-O 3.29Å; E155-H178 HydrophobicContact CB-CB 4.39Å; E155-H178 HydrophobicContact CG-CB 3.91Å; E155-H178 PolarHBondContact N-O 3.45Å; N156-H178 PolarHBondContact N-O 2.93Å; H178-R200 PolarHBondContact N-O 2.95Å; H178-F201 VanDerWaalsContact CA-O 3.23Å; H178-F201 WeakPolarHBondContact CA-O 3.2Å; H178-F201 AromaticContact CE1-CD2 2.98Å; H178-F201 WeakPolarHBondContact CE1-CD2 2.98Å; H178-F201 AromaticContact CE1-CE2 3.4Å; H178-F201 WeakPolarHBondContact CE1-CE2 3.16Å; H178-F201 AromaticContact CE1-CG 3.38Å; H178-F201 WeakPolarHBondContact CE1-CG 3.46Å; H178-F201 PolarHBondContact N-O 2.85Å; H178-F201 WeakPolarHBondContact ND1-CB 3.33Å; H178-F201 AromaticContact ND1-CD2 3.68Å; H178-F201 AromaticContact ND1-CG 3.6Å; H178-F201 AromaticContact NE2-CD2 3.27Å; H178-F201 VanDerWaalsContact NE2-CD2 3.27Å; H178-F201 WeakPolarHBondContact NE2-CD2 3.38Å; H178-F201 AromaticContact NE2-CE2 3.79Å; H178-F201 AromaticContact NE2-CG 3.99Å
179	N	97.1	Very high	96.9	Very high	11 Å²	11	47.1 Å²	47.1	6%	0.059	21%	0.207	C	C	.	.	S	Bend	trans	-122.2	-165	173.3	-85.1	-73.4	0	0	0	110.1	L153 N156 S157 L158 L176 R177 L181 F201 N202	L153-N179 PolarHBondContact O-ND2 2.97Å; N156-N179 WeakPolarHBondContact CA-OD1 3.45Å; N156-N179 WeakPolarHBondContact CB-OD1 3.28Å; N156-N179 PolarHBondContact O-OD1 3.32Å; S157-N179 PolarHBondContact N-OD1 3.11Å; L158-N179 HydrophobicContact CB-CB 4.25Å; L158-N179 VanDerWaalsContact CB-OD1 3.28Å; L158-N179 WeakPolarHBondContact CB-OD1 3.14Å; L158-N179 WeakPolarHBondContact CG-OD1 3.46Å; L158-N179 PolarHBondContact N-OD1 3.42Å; L176-N179 PolarHBondContact O-ND2 3.27Å; R177-N179 PolarHBondContact O-N 3.3Å; R177-N179 PolarHBondContact O-ND2 2.87Å; N179-L181 HydrophobicContact CB-CG 4.33Å; N179-F201 PolarHBondContact N-O 3.04Å; N179-N202 VanDerWaalsContact CA-OD1 3.29Å; N179-N202 WeakPolarHBondContact CA-OD1 3.23Å; N179-N202 WeakPolarHBondContact CB-OD1 3.15Å; N179-N202 PolarHBondContact N-OD1 3.08Å; N179-N202 PolarHBondContact O-OD1 3.41Å
180	K	96.5	Very high	97	Very high	88 Å²	88	45.6 Å²	45.6	38%	0.383	20%	0.198	S	C	.	.			trans	-117.9	26	-178.4	-64.7	176.2	179.9	163.1	0	111.9	S157 L158 T159 R182 N202	S157-K180 PolarHBondContact OG-NZ 2.81Å; S157-K180 VanDerWaalsContact OG-NZ 3.08Å; L158-K180 CarbonylContact O-C 3.12Å; L158-K180 VanDerWaalsContact O-C 3.32Å; L158-K180 WeakPolarHBondContact O-CA 3.38Å; L158-K180 PolarHBondContact O-N 3.12Å; T159-K180 HydrophobicContact CG2-CB 4.09Å; K180-R182 PolarHBondContact O-N 3.44Å; K180-N202 PolarHBondContact N-OD1 3.32Å
181	L	96.6	Very high	97	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.178	C	C	.	.			trans	-65.4	127.6	-179.5	-60.3	174.2	0	0	0	110.1	L158 L176 N179 P185 L199 N202 R203 I204	L158-L181 PolarHBondContact O-N 3.08Å; L176-L181 HydrophobicContact CB-CD1 4.08Å; L176-L181 HydrophobicContact CD1-CD1 4.16Å; N179-L181 HydrophobicContact CB-CG 4.33Å; L181-P185 HydrophobicContact CD2-CG 4.02Å; L181-L199 HydrophobicContact CD1-CD2 3.88Å; L181-N202 HydrophobicContact CB-CB 4.22Å; L181-N202 WeakPolarHBondContact CB-OD1 3.29Å; L181-N202 WeakPolarHBondContact CG-OD1 3.44Å; L181-N202 PolarHBondContact N-OD1 2.83Å; L181-N202 VanDerWaalsContact N-OD1 3.11Å; L181-R203 CarbonylContact O-C 3.32Å; L181-R203 VanDerWaalsContact O-CA 3.27Å; L181-R203 WeakPolarHBondContact O-CA 3.29Å; L181-R203 WeakPolarHBondContact O-CB 3.29Å; L181-R203 PolarHBondContact O-N 3.16Å; L181-I204 HydrophobicContact CB-CG1 4.4Å; L181-I204 PolarHBondContact O-N 3.05Å
182	R	96	Very high	96.8	Very high	187 Å²	187	43.8 Å²	43.8	71%	0.706	20%	0.198	S	C	*	.	S	Bend	trans	-91.4	-19.6	175.3	-66.1	-175.9	-177	-179.4	0.6	113.1	K180 R203 I204 T205	K180-R182 PolarHBondContact O-N 3.44Å; R182-R203 WeakPolarHBondContact CA-O 3.27Å; R182-I204 VanDerWaalsContact O-CA 3.29Å; R182-I204 WeakPolarHBondContact O-CA 3.45Å; R182-T205 PolarHBondContact O-N 3.38Å; R182-T205 VanDerWaalsContact O-N 3.17Å
183	E	96.5	Very high	96.8	Very high	109 Å²	109	37 Å²	37	51%	0.509	18%	0.175	S	C	.	.	S	Bend	trans	-147.3	164.7	177.6	64.6	-167.5	-174.7	0	0	107.8	P185	E183-P185 WeakPolarHBondContact O-CD 3.49Å
184	I	96.8	Very high	96.8	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.015	17%	0.167	C	C	.	.			trans	-75	119.3	168.7	-57.6	177.8	0	0	0	106.8	S186 V188 Y189 L199 I204 V207	I184-S186 PolarHBondContact O-N 3.46Å; I184-V188 HydrophobicContact CG2-CB 3.84Å; I184-V188 HydrophobicContact CG2-CG1 3.96Å; I184-V188 HydrophobicContact CG2-CG2 4.23Å; I184-Y189 HydrophobicContact CB-CE2 4.38Å; I184-Y189 WeakPolarHBondContact CB-OH 3.48Å; I184-Y189 HydrophobicContact CG2-CE1 4.13Å; I184-Y189 HydrophobicContact CG2-CE2 4.3Å; I184-L199 HydrophobicContact CD1-CD1 3.74Å; I184-L199 HydrophobicContact CG1-CD1 3.81Å; I184-L199 HydrophobicContact CG2-CD1 4.43Å; I184-I204 HydrophobicContact CG1-CD1 3.99Å; I184-I204 HydrophobicContact CG1-CG2 4.12Å; I184-V207 HydrophobicContact CD1-CG1 4.3Å; I184-V207 HydrophobicContact CD1-CG2 4.18Å
185	P	96.1	Very high	96.7	Very high	10 Å²	10	36.7 Å²	36.7	7%	0.065	18%	0.178	C	C	.	.			trans	-57.8	137	-178.2	-25.4	35.1	0	0	0	111.9	L161 L181 E183 V187 V188	L161-P185 HydrophobicContact CB-CB 4.25Å; L161-P185 HydrophobicContact CB-CG 4.38Å; L161-P185 HydrophobicContact CD1-CB 4.49Å; L161-P185 HydrophobicContact CD1-CG 4.18Å; L161-P185 HydrophobicContact CG-CG 4.14Å; L181-P185 HydrophobicContact CD2-CG 4.02Å; E183-P185 WeakPolarHBondContact O-CD 3.49Å; P185-V187 HydrophobicContact CB-CG1 4.15Å; P185-V187 PolarHBondContact O-N 3.43Å; P185-V188 HydrophobicContact CB-CG2 4.3Å; P185-V188 HydrophobicContact CG-CG2 4.5Å; P185-V188 VanDerWaalsContact O-CB 3.29Å; P185-V188 WeakPolarHBondContact O-CB 3.35Å; P185-V188 WeakPolarHBondContact O-CG2 3.41Å; P185-V188 PolarHBondContact O-N 3.29Å
186	S	95.6	Very high	96.8	Very high	58 Å²	58	37.9 Å²	37.9	41%	0.406	19%	0.185	S	C	.	.	H	α-helix	trans	-55.6	-30.8	-173.8	68.2	0	0	0	0	114.1	I184 V188 Y189 R190	I184-S186 PolarHBondContact O-N 3.46Å; S186-V188 PolarHBondContact O-N 2.97Å; S186-Y189 PolarHBondContact O-N 3.29Å; S186-R190 PolarHBondContact OG-NH1 2.81Å
187	V	96.8	Very high	96.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-31.1	174.9	68	0	0	0	0	113	L161 D163 L165 D166 P185 Y189 R190	L161-V187 HydrophobicContact CB-CG1 3.75Å; L161-V187 HydrophobicContact CD1-CG1 4.49Å; D163-V187 VanDerWaalsContact O-CG2 3.3Å; D163-V187 WeakPolarHBondContact O-CG2 3.38Å; L165-V187 HydrophobicContact CB-CG2 3.68Å; D166-V187 HydrophobicContact CB-CG2 4.08Å; P185-V187 HydrophobicContact CB-CG1 4.15Å; P185-V187 PolarHBondContact O-N 3.43Å; V187-Y189 VanDerWaalsContact C-N 3.32Å; V187-Y189 PolarHBondContact O-N 2.73Å; V187-R190 PolarHBondContact O-N 2.85Å; V187-R190 VanDerWaalsContact O-N 3.08Å
188	V	97.4	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-41.8	179.5	177.9	0	0	0	0	110.4	L161 L174 I184 P185 S186 R190 L191 L197 L214	L161-V188 HydrophobicContact CD1-CG2 3.83Å; L174-V188 HydrophobicContact CD2-CG1 4.37Å; L174-V188 HydrophobicContact CD2-CG2 4.13Å; I184-V188 HydrophobicContact CG2-CB 3.84Å; I184-V188 HydrophobicContact CG2-CG1 3.96Å; I184-V188 HydrophobicContact CG2-CG2 4.23Å; P185-V188 HydrophobicContact CB-CG2 4.3Å; P185-V188 HydrophobicContact CG-CG2 4.5Å; P185-V188 VanDerWaalsContact O-CB 3.29Å; P185-V188 WeakPolarHBondContact O-CB 3.35Å; P185-V188 WeakPolarHBondContact O-CG2 3.41Å; P185-V188 PolarHBondContact O-N 3.29Å; S186-V188 PolarHBondContact O-N 2.97Å; V188-R190 PolarHBondContact O-N 2.9Å; V188-R190 VanDerWaalsContact O-N 3.17Å; V188-L191 WeakPolarHBondContact O-CB 3.41Å; V188-L191 PolarHBondContact O-N 3.04Å; V188-L197 HydrophobicContact CG1-CD1 4.17Å; V188-L197 HydrophobicContact CG1-CD2 3.84Å; V188-L214 WeakPolarHBondContact O-CD2 3.47Å
189	Y	96.9	Very high	96.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-19.1	178	-56.2	-61.9	0	0	0	113.5	I184 S186 V187 L191 E208 D210 I211 N213	I184-Y189 HydrophobicContact CB-CE2 4.38Å; I184-Y189 WeakPolarHBondContact CB-OH 3.48Å; I184-Y189 HydrophobicContact CG2-CE1 4.13Å; I184-Y189 HydrophobicContact CG2-CE2 4.3Å; S186-Y189 PolarHBondContact O-N 3.29Å; V187-Y189 VanDerWaalsContact C-N 3.32Å; V187-Y189 PolarHBondContact O-N 2.73Å; Y189-L191 VanDerWaalsContact C-N 3.33Å; Y189-E208 HydrophobicContact CE2-CB 3.85Å; Y189-E208 HydrophobicContact CE2-CG 4.05Å; Y189-E208 WeakPolarHBondContact CE2-OE2 3.24Å; Y189-E208 WeakPolarHBondContact OH-CB 3.43Å; Y189-E208 PolarHBondContact OH-N 3.11Å; Y189-D210 HydrophobicContact CD1-CB 4.28Å; Y189-D210 HydrophobicContact CD2-CB 4.08Å; Y189-D210 HydrophobicContact CG-CB 3.82Å; Y189-I211 HydrophobicContact CD1-CB 4.39Å; Y189-I211 HydrophobicContact CD1-CD1 4.26Å; Y189-I211 HydrophobicContact CE1-CB 4.09Å; Y189-I211 HydrophobicContact CE1-CD1 3.91Å; Y189-N213 WeakPolarHBondContact O-CB 3.45Å
190	R	96.7	Very high	96.8	Very high	90 Å²	90	34.8 Å²	34.8	34%	0.34	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-5.4	176.8	-58	-168.3	-69.1	-92.1	6.2	113.2	D163 D166 S186 V187 V188 S192	D163-R190 IonicContact OD1-CZ 2.74Å; D163-R190 IonicContact OD1-NH2 3.38Å; D163-R190 PolarHBondContact OD1-NH2 3.22Å; D166-R190 HydrophobicContact CB-CB 4.2Å; D166-R190 IonicContact OD2-NE 2.77Å; S186-R190 PolarHBondContact OG-NH1 2.81Å; V187-R190 PolarHBondContact O-N 2.85Å; V187-R190 VanDerWaalsContact O-N 3.08Å; V188-R190 PolarHBondContact O-N 2.9Å; V188-R190 VanDerWaalsContact O-N 3.17Å; R190-S192 PolarHBondContact O-N 3.44Å; R190-S192 VanDerWaalsContact O-N 3.16Å
191	L	96.4	Very high	96.7	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.166	C	C	.	.			trans	-87	66.8	-179.5	-58.6	173.2	0	0	0	111.9	L165 L168 L171 L174 V188 Y189 S193 L194 L214	L165-L191 VanDerWaalsContact O-CD2 3.24Å; L165-L191 WeakPolarHBondContact O-CD2 3.24Å; L168-L191 HydrophobicContact CB-CD2 4.5Å; L171-L191 HydrophobicContact CD2-CD1 4.02Å; L174-L191 HydrophobicContact CD2-CD1 4.01Å; V188-L191 WeakPolarHBondContact O-CB 3.41Å; V188-L191 PolarHBondContact O-N 3.04Å; Y189-L191 VanDerWaalsContact C-N 3.33Å; L191-S193 PolarHBondContact O-N 2.99Å; L191-L194 HydrophobicContact CB-CB 4.47Å; L191-L194 VanDerWaalsContact O-CB 3.24Å; L191-L194 WeakPolarHBondContact O-CB 3.2Å; L191-L194 PolarHBondContact O-N 3.42Å; L191-L214 WeakPolarHBondContact O-CD2 3.45Å
192	S	95.1	Very high	96.7	Very high	61 Å²	61	34.7 Å²	34.7	43%	0.427	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-7.7	-175.6	61	0	0	0	0	116	R190 L194	R190-S192 PolarHBondContact O-N 3.44Å; R190-S192 VanDerWaalsContact O-N 3.16Å; S192-L194 VanDerWaalsContact C-N 3.35Å
193	S	96.8	Very high	96.8	Very high	15 Å²	15	32.1 Å²	32.1	11%	0.105	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-8.5	173.4	57.2	0	0	0	0	114.2	K169 L171 L191 A195	K169-S193 WeakPolarHBondContact O-CB 3.36Å; K169-S193 PolarHBondContact O-OG 2.63Å; L171-S193 PolarHBondContact N-OG 3.09Å; L171-S193 CarbonylContact O-C 3.47Å; L171-S193 WeakPolarHBondContact O-CB 3.5Å; L171-S193 VanDerWaalsContact O-O 3.11Å; L171-S193 PolarHBondContact O-OG 2.82Å; L191-S193 PolarHBondContact O-N 2.99Å; S193-A195 PolarHBondContact O-N 3.17Å
194	L	97.8	Very high	96.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.			trans	-69.5	127	-170.9	-159	70.7	0	0	0	111.5	L171 R172 L174 L191 S192 L197 K216 L217	L171-L194 HydrophobicContact CD2-CD1 4.28Å; L171-L194 HydrophobicContact CG-CD1 4.33Å; L171-L194 WeakPolarHBondContact O-CA 3.41Å; L171-L194 PolarHBondContact O-N 3Å; R172-L194 WeakPolarHBondContact O-CD1 2.9Å; L174-L194 HydrophobicContact CB-CD1 3.74Å; L174-L194 HydrophobicContact CB-CD2 4.34Å; L191-L194 HydrophobicContact CB-CB 4.47Å; L191-L194 VanDerWaalsContact O-CB 3.24Å; L191-L194 WeakPolarHBondContact O-CB 3.2Å; L191-L194 PolarHBondContact O-N 3.42Å; S192-L194 VanDerWaalsContact C-N 3.35Å; L194-L197 HydrophobicContact CD2-CB 3.75Å; L194-L197 HydrophobicContact CD2-CD1 4.03Å; L194-L197 HydrophobicContact CD2-CD2 4.21Å; L194-L197 HydrophobicContact CD2-CG 4.2Å; L194-K216 CarbonylContact O-C 3.47Å; L194-K216 VanDerWaalsContact O-C 3.26Å; L194-L217 HydrophobicContact CB-CD1 4.48Å; L194-L217 HydrophobicContact CD2-CD1 4.22Å; L194-L217 HydrophobicContact CG-CD1 4.2Å; L194-L217 WeakPolarHBondContact O-CA 3.31Å; L194-L217 PolarHBondContact O-N 2.79Å
195	A	97.8	Very high	96.8	Very high	26 Å²	26	30 Å²	30	22%	0.215	16%	0.155	C	C	.	.	S	Bend	trans	-102.8	-28.5	174.3	0	0	0	0	0	111.7	R172 S193 K216 T218 M219	R172-A195 PolarHBondContact O-N 3.03Å; S193-A195 PolarHBondContact O-N 3.17Å; A195-K216 WeakPolarHBondContact CA-O 3.42Å; A195-T218 PolarHBondContact O-N 3.12Å; A195-T218 PolarHBondContact O-OG1 3.02Å; A195-T218 VanDerWaalsContact O-OG1 3.1Å; A195-M219 PolarHBondContact O-N 3.34Å; A195-M219 VanDerWaalsContact O-N 3.11Å
196	T	98.1	Very high	96.7	Very high	27 Å²	27	32.5 Å²	32.5	17%	0.166	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	124.6	-175.6	-57.2	0	0	0	0	111.4	R172 M173 L174 Y198 M219	R172-T196 PolarHBondContact O-N 3.49Å; M173-T196 WeakPolarHBondContact CA-O 3.35Å; M173-T196 HydrophobicContact CG-CG2 4.28Å; L174-T196 PolarHBondContact N-O 3.06Å; T196-Y198 HydrophobicContact CG2-CD2 3.85Å; T196-Y198 HydrophobicContact CG2-CE1 4.37Å; T196-Y198 HydrophobicContact CG2-CE2 3.2Å; T196-Y198 VanDerWaalsContact CG2-CZ 3.47Å; T196-M219 WeakPolarHBondContact CA-O 3.06Å; T196-M219 HydrophobicContact CG2-CB 4.03Å; T196-M219 HydrophobicContact CG2-CG 3.84Å
197	L	98.1	Very high	96.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.1	178.1	-178.2	54.1	0	0	0	110.6	L174 V188 L194 L199 L214 L217 M219 L220 S221	L174-L197 HydrophobicContact CB-CD1 4.17Å; L174-L197 HydrophobicContact CD2-CD1 4.12Å; L174-L197 HydrophobicContact CG-CD1 4.19Å; V188-L197 HydrophobicContact CG1-CD1 4.17Å; V188-L197 HydrophobicContact CG1-CD2 3.84Å; L194-L197 HydrophobicContact CD2-CB 3.75Å; L194-L197 HydrophobicContact CD2-CD1 4.03Å; L194-L197 HydrophobicContact CD2-CD2 4.21Å; L194-L197 HydrophobicContact CD2-CG 4.2Å; L197-L199 HydrophobicContact CD1-CD1 4.07Å; L197-L199 HydrophobicContact CD1-CG 4.03Å; L197-L199 HydrophobicContact CD2-CD1 3.73Å; L197-L199 HydrophobicContact CG-CD1 3.75Å; L197-L199 HydrophobicContact CG-CG 4.07Å; L197-L214 HydrophobicContact CD2-CD1 4.18Å; L197-L217 HydrophobicContact CB-CD1 3.93Å; L197-M219 PolarHBondContact N-O 2.95Å; L197-L220 HydrophobicContact CB-CD1 4.09Å; L197-L220 HydrophobicContact CD2-CD1 3.92Å; L197-L220 HydrophobicContact CG-CD1 4.11Å; L197-S221 PolarHBondContact O-N 3.02Å
198	Y	97.9	Very high	96.8	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.035	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.3	173.8	-61	-75	0	0	0	111.4	T71 I72 L174 D175 L176 T196 M219	T71-Y198 PolarHBondContact OG1-OH 3.31Å; I72-Y198 HydrophobicContact CD1-CD2 4.23Å; I72-Y198 HydrophobicContact CD1-CE2 3.99Å; I72-Y198 HydrophobicContact CG1-CE2 4.47Å; L174-Y198 PolarHBondContact O-N 3.16Å; D175-Y198 HydrophobicContact CB-CD2 4.21Å; L176-Y198 CarbonylContact C-O 3.49Å; L176-Y198 WeakPolarHBondContact CA-O 3.4Å; L176-Y198 WeakPolarHBondContact CB-O 3.1Å; L176-Y198 PolarHBondContact N-O 3.46Å; T196-Y198 HydrophobicContact CG2-CD2 3.85Å; T196-Y198 HydrophobicContact CG2-CE1 4.37Å; T196-Y198 HydrophobicContact CG2-CE2 3.2Å; T196-Y198 VanDerWaalsContact CG2-CZ 3.47Å; Y198-M219 HydrophobicContact CD1-CE 4.26Å; Y198-M219 HydrophobicContact CE1-CE 3.46Å; Y198-M219 VanDerWaalsContact CE1-CE 3.46Å; Y198-M219 HydrophobicContact CE1-CG 4.28Å
199	L	97.1	Very high	96.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.			trans	-130.6	13.7	-178.2	-74.7	162	0	0	0	112.3	L176 L181 I184 L197 N202 I204 S221 I222 N225	L176-L199 HydrophobicContact CB-CD2 3.85Å; L176-L199 HydrophobicContact CD1-CD2 3.76Å; L176-L199 HydrophobicContact CG-CD2 4.48Å; L181-L199 HydrophobicContact CD1-CD2 3.88Å; I184-L199 HydrophobicContact CD1-CD1 3.74Å; I184-L199 HydrophobicContact CG1-CD1 3.81Å; I184-L199 HydrophobicContact CG2-CD1 4.43Å; L197-L199 HydrophobicContact CD1-CD1 4.07Å; L197-L199 HydrophobicContact CD1-CG 4.03Å; L197-L199 HydrophobicContact CD2-CD1 3.73Å; L197-L199 HydrophobicContact CG-CD1 3.75Å; L197-L199 HydrophobicContact CG-CG 4.07Å; L199-N202 PolarHBondContact O-ND2 3.1Å; L199-I204 HydrophobicContact CB-CD1 3.91Å; L199-I204 HydrophobicContact CD1-CD1 4.22Å; L199-I204 HydrophobicContact CD2-CD1 3.91Å; L199-I204 HydrophobicContact CG-CD1 4.24Å; L199-S221 PolarHBondContact N-O 3.28Å; L199-I222 HydrophobicContact CB-CG2 3.9Å; L199-I222 HydrophobicContact CD1-CG2 3.76Å; L199-I222 HydrophobicContact CG-CG2 4.49Å; L199-N225 PolarHBondContact O-ND2 3.47Å
200	R	95.7	Very high	96.8	Very high	43 Å²	43	42.6 Å²	42.6	16%	0.162	21%	0.211	C	C	.	.			trans	-53.4	144.6	-179.4	-176.8	-175.3	173.8	-175.2	4.2	112.8	D69 R177 H178 N202 R223 E224	D69-R200 IonicContact OD1-NH1 3.7Å; D69-R200 PolarHBondContact OD1-NH1 2.94Å; D69-R200 IonicContact OD2-CZ 3.37Å; D69-R200 IonicContact OD2-NH1 3.49Å; D69-R200 PolarHBondContact OD2-NH1 3.26Å; R177-R200 CarbonylContact C-O 3.18Å; R177-R200 WeakPolarHBondContact CA-O 3.44Å; R177-R200 HydrophobicContact CB-CB 4.45Å; R177-R200 HydrophobicContact CG-CB 3.84Å; H178-R200 PolarHBondContact N-O 2.95Å; R200-N202 PolarHBondContact O-ND2 3.43Å; R200-R223 WeakPolarHBondContact CA-O 2.79Å; R200-R223 HydrophobicContact CB-CB 4.42Å; R200-R223 HydrophobicContact CG-CB 4.03Å; R200-E224 HydrophobicContact CG-CB 4.37Å; R200-E224 HydrophobicContact CG-CG 4.36Å; R200-E224 IonicContact CZ-OE1 2.82Å; R200-E224 IonicContact NE-OE1 3.56Å; R200-E224 PolarHBondContact NE-OE1 3.35Å; R200-E224 IonicContact NH2-OE1 3.92Å; R200-E224 PolarHBondContact NH2-OE1 3.35Å
201	F	95.1	Very high	96.8	Very high	72 Å²	72	38.3 Å²	38.3	32%	0.316	20%	0.195	S	C	.	.	S	Bend	trans	57.2	57.9	176.5	-81.2	-73.6	0	0	0	111.9	H178 N179 R223 E224	H178-F201 VanDerWaalsContact CA-O 3.23Å; H178-F201 WeakPolarHBondContact CA-O 3.2Å; H178-F201 AromaticContact CE1-CD2 2.98Å; H178-F201 WeakPolarHBondContact CE1-CD2 2.98Å; H178-F201 AromaticContact CE1-CE2 3.4Å; H178-F201 WeakPolarHBondContact CE1-CE2 3.16Å; H178-F201 AromaticContact CE1-CG 3.38Å; H178-F201 WeakPolarHBondContact CE1-CG 3.46Å; H178-F201 PolarHBondContact N-O 2.85Å; H178-F201 WeakPolarHBondContact ND1-CB 3.33Å; H178-F201 AromaticContact ND1-CD2 3.68Å; H178-F201 AromaticContact ND1-CG 3.6Å; H178-F201 AromaticContact NE2-CD2 3.27Å; H178-F201 VanDerWaalsContact NE2-CD2 3.27Å; H178-F201 WeakPolarHBondContact NE2-CD2 3.38Å; H178-F201 AromaticContact NE2-CE2 3.79Å; H178-F201 AromaticContact NE2-CG 3.99Å; N179-F201 PolarHBondContact N-O 3.04Å; F201-R223 PolarHBondContact N-O 2.81Å; F201-R223 VanDerWaalsContact N-O 3.12Å; F201-E224 WeakPolarHBondContact CA-O 3.27Å; F201-E224 HydrophobicContact CD1-CB 3.96Å; F201-E224 HydrophobicContact CD1-CG 4.49Å; F201-E224 HydrophobicContact CD2-CB 4.43Å; F201-E224 HydrophobicContact CD2-CG 4.49Å; F201-E224 HydrophobicContact CE1-CB 4.3Å; F201-E224 HydrophobicContact CE1-CG 4.4Å; F201-E224 WeakPolarHBondContact CE1-OE2 3.33Å; F201-E224 VanDerWaalsContact CE2-CD 3.44Å; F201-E224 HydrophobicContact CE2-CG 4.4Å; F201-E224 WeakPolarHBondContact CE2-OE1 3.37Å; F201-E224 HydrophobicContact CG-CB 4.05Å; F201-E224 HydrophobicContact CZ-CG 4.35Å; F201-E224 WeakPolarHBondContact CZ-OE1 3.11Å; F201-E224 WeakPolarHBondContact CZ-OE2 3.25Å; F201-E224 PolarHBondContact N-O 2.98Å
202	N	96.9	Very high	96.8	Very high	14 Å²	14	41.5 Å²	41.5	8%	0.075	21%	0.209	C	C	.	.	S	Bend	trans	-120.5	-156.8	168.3	-84.5	-78.4	0	0	0	108.7	L176 N179 K180 L181 L199 R200 I204 E224 N225	L176-N202 PolarHBondContact O-ND2 3.36Å; N179-N202 VanDerWaalsContact CA-OD1 3.29Å; N179-N202 WeakPolarHBondContact CA-OD1 3.23Å; N179-N202 WeakPolarHBondContact CB-OD1 3.15Å; N179-N202 PolarHBondContact N-OD1 3.08Å; N179-N202 PolarHBondContact O-OD1 3.41Å; K180-N202 PolarHBondContact N-OD1 3.32Å; L181-N202 HydrophobicContact CB-CB 4.22Å; L181-N202 WeakPolarHBondContact CB-OD1 3.29Å; L181-N202 WeakPolarHBondContact CG-OD1 3.44Å; L181-N202 PolarHBondContact N-OD1 2.83Å; L181-N202 VanDerWaalsContact N-OD1 3.11Å; L199-N202 PolarHBondContact O-ND2 3.1Å; R200-N202 PolarHBondContact O-ND2 3.43Å; N202-I204 HydrophobicContact CB-CD1 4.03Å; N202-I204 HydrophobicContact CB-CG1 4.02Å; N202-E224 PolarHBondContact N-O 3.42Å; N202-N225 VanDerWaalsContact CA-OD1 3.25Å; N202-N225 WeakPolarHBondContact CA-OD1 3.48Å; N202-N225 WeakPolarHBondContact CB-OD1 3.11Å; N202-N225 PolarHBondContact N-OD1 3.17Å; N202-N225 PolarHBondContact O-OD1 3.35Å
203	R	96.6	Very high	96.8	Very high	132 Å²	132	42 Å²	42	50%	0.498	21%	0.207	S	C	.	.			trans	-127.5	30	177.3	-57.9	175.5	-177.3	179.7	-2.6	110.3	L181 R182 T205 N225	L181-R203 CarbonylContact O-C 3.32Å; L181-R203 VanDerWaalsContact O-CA 3.27Å; L181-R203 WeakPolarHBondContact O-CA 3.29Å; L181-R203 WeakPolarHBondContact O-CB 3.29Å; L181-R203 PolarHBondContact O-N 3.16Å; R182-R203 WeakPolarHBondContact CA-O 3.27Å; R203-T205 PolarHBondContact O-N 3.03Å; R203-N225 PolarHBondContact N-OD1 3.19Å
204	I	97.5	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.			trans	-66.2	126.8	-174.6	-62.4	163.1	0	0	0	109.1	L181 R182 I184 L199 N202 T206 N225 K226 I227	L181-I204 HydrophobicContact CB-CG1 4.4Å; L181-I204 PolarHBondContact O-N 3.05Å; R182-I204 VanDerWaalsContact O-CA 3.29Å; R182-I204 WeakPolarHBondContact O-CA 3.45Å; I184-I204 HydrophobicContact CG1-CD1 3.99Å; I184-I204 HydrophobicContact CG1-CG2 4.12Å; L199-I204 HydrophobicContact CB-CD1 3.91Å; L199-I204 HydrophobicContact CD1-CD1 4.22Å; L199-I204 HydrophobicContact CD2-CD1 3.91Å; L199-I204 HydrophobicContact CG-CD1 4.24Å; N202-I204 HydrophobicContact CB-CD1 4.03Å; N202-I204 HydrophobicContact CB-CG1 4.02Å; I204-T206 VanDerWaalsContact CG2-O 3.31Å; I204-T206 WeakPolarHBondContact CG2-O 3.39Å; I204-N225 HydrophobicContact CB-CB 4.17Å; I204-N225 WeakPolarHBondContact CB-OD1 3.28Å; I204-N225 PolarHBondContact N-OD1 2.85Å; I204-K226 CarbonylContact O-C 3.1Å; I204-K226 VanDerWaalsContact O-C 3.24Å; I204-K226 WeakPolarHBondContact O-CA 3.47Å; I204-K226 PolarHBondContact O-N 3.18Å; I204-I227 HydrophobicContact CB-CG1 4.45Å; I204-I227 HydrophobicContact CG2-CD1 4.11Å; I204-I227 HydrophobicContact CG2-CG1 4.03Å; I204-I227 WeakPolarHBondContact O-CG1 3.31Å; I204-I227 PolarHBondContact O-N 3.31Å
205	T	96.3	Very high	96.6	Very high	68 Å²	68	44.2 Å²	44.2	42%	0.417	22%	0.222	S	C	.	.			trans	-101.2	-26	179.3	50.7	0	0	0	0	113.6	R182 R203 K226 I227	R182-T205 PolarHBondContact O-N 3.38Å; R182-T205 VanDerWaalsContact O-N 3.17Å; R203-T205 PolarHBondContact O-N 3.03Å; T205-K226 WeakPolarHBondContact CA-O 3.4Å; T205-K226 HydrophobicContact CG2-CB 4.2Å; T205-I227 WeakPolarHBondContact O-CA 3.45Å
206	T	95.3	Very high	96.6	Very high	63 Å²	63	49 Å²	49	39%	0.387	24%	0.238	S	C	.	.			trans	-142.4	146.7	-172.5	47.6	0	0	0	0	110.7	I204	I204-T206 VanDerWaalsContact CG2-O 3.31Å; I204-T206 WeakPolarHBondContact CG2-O 3.39Å
207	V	96.7	Very high	96.6	Very high	13 Å²	13	47.7 Å²	47.7	8%	0.079	23%	0.231	C	C	.	.			trans	-110.8	126.9	166.8	-179.2	0	0	0	0	106.5	I184 I211 I222 I227 L230 P231	I184-V207 HydrophobicContact CD1-CG1 4.3Å; I184-V207 HydrophobicContact CD1-CG2 4.18Å; V207-I211 HydrophobicContact CG1-CB 4.12Å; V207-I211 HydrophobicContact CG1-CD1 4.32Å; V207-I211 HydrophobicContact CG1-CG1 4.24Å; V207-I211 HydrophobicContact CG1-CG2 4.42Å; V207-I222 HydrophobicContact CG2-CD1 4.07Å; V207-I227 HydrophobicContact CG2-CD1 3.9Å; V207-I227 HydrophobicContact CG2-CG2 4.38Å; V207-L230 HydrophobicContact CG2-CD2 4.12Å; V207-P231 HydrophobicContact CB-CG 4.33Å; V207-P231 HydrophobicContact CG1-CG 4.05Å
208	E	96.3	Very high	96.6	Very high	74 Å²	74	50 Å²	50	35%	0.346	25%	0.245	S	C	.	.			trans	-84.3	156.4	-176.9	-58.2	-173.1	160.7	0	0	111.4	Y189 D210 I211	Y189-E208 HydrophobicContact CE2-CB 3.85Å; Y189-E208 HydrophobicContact CE2-CG 4.05Å; Y189-E208 WeakPolarHBondContact CE2-OE2 3.24Å; Y189-E208 WeakPolarHBondContact OH-CB 3.43Å; Y189-E208 PolarHBondContact OH-N 3.11Å; E208-D210 PolarHBondContact O-N 2.85Å; E208-I211 WeakPolarHBondContact O-CB 3.47Å; E208-I211 WeakPolarHBondContact O-CG2 3.46Å; E208-I211 PolarHBondContact O-N 3.35Å; E208-I211 VanDerWaalsContact O-N 3.09Å
209	K	96.9	Very high	96.5	Very high	126 Å²	126	50.2 Å²	50.2	55%	0.548	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-55.9	-24	177.2	62.8	179.3	-174.5	-178.5	0	114.2	I211 K212 E233	K209-I211 PolarHBondContact O-N 2.93Å; K209-I211 VanDerWaalsContact O-N 3.08Å; K209-K212 WeakPolarHBondContact O-CG 3.49Å; K209-K212 PolarHBondContact O-N 3.01Å; K209-E233 HydrophobicContact CB-CB 4.45Å; K209-E233 HydrophobicContact CB-CG 3.94Å; K209-E233 WeakPolarHBondContact CB-OE1 3.34Å; K209-E233 WeakPolarHBondContact O-CB 3.49Å
210	D	97.1	Very high	96.6	Very high	59 Å²	59	50.3 Å²	50.3	32%	0.316	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-69.7	-2.9	179.9	-66.6	-28.7	0	0	0	112.8	Y189 E208 K212 N213	Y189-D210 HydrophobicContact CD1-CB 4.28Å; Y189-D210 HydrophobicContact CD2-CB 4.08Å; Y189-D210 HydrophobicContact CG-CB 3.82Å; E208-D210 PolarHBondContact O-N 2.85Å; D210-K212 PolarHBondContact O-N 3.07Å; D210-K212 VanDerWaalsContact O-N 3.17Å; D210-N213 VanDerWaalsContact O-CB 3.31Å; D210-N213 WeakPolarHBondContact O-CB 3.12Å; D210-N213 PolarHBondContact O-N 2.79Å; D210-N213 PolarHBondContact O-ND2 3.24Å
211	I	97.2	Very high	96.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-53.1	-32.1	169.8	-163.8	71.2	0	0	0	112.6	Y189 V207 E208 K209 N213 L214 L220 P231 E233 I234 L237	Y189-I211 HydrophobicContact CD1-CB 4.39Å; Y189-I211 HydrophobicContact CD1-CD1 4.26Å; Y189-I211 HydrophobicContact CE1-CB 4.09Å; Y189-I211 HydrophobicContact CE1-CD1 3.91Å; V207-I211 HydrophobicContact CG1-CB 4.12Å; V207-I211 HydrophobicContact CG1-CD1 4.32Å; V207-I211 HydrophobicContact CG1-CG1 4.24Å; V207-I211 HydrophobicContact CG1-CG2 4.42Å; E208-I211 WeakPolarHBondContact O-CB 3.47Å; E208-I211 WeakPolarHBondContact O-CG2 3.46Å; E208-I211 PolarHBondContact O-N 3.35Å; E208-I211 VanDerWaalsContact O-N 3.09Å; K209-I211 PolarHBondContact O-N 2.93Å; K209-I211 VanDerWaalsContact O-N 3.08Å; I211-N213 PolarHBondContact O-N 3Å; I211-N213 VanDerWaalsContact O-N 3.07Å; I211-L214 HydrophobicContact CD1-CD1 3.78Å; I211-L214 WeakPolarHBondContact O-CB 3.35Å; I211-L214 PolarHBondContact O-N 2.91Å; I211-L220 HydrophobicContact CD1-CD2 4.46Å; I211-P231 HydrophobicContact CG2-CG 4Å; I211-E233 HydrophobicContact CG2-CB 4.39Å; I211-I234 HydrophobicContact CG1-CD1 4.16Å; I211-I234 HydrophobicContact CG2-CD1 4.4Å; I211-L237 HydrophobicContact CG1-CD1 4.12Å; I211-L237 WeakPolarHBondContact O-CD2 3.23Å
212	K	96.3	Very high	96.7	Very high	69 Å²	69	45 Å²	45	30%	0.3	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-55.9	-25.3	175.8	64.4	-176.7	175.5	-176.3	0	114.8	K209 D210 L214 E233 E236	K209-K212 WeakPolarHBondContact O-CG 3.49Å; K209-K212 PolarHBondContact O-N 3.01Å; D210-K212 PolarHBondContact O-N 3.07Å; D210-K212 VanDerWaalsContact O-N 3.17Å; K212-L214 PolarHBondContact O-N 3.22Å; K212-E233 HydrophobicContact CB-CB 4.18Å; K212-E233 HydrophobicContact CD-CB 4.36Å; K212-E233 HydrophobicContact CD-CG 4.07Å; K212-E236 HydrophobicContact CB-CB 3.91Å; K212-E236 HydrophobicContact CB-CG 4.32Å; K212-E236 WeakPolarHBondContact CD-OE1 3.38Å; K212-E236 WeakPolarHBondContact CD-OE2 3.48Å; K212-E236 IonicContact NZ-OE1 2.73Å
213	N	96.6	Very high	96.7	Very high	73 Å²	73	45.7 Å²	45.7	39%	0.39	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-67.8	-17.7	179.6	-65.2	-33.9	0	0	0	112.1	Y189 D210 I211 S215	Y189-N213 WeakPolarHBondContact O-CB 3.45Å; D210-N213 VanDerWaalsContact O-CB 3.31Å; D210-N213 WeakPolarHBondContact O-CB 3.12Å; D210-N213 PolarHBondContact O-N 2.79Å; D210-N213 PolarHBondContact O-ND2 3.24Å; I211-N213 PolarHBondContact O-N 3Å; I211-N213 VanDerWaalsContact O-N 3.07Å; N213-S215 PolarHBondContact O-N 3.01Å; N213-S215 VanDerWaalsContact O-N 3.07Å
214	L	96.5	Very high	96.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.			trans	-83.9	49.5	176.8	-54	-174.6	0	0	0	111.8	V188 L191 L197 I211 K212 K216 L217 L237	V188-L214 WeakPolarHBondContact O-CD2 3.47Å; L191-L214 WeakPolarHBondContact O-CD2 3.45Å; L197-L214 HydrophobicContact CD2-CD1 4.18Å; I211-L214 HydrophobicContact CD1-CD1 3.78Å; I211-L214 WeakPolarHBondContact O-CB 3.35Å; I211-L214 PolarHBondContact O-N 2.91Å; K212-L214 PolarHBondContact O-N 3.22Å; L214-K216 PolarHBondContact O-N 3.07Å; L214-L217 HydrophobicContact CB-CB 4.13Å; L214-L217 HydrophobicContact CB-CD2 4.39Å; L214-L217 HydrophobicContact CD1-CD2 4.3Å; L214-L217 WeakPolarHBondContact O-CB 3.49Å; L214-L217 PolarHBondContact O-N 2.94Å; L214-L237 HydrophobicContact CB-CD2 4.36Å; L214-L237 WeakPolarHBondContact O-CD2 3.46Å
215	S	93.8	Very high	96.7	Very high	60 Å²	60	42.3 Å²	42.3	42%	0.42	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.6	-171.3	60.3	0	0	0	0	115.6	N213 N239	N213-S215 PolarHBondContact O-N 3.01Å; N213-S215 VanDerWaalsContact O-N 3.07Å; S215-N239 PolarHBondContact O-ND2 2.88Å
216	K	96.7	Very high	96.7	Very high	126 Å²	126	44.4 Å²	44.4	55%	0.548	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	0.2	175.5	-65.9	-174.7	-177.7	175.8	0	113.8	L194 A195 L214 T218	L194-K216 CarbonylContact O-C 3.47Å; L194-K216 VanDerWaalsContact O-C 3.26Å; A195-K216 WeakPolarHBondContact CA-O 3.42Å; L214-K216 PolarHBondContact O-N 3.07Å; K216-T218 PolarHBondContact O-N 3.04Å
217	L	97.6	Very high	96.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.202	C	C	.	.			trans	-68.3	123.1	-174.8	-161.1	72.3	0	0	0	110.3	L194 L197 L214 L220 L237 N239 L240	L194-L217 HydrophobicContact CB-CD1 4.48Å; L194-L217 HydrophobicContact CD2-CD1 4.22Å; L194-L217 HydrophobicContact CG-CD1 4.2Å; L194-L217 WeakPolarHBondContact O-CA 3.31Å; L194-L217 PolarHBondContact O-N 2.79Å; L197-L217 HydrophobicContact CB-CD1 3.93Å; L214-L217 HydrophobicContact CB-CB 4.13Å; L214-L217 HydrophobicContact CB-CD2 4.39Å; L214-L217 HydrophobicContact CD1-CD2 4.3Å; L214-L217 WeakPolarHBondContact O-CB 3.49Å; L214-L217 PolarHBondContact O-N 2.94Å; L217-L220 HydrophobicContact CD2-CB 3.79Å; L217-L220 HydrophobicContact CD2-CD1 4.18Å; L217-L220 HydrophobicContact CD2-CD2 4.27Å; L217-L220 HydrophobicContact CD2-CG 4.3Å; L217-L237 HydrophobicContact CD2-CD1 4.2Å; L217-N239 CarbonylContact O-C 3.25Å; L217-L240 HydrophobicContact CD2-CD1 4.42Å; L217-L240 HydrophobicContact CG-CD1 4.36Å; L217-L240 WeakPolarHBondContact O-CA 3.24Å; L217-L240 PolarHBondContact O-N 3.3Å
218	T	97.8	Very high	96.8	Very high	48 Å²	48	46.8 Å²	46.8	29%	0.294	22%	0.224	S	C	.	.			trans	-106.6	-23.2	176.2	65.1	0	0	0	0	111.9	A195 K216 N239 I241 T242	A195-T218 PolarHBondContact O-N 3.12Å; A195-T218 PolarHBondContact O-OG1 3.02Å; A195-T218 VanDerWaalsContact O-OG1 3.1Å; K216-T218 PolarHBondContact O-N 3.04Å; T218-N239 WeakPolarHBondContact CA-O 3.48Å; T218-I241 HydrophobicContact CG2-CD1 4.45Å; T218-I241 PolarHBondContact O-N 3.19Å; T218-T242 PolarHBondContact O-N 2.92Å
219	M	97.6	Very high	96.8	Very high	14 Å²	14	50 Å²	50	7%	0.069	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	116.1	-176.2	173	63.2	-177.6	0	0	110.3	V68 A195 T196 L197 Y198 T242	V68-M219 HydrophobicContact CB-CE 3.79Å; V68-M219 HydrophobicContact CG1-CE 3.16Å; V68-M219 HydrophobicContact CG1-SD 3.75Å; A195-M219 PolarHBondContact O-N 3.34Å; A195-M219 VanDerWaalsContact O-N 3.11Å; T196-M219 WeakPolarHBondContact CA-O 3.06Å; T196-M219 HydrophobicContact CG2-CB 4.03Å; T196-M219 HydrophobicContact CG2-CG 3.84Å; L197-M219 PolarHBondContact N-O 2.95Å; Y198-M219 HydrophobicContact CD1-CE 4.26Å; Y198-M219 HydrophobicContact CE1-CE 3.46Å; Y198-M219 VanDerWaalsContact CE1-CE 3.46Å; Y198-M219 HydrophobicContact CE1-CG 4.28Å; M219-T242 HydrophobicContact CE-CG2 4.28Å; M219-T242 WeakPolarHBondContact SD-CB 3.16Å; M219-T242 HydrophobicContact SD-CG2 3.47Å; M219-T242 WeakPolarHBondContact SD-CG2 3.18Å
220	L	97.7	Very high	96.8	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.3	173	-180	56.5	0	0	0	109.6	L197 I211 L217 I222 I234 L240 T242 L243 D244	L197-L220 HydrophobicContact CB-CD1 4.09Å; L197-L220 HydrophobicContact CD2-CD1 3.92Å; L197-L220 HydrophobicContact CG-CD1 4.11Å; I211-L220 HydrophobicContact CD1-CD2 4.46Å; L217-L220 HydrophobicContact CD2-CB 3.79Å; L217-L220 HydrophobicContact CD2-CD1 4.18Å; L217-L220 HydrophobicContact CD2-CD2 4.27Å; L217-L220 HydrophobicContact CD2-CG 4.3Å; L220-I222 HydrophobicContact CD1-CG2 3.89Å; L220-I222 HydrophobicContact CG-CG2 4.37Å; L220-I234 HydrophobicContact CD2-CD1 4.01Å; L220-L240 HydrophobicContact CB-CD1 4Å; L220-T242 PolarHBondContact N-O 3.17Å; L220-L243 HydrophobicContact CB-CD1 4.07Å; L220-L243 HydrophobicContact CD2-CD1 3.9Å; L220-L243 HydrophobicContact CG-CD1 4.06Å; L220-D244 PolarHBondContact O-N 3.43Å
221	S	96.9	Very high	96.8	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	111.9	171.1	176.5	0	0	0	0	110.2	L197 L199 D244	L197-S221 PolarHBondContact O-N 3.02Å; L199-S221 PolarHBondContact N-O 3.28Å; S221-D244 WeakPolarHBondContact CA-O 3.48Å; S221-D244 PolarHBondContact OG-OD2 2.91Å
222	I	96.3	Very high	96.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.222	C	C	.	.			trans	-118.3	24.4	175.7	50.2	167	0	0	0	110.7	L199 V207 L220 N225 I227 L230 D244 V245 N248	L199-I222 HydrophobicContact CB-CG2 3.9Å; L199-I222 HydrophobicContact CD1-CG2 3.76Å; L199-I222 HydrophobicContact CG-CG2 4.49Å; V207-I222 HydrophobicContact CG2-CD1 4.07Å; L220-I222 HydrophobicContact CD1-CG2 3.89Å; L220-I222 HydrophobicContact CG-CG2 4.37Å; I222-N225 PolarHBondContact O-ND2 2.84Å; I222-I227 HydrophobicContact CB-CD1 3.89Å; I222-I227 HydrophobicContact CD1-CD1 3.4Å; I222-I227 VanDerWaalsContact CD1-CD1 3.4Å; I222-I227 HydrophobicContact CG1-CD1 4.04Å; I222-L230 HydrophobicContact CD1-CD2 3.89Å; I222-D244 PolarHBondContact N-O 3.28Å; I222-V245 HydrophobicContact CD1-CB 4.22Å; I222-V245 HydrophobicContact CD1-CG1 3.47Å; I222-V245 VanDerWaalsContact CD1-CG1 3.47Å; I222-V245 HydrophobicContact CG1-CB 4.17Å; I222-V245 HydrophobicContact CG1-CG1 3.55Å; I222-N248 PolarHBondContact O-ND2 3.08Å
223	R	96.6	Very high	96.9	Very high	27 Å²	27	43.6 Å²	43.6	10%	0.102	22%	0.219	C	C	.	.			trans	-55.2	151.1	178.3	-167.6	-165.9	173.4	95.4	-1.6	113.3	R200 F201 N225 D244 A246 H247 D267	R200-R223 WeakPolarHBondContact CA-O 2.79Å; R200-R223 HydrophobicContact CB-CB 4.42Å; R200-R223 HydrophobicContact CG-CB 4.03Å; F201-R223 PolarHBondContact N-O 2.81Å; F201-R223 VanDerWaalsContact N-O 3.12Å; R223-N225 PolarHBondContact O-ND2 3.09Å; R223-D244 WeakPolarHBondContact CB-OD1 3.41Å; R223-D244 WeakPolarHBondContact CB-OD2 3.36Å; R223-D244 PolarHBondContact N-O 3.37Å; R223-D244 IonicContact NH1-OD1 3.87Å; R223-A246 CarbonylContact C-O 3.41Å; R223-A246 WeakPolarHBondContact CA-O 3.43Å; R223-A246 HydrophobicContact CG-CB 3.97Å; R223-A246 WeakPolarHBondContact CG-O 3.36Å; R223-H247 PolarHBondContact NH2-CD2 3.07Å; R223-H247 PolarHBondContact NH2-NE2 3.38Å; R223-D267 IonicContact NH1-OD2 3.86Å; R223-D267 PolarHBondContact NH1-OD2 3.07Å
224	E	97.1	Very high	96.9	Very high	48 Å²	48	40.1 Å²	40.1	22%	0.224	20%	0.2	C	C	.	.	S	Bend	trans	55.7	56.3	175.7	-50.1	-152.4	-138.6	0	0	111.9	R200 F201 N202 A246 H247	R200-E224 HydrophobicContact CG-CB 4.37Å; R200-E224 HydrophobicContact CG-CG 4.36Å; R200-E224 IonicContact CZ-OE1 2.82Å; R200-E224 IonicContact NE-OE1 3.56Å; R200-E224 PolarHBondContact NE-OE1 3.35Å; R200-E224 IonicContact NH2-OE1 3.92Å; R200-E224 PolarHBondContact NH2-OE1 3.35Å; F201-E224 WeakPolarHBondContact CA-O 3.27Å; F201-E224 HydrophobicContact CD1-CB 3.96Å; F201-E224 HydrophobicContact CD1-CG 4.49Å; F201-E224 HydrophobicContact CD2-CB 4.43Å; F201-E224 HydrophobicContact CD2-CG 4.49Å; F201-E224 HydrophobicContact CE1-CB 4.3Å; F201-E224 HydrophobicContact CE1-CG 4.4Å; F201-E224 WeakPolarHBondContact CE1-OE2 3.33Å; F201-E224 VanDerWaalsContact CE2-CD 3.44Å; F201-E224 HydrophobicContact CE2-CG 4.4Å; F201-E224 WeakPolarHBondContact CE2-OE1 3.37Å; F201-E224 HydrophobicContact CG-CB 4.05Å; F201-E224 HydrophobicContact CZ-CG 4.35Å; F201-E224 WeakPolarHBondContact CZ-OE1 3.11Å; F201-E224 WeakPolarHBondContact CZ-OE2 3.25Å; F201-E224 PolarHBondContact N-O 2.98Å; N202-E224 PolarHBondContact N-O 3.42Å; E224-A246 PolarHBondContact N-O 3.26Å; E224-H247 VanDerWaalsContact CA-O 3.24Å; E224-H247 WeakPolarHBondContact CA-O 3.41Å; E224-H247 HydrophobicContact CB-CB 4.44Å; E224-H247 HydrophobicContact CG-CB 3.89Å; E224-H247 PolarHBondContact N-O 3.43Å
225	N	97.6	Very high	96.8	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.07	20%	0.202	C	C	.	.	S	Bend	trans	-128.8	-161.3	174.3	-83	-74.5	0	0	0	109.2	L199 N202 R203 I204 I222 R223 I227 H247 N248	L199-N225 PolarHBondContact O-ND2 3.47Å; N202-N225 VanDerWaalsContact CA-OD1 3.25Å; N202-N225 WeakPolarHBondContact CA-OD1 3.48Å; N202-N225 WeakPolarHBondContact CB-OD1 3.11Å; N202-N225 PolarHBondContact N-OD1 3.17Å; N202-N225 PolarHBondContact O-OD1 3.35Å; R203-N225 PolarHBondContact N-OD1 3.19Å; I204-N225 HydrophobicContact CB-CB 4.17Å; I204-N225 WeakPolarHBondContact CB-OD1 3.28Å; I204-N225 PolarHBondContact N-OD1 2.85Å; I222-N225 PolarHBondContact O-ND2 2.84Å; R223-N225 PolarHBondContact O-ND2 3.09Å; N225-I227 HydrophobicContact CB-CD1 4.19Å; N225-I227 HydrophobicContact CB-CG1 4.13Å; N225-H247 PolarHBondContact N-O 3Å; N225-N248 VanDerWaalsContact CA-OD1 3.28Å; N225-N248 WeakPolarHBondContact CA-OD1 3.34Å; N225-N248 WeakPolarHBondContact CB-OD1 3.14Å; N225-N248 PolarHBondContact N-OD1 3.29Å; N225-N248 PolarHBondContact O-OD1 3.37Å
226	K	97.2	Very high	96.8	Very high	112 Å²	112	42.3 Å²	42.3	49%	0.487	21%	0.205	S	C	.	.			trans	-125.1	34.5	-178.7	-60.7	-173.1	175.9	-169.3	0	111.4	I204 T205 N248	I204-K226 CarbonylContact O-C 3.1Å; I204-K226 VanDerWaalsContact O-C 3.24Å; I204-K226 WeakPolarHBondContact O-CA 3.47Å; I204-K226 PolarHBondContact O-N 3.18Å; T205-K226 WeakPolarHBondContact CA-O 3.4Å; T205-K226 HydrophobicContact CG2-CB 4.2Å; K226-N248 PolarHBondContact N-OD1 3.26Å
227	I	97.3	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.			trans	-76.6	126.9	-173.8	-59.5	168.5	0	0	0	109.1	I204 T205 V207 I222 N225 Q229 L230 N248 Q249 L250	I204-I227 HydrophobicContact CB-CG1 4.45Å; I204-I227 HydrophobicContact CG2-CD1 4.11Å; I204-I227 HydrophobicContact CG2-CG1 4.03Å; I204-I227 WeakPolarHBondContact O-CG1 3.31Å; I204-I227 PolarHBondContact O-N 3.31Å; T205-I227 WeakPolarHBondContact O-CA 3.45Å; V207-I227 HydrophobicContact CG2-CD1 3.9Å; V207-I227 HydrophobicContact CG2-CG2 4.38Å; I222-I227 HydrophobicContact CB-CD1 3.89Å; I222-I227 HydrophobicContact CD1-CD1 3.4Å; I222-I227 VanDerWaalsContact CD1-CD1 3.4Å; I222-I227 HydrophobicContact CG1-CD1 4.04Å; N225-I227 HydrophobicContact CB-CD1 4.19Å; N225-I227 HydrophobicContact CB-CG1 4.13Å; I227-Q229 VanDerWaalsContact CG2-O 3.28Å; I227-Q229 WeakPolarHBondContact CG2-O 3.27Å; I227-L230 HydrophobicContact CG2-CD2 4.28Å; I227-N248 HydrophobicContact CB-CB 4.31Å; I227-N248 WeakPolarHBondContact CB-OD1 3.2Å; I227-N248 WeakPolarHBondContact CG1-OD1 3.07Å; I227-N248 PolarHBondContact N-OD1 3.23Å; I227-Q249 CarbonylContact O-C 3.26Å; I227-Q249 WeakPolarHBondContact O-CA 3.35Å; I227-Q249 PolarHBondContact O-N 2.9Å; I227-L250 HydrophobicContact CG2-CD2 3.89Å; I227-L250 PolarHBondContact O-N 3.07Å
228	K	96.2	Very high	96.6	Very high	126 Å²	126	39.3 Å²	39.3	55%	0.548	20%	0.199	S	C	.	.			trans	-94.1	-29.4	179.8	-66.4	-170.3	174	-164	0	114.5	Q249 L250 E251	K228-Q249 WeakPolarHBondContact CA-O 3.49Å; K228-Q249 HydrophobicContact CG-CB 4.32Å; K228-L250 WeakPolarHBondContact O-CA 3.45Å; K228-E251 PolarHBondContact O-N 3.37Å
229	Q	96.1	Very high	96.4	Very high	143 Å²	143	40.2 Å²	40.2	67%	0.668	20%	0.202	S	C	*	.			trans	-152	152.6	-179	65.2	-173.5	27.2	0	0	110.3	I227	I227-Q229 VanDerWaalsContact CG2-O 3.28Å; I227-Q229 WeakPolarHBondContact CG2-O 3.27Å
230	L	97.3	Very high	96.4	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.063	20%	0.199	C	C	.	.			trans	-101	143.5	168.7	-63.6	176	0	0	0	109.6	V207 I222 I227 V245 L250 L253 P254	V207-L230 HydrophobicContact CG2-CD2 4.12Å; I222-L230 HydrophobicContact CD1-CD2 3.89Å; I227-L230 HydrophobicContact CG2-CD2 4.28Å; L230-V245 HydrophobicContact CD1-CG1 4.23Å; L230-L250 HydrophobicContact CD1-CD1 4.39Å; L230-L250 HydrophobicContact CG-CD1 4.45Å; L230-L250 HydrophobicContact CG-CD2 4.1Å; L230-L253 HydrophobicContact CD1-CD1 4Å; L230-P254 HydrophobicContact CB-CG 4.11Å
231	P	97	Very high	96.4	Very high	20 Å²	20	42.6 Å²	42.6	13%	0.13	22%	0.215	C	C	.	.			trans	-70.1	151.5	174.3	30.5	-35.5	0	0	0	111.2	V207 I211 E233 I234	V207-P231 HydrophobicContact CB-CG 4.33Å; V207-P231 HydrophobicContact CG1-CG 4.05Å; I211-P231 HydrophobicContact CG2-CG 4Å; P231-E233 WeakPolarHBondContact CB-OE2 3.41Å; P231-E233 PolarHBondContact O-N 2.65Å; P231-I234 WeakPolarHBondContact O-CB 3.14Å; P231-I234 VanDerWaalsContact O-CG2 3.22Å; P231-I234 WeakPolarHBondContact O-CG2 3.5Å; P231-I234 PolarHBondContact O-N 3.38Å; P231-I234 VanDerWaalsContact O-N 3.13Å
232	A	96.8	Very high	96.4	Very high	37 Å²	37	43.3 Å²	43.3	31%	0.306	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-57.1	-34.1	175.1	0	0	0	0	0	112.1	I234 G235 E256	A232-I234 PolarHBondContact O-N 2.74Å; A232-G235 PolarHBondContact O-N 3.05Å; A232-E256 VanDerWaalsContact CB-CD 3.43Å; A232-E256 HydrophobicContact CB-CG 3.99Å; A232-E256 WeakPolarHBondContact CB-OE2 3.42Å; A232-E256 WeakPolarHBondContact O-CB 3.35Å
233	E	97.6	Very high	96.5	Very high	49 Å²	49	43.2 Å²	43.2	23%	0.229	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-60.5	-11.4	178.5	-68	87.6	165.2	0	0	114	K209 I211 K212 P231 G235 E236	K209-E233 HydrophobicContact CB-CB 4.45Å; K209-E233 HydrophobicContact CB-CG 3.94Å; K209-E233 WeakPolarHBondContact CB-OE1 3.34Å; K209-E233 WeakPolarHBondContact O-CB 3.49Å; I211-E233 HydrophobicContact CG2-CB 4.39Å; K212-E233 HydrophobicContact CB-CB 4.18Å; K212-E233 HydrophobicContact CD-CB 4.36Å; K212-E233 HydrophobicContact CD-CG 4.07Å; P231-E233 WeakPolarHBondContact CB-OE2 3.41Å; P231-E233 PolarHBondContact O-N 2.65Å; E233-G235 PolarHBondContact O-N 3.05Å; E233-E236 WeakPolarHBondContact O-CB 3.37Å; E233-E236 PolarHBondContact O-N 3.43Å; E233-E236 VanDerWaalsContact O-N 3.12Å
234	I	96.3	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-58.1	-31	169.4	-160.7	71.6	0	0	0	111.8	I211 L220 P231 A232 E236 L237 P254 I257 C260	I211-I234 HydrophobicContact CG1-CD1 4.16Å; I211-I234 HydrophobicContact CG2-CD1 4.4Å; L220-I234 HydrophobicContact CD2-CD1 4.01Å; P231-I234 WeakPolarHBondContact O-CB 3.14Å; P231-I234 VanDerWaalsContact O-CG2 3.22Å; P231-I234 WeakPolarHBondContact O-CG2 3.5Å; P231-I234 PolarHBondContact O-N 3.38Å; P231-I234 VanDerWaalsContact O-N 3.13Å; A232-I234 PolarHBondContact O-N 2.74Å; I234-E236 PolarHBondContact O-N 2.99Å; I234-L237 HydrophobicContact CD1-CD1 3.58Å; I234-L237 HydrophobicContact CG1-CD1 4.36Å; I234-L237 WeakPolarHBondContact O-CB 3.27Å; I234-L237 WeakPolarHBondContact O-CG 3.39Å; I234-L237 PolarHBondContact O-N 3.19Å; I234-L237 VanDerWaalsContact O-N 3.14Å; I234-P254 HydrophobicContact CG2-CG 3.79Å; I234-I257 HydrophobicContact CG2-CD1 4.23Å; I234-C260 PolarHBondContact O-SG 3.09Å
235	G	94.4	Very high	96.5	Very high	5 Å²	5	40 Å²	40	5%	0.052	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-65.3	-17.1	177.6	0	0	0	0	0	114.5	A232 E233 L237 E256 S259	A232-G235 PolarHBondContact O-N 3.05Å; E233-G235 PolarHBondContact O-N 3.05Å; G235-L237 PolarHBondContact O-N 2.94Å; G235-E256 WeakPolarHBondContact CA-O 3.47Å; G235-S259 VanDerWaalsContact O-CB 3.31Å; G235-S259 WeakPolarHBondContact O-CB 3.47Å
236	E	95.7	Very high	96.6	Very high	101 Å²	101	39.4 Å²	39.4	47%	0.472	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-78.3	-8.3	176	-61.5	-173.2	-139.5	0	0	112.6	K212 E233 I234 C238	K212-E236 HydrophobicContact CB-CB 3.91Å; K212-E236 HydrophobicContact CB-CG 4.32Å; K212-E236 WeakPolarHBondContact CD-OE1 3.38Å; K212-E236 WeakPolarHBondContact CD-OE2 3.48Å; K212-E236 IonicContact NZ-OE1 2.73Å; E233-E236 WeakPolarHBondContact O-CB 3.37Å; E233-E236 PolarHBondContact O-N 3.43Å; E233-E236 VanDerWaalsContact O-N 3.12Å; I234-E236 PolarHBondContact O-N 2.99Å; E236-C238 PolarHBondContact O-N 3.21Å
237	L	95.7	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.			trans	-79.8	65.1	175.9	-58.7	-176.9	0	0	0	111.4	I211 L214 L217 I234 G235 N239 L240 C260	I211-L237 HydrophobicContact CG1-CD1 4.12Å; I211-L237 WeakPolarHBondContact O-CD2 3.23Å; L214-L237 HydrophobicContact CB-CD2 4.36Å; L214-L237 WeakPolarHBondContact O-CD2 3.46Å; L217-L237 HydrophobicContact CD2-CD1 4.2Å; I234-L237 HydrophobicContact CD1-CD1 3.58Å; I234-L237 HydrophobicContact CG1-CD1 4.36Å; I234-L237 WeakPolarHBondContact O-CB 3.27Å; I234-L237 WeakPolarHBondContact O-CG 3.39Å; I234-L237 PolarHBondContact O-N 3.19Å; I234-L237 VanDerWaalsContact O-N 3.14Å; G235-L237 PolarHBondContact O-N 2.94Å; L237-N239 PolarHBondContact O-N 3.08Å; L237-L240 HydrophobicContact CB-CB 4.11Å; L237-L240 HydrophobicContact CB-CD2 4.45Å; L237-L240 HydrophobicContact CD1-CD2 4.29Å; L237-L240 VanDerWaalsContact O-CB 3.23Å; L237-L240 WeakPolarHBondContact O-CB 3.49Å; L237-L240 PolarHBondContact O-N 3.06Å; L237-C260 PolarHBondContact O-SG 3.19Å
238	C	92.7	Very high	96.6	Very high	64 Å²	64	37.3 Å²	37.3	43%	0.432	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.7	-172.9	-55.9	0	0	0	0	114.8	E236 Q262	E236-C238 PolarHBondContact O-N 3.21Å; C238-Q262 WeakPolarHBondContact O-CG 3.2Å; C238-Q262 PolarHBondContact O-NE2 2.78Å
239	N	95.4	Very high	96.7	Very high	67 Å²	67	34.9 Å²	34.9	36%	0.358	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.6	177.7	-66	-49.8	0	0	0	113.3	S215 L217 T218 L237 I241 Q262	S215-N239 PolarHBondContact O-ND2 2.88Å; L217-N239 CarbonylContact O-C 3.25Å; T218-N239 WeakPolarHBondContact CA-O 3.48Å; L237-N239 PolarHBondContact O-N 3.08Å; N239-I241 PolarHBondContact O-N 2.66Å; N239-Q262 PolarHBondContact OD1-NE2 3.24Å
240	L	96.9	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.			trans	-69.6	122.4	-176.8	-163.3	66.1	0	0	0	110	L217 L220 L237 L243 Q262 I263	L217-L240 HydrophobicContact CD2-CD1 4.42Å; L217-L240 HydrophobicContact CG-CD1 4.36Å; L217-L240 WeakPolarHBondContact O-CA 3.24Å; L217-L240 PolarHBondContact O-N 3.3Å; L220-L240 HydrophobicContact CB-CD1 4Å; L237-L240 HydrophobicContact CB-CB 4.11Å; L237-L240 HydrophobicContact CB-CD2 4.45Å; L237-L240 HydrophobicContact CD1-CD2 4.29Å; L237-L240 VanDerWaalsContact O-CB 3.23Å; L237-L240 WeakPolarHBondContact O-CB 3.49Å; L237-L240 PolarHBondContact O-N 3.06Å; L240-L243 HydrophobicContact CD2-CB 3.87Å; L240-L243 HydrophobicContact CD2-CD1 4.25Å; L240-L243 HydrophobicContact CD2-CD2 4.28Å; L240-L243 HydrophobicContact CD2-CG 4.34Å; L240-Q262 CarbonylContact O-C 3.52Å; L240-I263 HydrophobicContact CB-CG1 4.31Å; L240-I263 HydrophobicContact CD2-CD1 4.25Å; L240-I263 HydrophobicContact CG-CG1 4.43Å; L240-I263 WeakPolarHBondContact O-CA 3.35Å; L240-I263 VanDerWaalsContact O-CG1 3.27Å; L240-I263 WeakPolarHBondContact O-CG1 3.48Å; L240-I263 PolarHBondContact O-N 3.17Å; L240-I263 VanDerWaalsContact O-N 3.09Å
241	I	97.1	Very high	96.7	Very high	66 Å²	66	31.8 Å²	31.8	34%	0.338	17%	0.17	S	C	.	.			trans	-101	-39.8	178.9	-62.2	173.4	0	0	0	109.6	T218 N239 I263 T264 N265	T218-I241 HydrophobicContact CG2-CD1 4.45Å; T218-I241 PolarHBondContact O-N 3.19Å; N239-I241 PolarHBondContact O-N 2.66Å; I241-I263 WeakPolarHBondContact O-CA 3.37Å; I241-T264 HydrophobicContact CG2-CG2 4.26Å; I241-T264 VanDerWaalsContact CG2-OG1 3.27Å; I241-T264 WeakPolarHBondContact CG2-OG1 3.46Å; I241-T264 PolarHBondContact O-N 2.95Å; I241-T264 PolarHBondContact O-OG1 3.36Å; I241-N265 PolarHBondContact O-N 3.29Å
242	T	97.6	Very high	96.7	Very high	18 Å²	18	35.1 Å²	35.1	11%	0.11	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.1	-179	-58	0	0	0	0	111.2	V68 T218 M219 L220 N265	V68-T242 HydrophobicContact CG1-CG2 4.04Å; V68-T242 HydrophobicContact CG2-CG2 4.31Å; T218-T242 PolarHBondContact O-N 2.92Å; M219-T242 HydrophobicContact CE-CG2 4.28Å; M219-T242 WeakPolarHBondContact SD-CB 3.16Å; M219-T242 HydrophobicContact SD-CG2 3.47Å; M219-T242 WeakPolarHBondContact SD-CG2 3.18Å; L220-T242 PolarHBondContact N-O 3.17Å; T242-N265 WeakPolarHBondContact CA-O 3.45Å; T242-N265 HydrophobicContact CG2-CB 3.88Å
243	L	97.8	Very high	96.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112	173	179.2	56.5	0	0	0	109	L220 L240 V245 I257 N265 L266 D267	L220-L243 HydrophobicContact CB-CD1 4.07Å; L220-L243 HydrophobicContact CD2-CD1 3.9Å; L220-L243 HydrophobicContact CG-CD1 4.06Å; L240-L243 HydrophobicContact CD2-CB 3.87Å; L240-L243 HydrophobicContact CD2-CD1 4.25Å; L240-L243 HydrophobicContact CD2-CD2 4.28Å; L240-L243 HydrophobicContact CD2-CG 4.34Å; L243-V245 HydrophobicContact CD1-CG1 3.56Å; L243-V245 HydrophobicContact CD2-CG1 4.43Å; L243-V245 HydrophobicContact CG-CG1 3.86Å; L243-I257 HydrophobicContact CD2-CD1 3.7Å; L243-N265 PolarHBondContact N-O 3.46Å; L243-L266 HydrophobicContact CB-CD1 3.9Å; L243-L266 HydrophobicContact CD2-CD1 3.8Å; L243-L266 HydrophobicContact CG-CD1 3.95Å; L243-D267 PolarHBondContact O-N 2.95Å
244	D	97.7	Very high	96.7	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	104.4	177.3	172.4	18	0	0	0	110	L220 S221 I222 R223 A246 D267	L220-D244 PolarHBondContact O-N 3.43Å; S221-D244 WeakPolarHBondContact CA-O 3.48Å; S221-D244 PolarHBondContact OG-OD2 2.91Å; I222-D244 PolarHBondContact N-O 3.28Å; R223-D244 WeakPolarHBondContact CB-OD1 3.41Å; R223-D244 WeakPolarHBondContact CB-OD2 3.36Å; R223-D244 PolarHBondContact N-O 3.37Å; R223-D244 IonicContact NH1-OD1 3.87Å; D244-A246 WeakPolarHBondContact OD1-CB 3.32Å; D244-A246 PolarHBondContact OD1-N 2.85Å; D244-D267 HydrophobicContact CB-CB 4.37Å
245	V	97.1	Very high	96.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.			trans	-120	20.3	179.3	-54.6	0	0	0	0	111.7	I222 L230 L243 N248 L250 D267 L268 N271	I222-V245 HydrophobicContact CD1-CB 4.22Å; I222-V245 HydrophobicContact CD1-CG1 3.47Å; I222-V245 VanDerWaalsContact CD1-CG1 3.47Å; I222-V245 HydrophobicContact CG1-CB 4.17Å; I222-V245 HydrophobicContact CG1-CG1 3.55Å; L230-V245 HydrophobicContact CD1-CG1 4.23Å; L243-V245 HydrophobicContact CD1-CG1 3.56Å; L243-V245 HydrophobicContact CD2-CG1 4.43Å; L243-V245 HydrophobicContact CG-CG1 3.86Å; V245-N248 PolarHBondContact O-ND2 3.36Å; V245-L250 HydrophobicContact CB-CD1 4.02Å; V245-L250 HydrophobicContact CG2-CD1 3.58Å; V245-D267 CarbonylContact C-O 3.46Å; V245-D267 WeakPolarHBondContact CG2-O 3.48Å; V245-D267 PolarHBondContact N-O 2.93Å; V245-L268 HydrophobicContact CG2-CD2 3.3Å; V245-L268 HydrophobicContact CG2-CG 4.18Å; V245-N271 PolarHBondContact O-ND2 3.29Å; V245-N271 VanDerWaalsContact O-ND2 3.09Å
246	A	97.8	Very high	96.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.			trans	-65.9	156.4	-177.3	0	0	0	0	0	113.3	R223 E224 D244 N248 D267 Q269	R223-A246 CarbonylContact C-O 3.41Å; R223-A246 WeakPolarHBondContact CA-O 3.43Å; R223-A246 HydrophobicContact CG-CB 3.97Å; R223-A246 WeakPolarHBondContact CG-O 3.36Å; E224-A246 PolarHBondContact N-O 3.26Å; D244-A246 WeakPolarHBondContact OD1-CB 3.32Å; D244-A246 PolarHBondContact OD1-N 2.85Å; A246-N248 PolarHBondContact O-ND2 3.14Å; A246-D267 HydrophobicContact CB-CB 4.47Å; A246-D267 PolarHBondContact N-O 3.41Å; A246-Q269 CarbonylContact C-O 3.56Å; A246-Q269 WeakPolarHBondContact CA-O 3.16Å; A246-Q269 HydrophobicContact CB-CG 3.4Å; A246-Q269 VanDerWaalsContact CB-CG 3.4Å; A246-Q269 WeakPolarHBondContact CB-O 3.4Å
247	H	97.8	Very high	96.9	Very high	58 Å²	58	37.8 Å²	37.8	27%	0.269	19%	0.19	S	C	.	.	S	Bend	trans	53.5	55.1	-175.9	-62.1	-95.5	0	0	0	112.4	R223 E224 N225 Q269 H270	R223-H247 PolarHBondContact NH2-CD2 3.07Å; R223-H247 PolarHBondContact NH2-NE2 3.38Å; E224-H247 VanDerWaalsContact CA-O 3.24Å; E224-H247 WeakPolarHBondContact CA-O 3.41Å; E224-H247 HydrophobicContact CB-CB 4.44Å; E224-H247 HydrophobicContact CG-CB 3.89Å; E224-H247 PolarHBondContact N-O 3.43Å; N225-H247 PolarHBondContact N-O 3Å; H247-Q269 PolarHBondContact N-O 3.23Å; H247-H270 WeakPolarHBondContact CA-O 3.37Å; H247-H270 HydrophobicContact CB-CB 4.41Å; H247-H270 AromaticContact CE1-CD2 3.23Å; H247-H270 PolarHBondContact CE1-CD2 3.12Å; H247-H270 AromaticContact CE1-CG 3.36Å; H247-H270 AromaticContact CE1-ND1 3.94Å; H247-H270 AromaticContact CE1-NE2 3.78Å; H247-H270 PolarHBondContact N-O 3.44Å; H247-H270 AromaticContact ND1-CD2 3.99Å; H247-H270 AromaticContact ND1-CG 3.7Å; H247-H270 AromaticContact NE2-CD2 3.26Å; H247-H270 PolarHBondContact NE2-CD2 3.12Å; H247-H270 VanDerWaalsContact NE2-CD2 3.26Å; H247-H270 AromaticContact NE2-CG 3.76Å; H247-H270 AromaticContact NE2-NE2 3.99Å
248	N	98.1	Very high	96.8	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.059	19%	0.191	C	C	.	.	S	Bend	trans	-124.7	-161.9	170.8	-84.2	-75.5	0	0	0	108.7	I222 N225 K226 I227 V245 A246 L250 H270 N271	I222-N248 PolarHBondContact O-ND2 3.08Å; N225-N248 VanDerWaalsContact CA-OD1 3.28Å; N225-N248 WeakPolarHBondContact CA-OD1 3.34Å; N225-N248 WeakPolarHBondContact CB-OD1 3.14Å; N225-N248 PolarHBondContact N-OD1 3.29Å; N225-N248 PolarHBondContact O-OD1 3.37Å; K226-N248 PolarHBondContact N-OD1 3.26Å; I227-N248 HydrophobicContact CB-CB 4.31Å; I227-N248 WeakPolarHBondContact CB-OD1 3.2Å; I227-N248 WeakPolarHBondContact CG1-OD1 3.07Å; I227-N248 PolarHBondContact N-OD1 3.23Å; V245-N248 PolarHBondContact O-ND2 3.36Å; A246-N248 PolarHBondContact O-ND2 3.14Å; N248-L250 HydrophobicContact CB-CG 4.35Å; N248-H270 PolarHBondContact N-O 3.03Å; N248-N271 WeakPolarHBondContact CA-OD1 3.22Å; N248-N271 WeakPolarHBondContact CB-OD1 3.44Å; N248-N271 PolarHBondContact N-OD1 3.33Å; N248-N271 PolarHBondContact O-OD1 3.04Å
249	Q	97.8	Very high	97	Very high	74 Å²	74	38 Å²	38	35%	0.346	19%	0.193	S	C	.	.			trans	-121.8	33.2	-179.1	-61.4	-179.6	-28.2	0	0	110.3	I227 K228 E251 N271	I227-Q249 CarbonylContact O-C 3.26Å; I227-Q249 WeakPolarHBondContact O-CA 3.35Å; I227-Q249 PolarHBondContact O-N 2.9Å; K228-Q249 WeakPolarHBondContact CA-O 3.49Å; K228-Q249 HydrophobicContact CG-CB 4.32Å; Q249-E251 PolarHBondContact O-N 2.94Å; Q249-N271 PolarHBondContact N-OD1 2.9Å
250	L	97.8	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.			trans	-67.2	124.2	-177.6	-64.1	175.1	0	0	0	110.3	I227 K228 L230 V245 N248 L268 N271 E272 L273	I227-L250 HydrophobicContact CG2-CD2 3.89Å; I227-L250 PolarHBondContact O-N 3.07Å; K228-L250 WeakPolarHBondContact O-CA 3.45Å; L230-L250 HydrophobicContact CD1-CD1 4.39Å; L230-L250 HydrophobicContact CG-CD1 4.45Å; L230-L250 HydrophobicContact CG-CD2 4.1Å; V245-L250 HydrophobicContact CB-CD1 4.02Å; V245-L250 HydrophobicContact CG2-CD1 3.58Å; N248-L250 HydrophobicContact CB-CG 4.35Å; L250-L268 HydrophobicContact CD1-CD2 4.22Å; L250-N271 HydrophobicContact CB-CB 4.12Å; L250-N271 WeakPolarHBondContact CB-OD1 3.39Å; L250-N271 WeakPolarHBondContact CG-OD1 3.44Å; L250-N271 PolarHBondContact N-OD1 3.17Å; L250-E272 CarbonylContact O-C 3.51Å; L250-E272 VanDerWaalsContact O-CA 3.31Å; L250-E272 WeakPolarHBondContact O-CA 3.49Å; L250-E272 PolarHBondContact O-N 2.89Å; L250-L273 HydrophobicContact CB-CD2 3.9Å; L250-L273 HydrophobicContact CB-CG 4.47Å; L250-L273 PolarHBondContact O-N 3.29Å
251	E	96.7	Very high	96.8	Very high	91 Å²	91	38.1 Å²	38.1	43%	0.425	20%	0.196	S	C	.	.	S	Bend	trans	-92	-32.9	174	-67.5	178.1	-154.5	0	0	112.1	K228 Q249 E272 L273 L274	K228-E251 PolarHBondContact O-N 3.37Å; Q249-E251 PolarHBondContact O-N 2.94Å; E251-E272 HydrophobicContact CG-CB 4.49Å; E251-L273 WeakPolarHBondContact O-CA 3.33Å; E251-L274 PolarHBondContact O-N 3.13Å
252	H	96.8	Very high	96.7	Very high	90 Å²	90	39.1 Å²	39.1	42%	0.417	20%	0.2	S	C	.	.			trans	-141.3	161	180	-60.8	-73	0	0	0	111.1	D275	H252-D275 IonicContact CE1-OD1 3.79Å; H252-D275 IonicContact CG-OD1 3.56Å; H252-D275 IonicContact ND1-OD1 3.97Å; H252-D275 PolarHBondContact ND1-OD1 3.09Å; H252-D275 IonicContact ND1-OD2 3.93Å
253	L	96.8	Very high	96.7	Very high	12 Å²	12	38.3 Å²	38.3	6%	0.063	19%	0.194	C	C	.	.			trans	-111.6	135	171.3	-169.8	71.8	0	0	0	109	L230 I257 L268 P277 I280	L230-L253 HydrophobicContact CD1-CD1 4Å; L253-I257 HydrophobicContact CD1-CG1 4.44Å; L253-I257 HydrophobicContact CD2-CB 4.24Å; L253-I257 HydrophobicContact CD2-CG1 4.14Å; L253-I257 HydrophobicContact CD2-CG2 3.63Å; L253-I257 HydrophobicContact CG-CB 4.22Å; L253-I257 HydrophobicContact CG-CG1 4.39Å; L253-I257 HydrophobicContact CG-CG2 3.92Å; L253-L268 HydrophobicContact CD1-CD2 3.96Å; L253-L268 HydrophobicContact CD2-CD1 4.14Å; L253-P277 HydrophobicContact CB-CG 4.34Å; L253-P277 HydrophobicContact CD2-CG 4.28Å; L253-I280 HydrophobicContact CD2-CD1 4.25Å
254	P	96.8	Very high	96.6	Very high	20 Å²	20	40.1 Å²	40.1	13%	0.13	21%	0.206	C	C	.	.			trans	-64.4	145.5	178.2	26.8	-34.3	0	0	0	111.2	L230 I234 E256 I257	L230-P254 HydrophobicContact CB-CG 4.11Å; I234-P254 HydrophobicContact CG2-CG 3.79Å; P254-E256 WeakPolarHBondContact CB-OE2 3.41Å; P254-E256 PolarHBondContact O-N 3.13Å; P254-I257 WeakPolarHBondContact O-CB 3.35Å; P254-I257 WeakPolarHBondContact O-CG2 3.44Å; P254-I257 PolarHBondContact O-N 3.27Å
255	E	96.7	Very high	96.5	Very high	132 Å²	132	41.2 Å²	41.2	62%	0.617	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-62.3	-30.4	179.5	-67	-170	169.1	0	0	111.9	I257 G258 P277 T279	E255-I257 PolarHBondContact O-N 3.29Å; E255-I257 VanDerWaalsContact O-N 3.08Å; E255-G258 PolarHBondContact O-N 3.01Å; E255-P277 HydrophobicContact CG-CB 4.06Å; E255-T279 HydrophobicContact CB-CG2 4.14Å; E255-T279 WeakPolarHBondContact O-CB 3.37Å; E255-T279 WeakPolarHBondContact O-CG2 3.49Å; E255-T279 PolarHBondContact O-OG1 2.94Å
256	E	97.3	Very high	96.5	Very high	83 Å²	83	41.2 Å²	41.2	39%	0.388	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-64.3	-15.1	-178.7	-65.1	79.6	-176.8	0	0	113.3	A232 G235 P254 G258 S259	A232-E256 VanDerWaalsContact CB-CD 3.43Å; A232-E256 HydrophobicContact CB-CG 3.99Å; A232-E256 WeakPolarHBondContact CB-OE2 3.42Å; A232-E256 WeakPolarHBondContact O-CB 3.35Å; G235-E256 WeakPolarHBondContact CA-O 3.47Å; P254-E256 WeakPolarHBondContact CB-OE2 3.41Å; P254-E256 PolarHBondContact O-N 3.13Å; E256-G258 PolarHBondContact O-N 3.25Å; E256-G258 VanDerWaalsContact O-N 3.11Å; E256-S259 WeakPolarHBondContact O-CB 3.28Å; E256-S259 PolarHBondContact O-N 2.97Å; E256-S259 PolarHBondContact O-OG 3.31Å
257	I	96.1	Very high	96.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-55.3	-30.1	174.3	-165.3	59.4	0	0	0	112.5	I234 L243 L253 P254 E255 S259 C260 I263 P277	I234-I257 HydrophobicContact CG2-CD1 4.23Å; L243-I257 HydrophobicContact CD2-CD1 3.7Å; L253-I257 HydrophobicContact CD1-CG1 4.44Å; L253-I257 HydrophobicContact CD2-CB 4.24Å; L253-I257 HydrophobicContact CD2-CG1 4.14Å; L253-I257 HydrophobicContact CD2-CG2 3.63Å; L253-I257 HydrophobicContact CG-CB 4.22Å; L253-I257 HydrophobicContact CG-CG1 4.39Å; L253-I257 HydrophobicContact CG-CG2 3.92Å; P254-I257 WeakPolarHBondContact O-CB 3.35Å; P254-I257 WeakPolarHBondContact O-CG2 3.44Å; P254-I257 PolarHBondContact O-N 3.27Å; E255-I257 PolarHBondContact O-N 3.29Å; E255-I257 VanDerWaalsContact O-N 3.08Å; I257-S259 PolarHBondContact O-N 3.3Å; I257-S259 VanDerWaalsContact O-N 3.15Å; I257-C260 WeakPolarHBondContact O-CB 3.23Å; I257-C260 PolarHBondContact O-N 2.88Å; I257-C260 VanDerWaalsContact O-N 3.11Å; I257-I263 HydrophobicContact CD1-CD1 4.06Å; I257-P277 HydrophobicContact CG2-CG 4.13Å
258	G	94.5	Very high	96.5	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.031	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-66.7	-10.8	177.2	0	0	0	0	0	114.2	E255 E256 T279 N282	E255-G258 PolarHBondContact O-N 3.01Å; E256-G258 PolarHBondContact O-N 3.25Å; E256-G258 VanDerWaalsContact O-N 3.11Å; G258-T279 VanDerWaalsContact CA-O 3.31Å; G258-T279 WeakPolarHBondContact CA-O 3.43Å; G258-N282 VanDerWaalsContact O-CB 3.31Å; G258-N282 WeakPolarHBondContact O-CB 3.4Å
259	S	95.9	Very high	96.5	Very high	67 Å²	67	38.1 Å²	38.1	47%	0.469	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-77.7	-20.5	173.4	-58.3	0	0	0	0	112.7	G235 E256 I257 T261	G235-S259 VanDerWaalsContact O-CB 3.31Å; G235-S259 WeakPolarHBondContact O-CB 3.47Å; E256-S259 WeakPolarHBondContact O-CB 3.28Å; E256-S259 PolarHBondContact O-N 2.97Å; E256-S259 PolarHBondContact O-OG 3.31Å; I257-S259 PolarHBondContact O-N 3.3Å; I257-S259 VanDerWaalsContact O-N 3.15Å; S259-T261 PolarHBondContact O-N 3.3Å
260	C	94.9	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.			trans	-79.8	61	178.6	-64.6	0	0	0	0	112	I234 L237 I257 Q262 I263 L283	I234-C260 PolarHBondContact O-SG 3.09Å; L237-C260 PolarHBondContact O-SG 3.19Å; I257-C260 WeakPolarHBondContact O-CB 3.23Å; I257-C260 PolarHBondContact O-N 2.88Å; I257-C260 VanDerWaalsContact O-N 3.11Å; C260-Q262 PolarHBondContact O-N 2.73Å; C260-I263 HydrophobicContact CB-CD1 3.38Å; C260-I263 HydrophobicContact CB-CG1 3.76Å; C260-I263 WeakPolarHBondContact O-CB 3.49Å; C260-I263 WeakPolarHBondContact O-CG1 3.29Å; C260-I263 PolarHBondContact O-N 2.81Å; C260-L283 WeakPolarHBondContact O-CD2 3.32Å
261	T	94.1	Very high	96.5	Very high	69 Å²	69	37.7 Å²	37.7	42%	0.423	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.2	-170.3	57	0	0	0	0	115.6	S259 I263	S259-T261 PolarHBondContact O-N 3.3Å; T261-I263 VanDerWaalsContact C-N 3.34Å
262	Q	95.3	Very high	96.6	Very high	87 Å²	87	36.1 Å²	36.1	41%	0.407	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.8	175.2	-67.7	-169.3	63.9	0	0	113.9	C238 N239 L240 C260 T264	C238-Q262 WeakPolarHBondContact O-CG 3.2Å; C238-Q262 PolarHBondContact O-NE2 2.78Å; N239-Q262 PolarHBondContact OD1-NE2 3.24Å; L240-Q262 CarbonylContact O-C 3.52Å; C260-Q262 PolarHBondContact O-N 2.73Å; Q262-T264 PolarHBondContact O-N 3.45Å; Q262-T264 VanDerWaalsContact O-N 3.17Å
263	I	96.1	Very high	96.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.			trans	-64.2	120.1	179.3	-69.1	175	0	0	0	109.6	L240 I241 I257 C260 T261 L266 L283 S285 L286	L240-I263 HydrophobicContact CB-CG1 4.31Å; L240-I263 HydrophobicContact CD2-CD1 4.25Å; L240-I263 HydrophobicContact CG-CG1 4.43Å; L240-I263 WeakPolarHBondContact O-CA 3.35Å; L240-I263 VanDerWaalsContact O-CG1 3.27Å; L240-I263 WeakPolarHBondContact O-CG1 3.48Å; L240-I263 PolarHBondContact O-N 3.17Å; L240-I263 VanDerWaalsContact O-N 3.09Å; I241-I263 WeakPolarHBondContact O-CA 3.37Å; I257-I263 HydrophobicContact CD1-CD1 4.06Å; C260-I263 HydrophobicContact CB-CD1 3.38Å; C260-I263 HydrophobicContact CB-CG1 3.76Å; C260-I263 WeakPolarHBondContact O-CB 3.49Å; C260-I263 WeakPolarHBondContact O-CG1 3.29Å; C260-I263 PolarHBondContact O-N 2.81Å; T261-I263 VanDerWaalsContact C-N 3.34Å; I263-L266 HydrophobicContact CG2-CB 4.01Å; I263-L283 HydrophobicContact CB-CD2 4.48Å; I263-S285 CarbonylContact O-C 3.6Å; I263-L286 HydrophobicContact CG2-CD1 3.96Å; I263-L286 PolarHBondContact O-N 2.64Å
264	T	96.3	Very high	96.7	Very high	39 Å²	39	34.7 Å²	34.7	24%	0.239	18%	0.183	C	C	.	.			trans	-101.9	-25.6	171.9	60.5	0	0	0	0	111.8	I241 Q262 S285 S287 R288	I241-T264 HydrophobicContact CG2-CG2 4.26Å; I241-T264 VanDerWaalsContact CG2-OG1 3.27Å; I241-T264 WeakPolarHBondContact CG2-OG1 3.46Å; I241-T264 PolarHBondContact O-N 2.95Å; I241-T264 PolarHBondContact O-OG1 3.36Å; Q262-T264 PolarHBondContact O-N 3.45Å; Q262-T264 VanDerWaalsContact O-N 3.17Å; T264-S285 WeakPolarHBondContact CA-O 3.21Å; T264-S287 PolarHBondContact O-N 3.16Å; T264-S287 PolarHBondContact O-OG 3.2Å; T264-R288 PolarHBondContact O-N 2.95Å
265	N	96.6	Very high	96.6	Very high	29 Å²	29	37.2 Å²	37.2	16%	0.155	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	110	-174.1	-65.6	69.5	0	0	0	110	I241 T242 L243	I241-N265 PolarHBondContact O-N 3.29Å; T242-N265 WeakPolarHBondContact CA-O 3.45Å; T242-N265 HydrophobicContact CG2-CB 3.88Å; L243-N265 PolarHBondContact N-O 3.46Å
266	L	97.4	Very high	96.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	112.9	175.6	-179.3	57.4	0	0	0	109.7	L243 I263 L268 I280 L283 L286 R288 L289 G290	L243-L266 HydrophobicContact CB-CD1 3.9Å; L243-L266 HydrophobicContact CD2-CD1 3.8Å; L243-L266 HydrophobicContact CG-CD1 3.95Å; I263-L266 HydrophobicContact CG2-CB 4.01Å; L266-L268 HydrophobicContact CD1-CD1 4.26Å; L266-L268 HydrophobicContact CD1-CD2 4.5Å; L266-L268 HydrophobicContact CD1-CG 4.12Å; L266-L268 HydrophobicContact CD2-CD1 3.79Å; L266-L268 HydrophobicContact CG-CD1 3.8Å; L266-L268 HydrophobicContact CG-CG 4.02Å; L266-I280 HydrophobicContact CD2-CD1 3.66Å; L266-L283 HydrophobicContact CD2-CD1 4.18Å; L266-L286 HydrophobicContact CB-CD1 3.84Å; L266-R288 PolarHBondContact N-O 2.86Å; L266-L289 HydrophobicContact CB-CD1 4.16Å; L266-L289 HydrophobicContact CD2-CD1 3.98Å; L266-L289 HydrophobicContact CG-CD1 4.13Å; L266-L289 WeakPolarHBondContact O-CA 3.19Å; L266-G290 PolarHBondContact O-N 3.11Å
267	D	97.4	Very high	96.6	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.011	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	108.2	-179.8	-164	6.9	0	0	0	111.3	F66 R223 L243 D244 V245 A246 Q269	F66-D267 WeakPolarHBondContact CB-OD2 3.39Å; F66-D267 HydrophobicContact CD1-CB 3.55Å; F66-D267 VanDerWaalsContact CD1-CG 3.4Å; F66-D267 WeakPolarHBondContact CD1-OD2 3.33Å; F66-D267 HydrophobicContact CE1-CB 3.46Å; F66-D267 VanDerWaalsContact CE1-CB 3.46Å; F66-D267 HydrophobicContact CG-CB 4.2Å; F66-D267 WeakPolarHBondContact CG-OD2 3.39Å; F66-D267 HydrophobicContact CZ-CB 4.05Å; R223-D267 IonicContact NH1-OD2 3.86Å; R223-D267 PolarHBondContact NH1-OD2 3.07Å; L243-D267 PolarHBondContact O-N 2.95Å; D244-D267 HydrophobicContact CB-CB 4.37Å; V245-D267 CarbonylContact C-O 3.46Å; V245-D267 WeakPolarHBondContact CG2-O 3.48Å; V245-D267 PolarHBondContact N-O 2.93Å; A246-D267 HydrophobicContact CB-CB 4.47Å; A246-D267 PolarHBondContact N-O 3.41Å; D267-Q269 VanDerWaalsContact CG-NE2 3.26Å; D267-Q269 WeakPolarHBondContact OD1-CG 3.37Å; D267-Q269 PolarHBondContact OD1-N 3.12Å; D267-Q269 PolarHBondContact OD1-NE2 3.01Å; D267-Q269 VanDerWaalsContact OD1-NE2 3.08Å; D267-Q269 PolarHBondContact OD2-NE2 3Å
268	L	97.4	Very high	96.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.			trans	-117.5	9.3	-178.1	-67.5	159.8	0	0	0	112	V245 L250 L253 L266 N271 L273 L276 L289 G290 L291 N294	V245-L268 HydrophobicContact CG2-CD2 3.3Å; V245-L268 HydrophobicContact CG2-CG 4.18Å; L250-L268 HydrophobicContact CD1-CD2 4.22Å; L253-L268 HydrophobicContact CD1-CD2 3.96Å; L253-L268 HydrophobicContact CD2-CD1 4.14Å; L266-L268 HydrophobicContact CD1-CD1 4.26Å; L266-L268 HydrophobicContact CD1-CD2 4.5Å; L266-L268 HydrophobicContact CD1-CG 4.12Å; L266-L268 HydrophobicContact CD2-CD1 3.79Å; L266-L268 HydrophobicContact CG-CD1 3.8Å; L266-L268 HydrophobicContact CG-CG 4.02Å; L268-N271 PolarHBondContact O-ND2 2.83Å; L268-L273 HydrophobicContact CB-CD1 3.82Å; L268-L273 HydrophobicContact CD1-CD1 4.25Å; L268-L273 HydrophobicContact CD2-CD1 4.13Å; L268-L273 HydrophobicContact CG-CD1 4.3Å; L268-L276 HydrophobicContact CD1-CD2 4.26Å; L268-L289 HydrophobicContact CD1-CD1 4.4Å; L268-G290 CarbonylContact C-O 3.21Å; L268-G290 VanDerWaalsContact C-O 3.25Å; L268-G290 VanDerWaalsContact CA-O 3.25Å; L268-G290 WeakPolarHBondContact CA-O 3.47Å; L268-G290 VanDerWaalsContact CB-O 3.27Å; L268-G290 WeakPolarHBondContact CB-O 3.34Å; L268-G290 PolarHBondContact N-O 2.88Å; L268-L291 HydrophobicContact CB-CD2 4.19Å; L268-L291 HydrophobicContact CD1-CD2 3.99Å; L268-N294 PolarHBondContact O-ND2 2.9Å
269	Q	97.6	Very high	96.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	19%	0.186	C	C	.	.			trans	-62.6	153.9	-175.9	66.1	-168.5	-32.6	0	0	113	A246 H247 D267 N271 G290 R292	A246-Q269 CarbonylContact C-O 3.56Å; A246-Q269 WeakPolarHBondContact CA-O 3.16Å; A246-Q269 HydrophobicContact CB-CG 3.4Å; A246-Q269 VanDerWaalsContact CB-CG 3.4Å; A246-Q269 WeakPolarHBondContact CB-O 3.4Å; H247-Q269 PolarHBondContact N-O 3.23Å; D267-Q269 VanDerWaalsContact CG-NE2 3.26Å; D267-Q269 WeakPolarHBondContact OD1-CG 3.37Å; D267-Q269 PolarHBondContact OD1-N 3.12Å; D267-Q269 PolarHBondContact OD1-NE2 3.01Å; D267-Q269 VanDerWaalsContact OD1-NE2 3.08Å; D267-Q269 PolarHBondContact OD2-NE2 3Å; Q269-N271 PolarHBondContact O-ND2 3.32Å; Q269-G290 PolarHBondContact N-O 3.41Å; Q269-G290 VanDerWaalsContact N-O 3.11Å; Q269-R292 CarbonylContact C-O 3.34Å; Q269-R292 VanDerWaalsContact CA-O 3.23Å; Q269-R292 WeakPolarHBondContact CA-O 3.48Å; Q269-R292 HydrophobicContact CB-CG 3.64Å; Q269-R292 WeakPolarHBondContact CB-O 3.23Å
270	H	97.9	Very high	96.8	Very high	55 Å²	55	31.5 Å²	31.5	26%	0.255	16%	0.164	S	C	.	.	S	Bend	trans	54.7	52.7	-179.8	-63.8	-81.5	0	0	0	112.4	H247 N248 R292 Y293	H247-H270 WeakPolarHBondContact CA-O 3.37Å; H247-H270 HydrophobicContact CB-CB 4.41Å; H247-H270 AromaticContact CE1-CD2 3.23Å; H247-H270 PolarHBondContact CE1-CD2 3.12Å; H247-H270 AromaticContact CE1-CG 3.36Å; H247-H270 AromaticContact CE1-ND1 3.94Å; H247-H270 AromaticContact CE1-NE2 3.78Å; H247-H270 PolarHBondContact N-O 3.44Å; H247-H270 AromaticContact ND1-CD2 3.99Å; H247-H270 AromaticContact ND1-CG 3.7Å; H247-H270 AromaticContact NE2-CD2 3.26Å; H247-H270 PolarHBondContact NE2-CD2 3.12Å; H247-H270 VanDerWaalsContact NE2-CD2 3.26Å; H247-H270 AromaticContact NE2-CG 3.76Å; H247-H270 AromaticContact NE2-NE2 3.99Å; N248-H270 PolarHBondContact N-O 3.03Å; H270-R292 PolarHBondContact N-O 3.15Å; H270-Y293 WeakPolarHBondContact CA-O 3.29Å; H270-Y293 AromaticContact CE1-CD1 3.59Å; H270-Y293 AromaticContact CE1-CD2 3.47Å; H270-Y293 VanDerWaalsContact CE1-CD2 3.47Å; H270-Y293 WeakPolarHBondContact CE1-CD2 2.99Å; H270-Y293 AromaticContact CE1-CG 3.25Å; H270-Y293 PolarHBondContact N-O 3.09Å; H270-Y293 VanDerWaalsContact ND1-CB 3.34Å; H270-Y293 WeakPolarHBondContact ND1-CB 3.48Å; H270-Y293 AromaticContact ND1-CD1 3.92Å; H270-Y293 AromaticContact ND1-CG 3.53Å; H270-Y293 AromaticContact NE2-CD2 3.71Å; H270-Y293 AromaticContact NE2-CG 3.92Å
271	N	98.3	Very high	96.7	Very high	11 Å²	11	31.6 Å²	31.6	6%	0.059	17%	0.165	C	C	.	.	S	Bend	trans	-121.6	-167.9	170.2	-83.9	-74.8	0	0	0	109	V245 N248 Q249 L250 L268 Q269 L273 Y293 N294	V245-N271 PolarHBondContact O-ND2 3.29Å; V245-N271 VanDerWaalsContact O-ND2 3.09Å; N248-N271 WeakPolarHBondContact CA-OD1 3.22Å; N248-N271 WeakPolarHBondContact CB-OD1 3.44Å; N248-N271 PolarHBondContact N-OD1 3.33Å; N248-N271 PolarHBondContact O-OD1 3.04Å; Q249-N271 PolarHBondContact N-OD1 2.9Å; L250-N271 HydrophobicContact CB-CB 4.12Å; L250-N271 WeakPolarHBondContact CB-OD1 3.39Å; L250-N271 WeakPolarHBondContact CG-OD1 3.44Å; L250-N271 PolarHBondContact N-OD1 3.17Å; L268-N271 PolarHBondContact O-ND2 2.83Å; Q269-N271 PolarHBondContact O-ND2 3.32Å; N271-L273 HydrophobicContact CB-CG 4.13Å; N271-Y293 PolarHBondContact N-O 2.92Å; N271-N294 VanDerWaalsContact CA-OD1 3.25Å; N271-N294 WeakPolarHBondContact CA-OD1 3.25Å; N271-N294 WeakPolarHBondContact CB-OD1 3.43Å; N271-N294 PolarHBondContact N-OD1 3.26Å; N271-N294 PolarHBondContact O-OD1 2.89Å
272	E	97.9	Very high	96.8	Very high	57 Å²	57	32 Å²	32	27%	0.266	17%	0.165	S	C	.	.			trans	-113.3	27.7	177.3	-57.6	-167.9	-157.2	0	0	111.2	L250 E251 L274 N294 R295	L250-E272 CarbonylContact O-C 3.51Å; L250-E272 VanDerWaalsContact O-CA 3.31Å; L250-E272 WeakPolarHBondContact O-CA 3.49Å; L250-E272 PolarHBondContact O-N 2.89Å; E251-E272 HydrophobicContact CG-CB 4.49Å; E272-L274 PolarHBondContact O-N 2.85Å; E272-N294 PolarHBondContact N-OD1 3.07Å; E272-R295 IonicContact OE1-NH2 3.42Å; E272-R295 IonicContact OE2-CZ 3.85Å; E272-R295 IonicContact OE2-NH1 3.09Å; E272-R295 PolarHBondContact OE2-NH1 3.48Å; E272-R295 IonicContact OE2-NH2 2.63Å; E272-R295 PolarHBondContact OE2-NH2 3.16Å
273	L	98.1	Very high	96.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.			trans	-61	126.7	-170.9	-68.4	172.3	0	0	0	111.1	L250 E251 L268 N271 L276 N294 R295 L296	L250-L273 HydrophobicContact CB-CD2 3.9Å; L250-L273 HydrophobicContact CB-CG 4.47Å; L250-L273 PolarHBondContact O-N 3.29Å; E251-L273 WeakPolarHBondContact O-CA 3.33Å; L268-L273 HydrophobicContact CB-CD1 3.82Å; L268-L273 HydrophobicContact CD1-CD1 4.25Å; L268-L273 HydrophobicContact CD2-CD1 4.13Å; L268-L273 HydrophobicContact CG-CD1 4.3Å; N271-L273 HydrophobicContact CB-CG 4.13Å; L273-L276 HydrophobicContact CD1-CD2 4.27Å; L273-N294 HydrophobicContact CB-CB 4.17Å; L273-N294 WeakPolarHBondContact CB-OD1 3.33Å; L273-N294 WeakPolarHBondContact CG-OD1 3.31Å; L273-N294 PolarHBondContact N-OD1 2.92Å; L273-R295 CarbonylContact O-C 3.19Å; L273-R295 VanDerWaalsContact O-CA 3.26Å; L273-R295 WeakPolarHBondContact O-CA 3.44Å; L273-R295 PolarHBondContact O-N 3.43Å; L273-L296 HydrophobicContact CB-CD2 3.91Å; L273-L296 HydrophobicContact CB-CG 4.48Å; L273-L296 PolarHBondContact O-N 3.01Å
274	L	97.3	Very high	96.6	Very high	72 Å²	72	31 Å²	31	38%	0.377	17%	0.168	S	C	.	.			trans	-89.5	-33	178.7	-61	176.5	0	0	0	112.2	E251 E272 R295 S297	E251-L274 PolarHBondContact O-N 3.13Å; E272-L274 PolarHBondContact O-N 2.85Å; L274-R295 HydrophobicContact CD2-CB 4Å; L274-S297 PolarHBondContact O-N 3.47Å
275	D	96.5	Very high	96.5	Very high	74 Å²	74	31.7 Å²	31.7	40%	0.396	17%	0.174	S	C	.	.			trans	-150	176.4	-178.2	63.2	-5.2	0	0	0	112.2	H252	H252-D275 IonicContact CE1-OD1 3.79Å; H252-D275 IonicContact CG-OD1 3.56Å; H252-D275 IonicContact ND1-OD1 3.97Å; H252-D275 PolarHBondContact ND1-OD1 3.09Å; H252-D275 IonicContact ND1-OD2 3.93Å
276	L	97.1	Very high	96.5	Very high	11 Å²	11	30.3 Å²	30.3	6%	0.058	17%	0.166	C	C	.	.			trans	-130.9	140.2	170.9	-65.8	171.1	0	0	0	108.9	L268 L273 L291 L296 I299 P300	L268-L276 HydrophobicContact CD1-CD2 4.26Å; L273-L276 HydrophobicContact CD1-CD2 4.27Å; L276-L291 HydrophobicContact CD1-CD1 3.62Å; L276-L291 HydrophobicContact CD1-CD2 3.74Å; L276-L291 HydrophobicContact CD1-CG 4.34Å; L276-L291 HydrophobicContact CD2-CD2 3.89Å; L276-L291 HydrophobicContact CG-CD2 4.35Å; L276-L296 HydrophobicContact CD1-CD1 4.32Å; L276-L296 HydrophobicContact CG-CD2 4Å; L276-I299 HydrophobicContact CD1-CD1 4.15Å; L276-P300 HydrophobicContact CB-CG 3.91Å
277	P	96.9	Very high	96.3	Very high	14 Å²	14	31.8 Å²	31.8	9%	0.091	18%	0.177	C	C	.	.			trans	-69.6	148.9	179.8	29.3	-35.8	0	0	0	111.7	L253 E255 I257 T279 I280	L253-P277 HydrophobicContact CB-CG 4.34Å; L253-P277 HydrophobicContact CD2-CG 4.28Å; E255-P277 HydrophobicContact CG-CB 4.06Å; I257-P277 HydrophobicContact CG2-CG 4.13Å; P277-T279 PolarHBondContact O-N 3.38Å; P277-T279 VanDerWaalsContact O-N 3.14Å; P277-I280 WeakPolarHBondContact O-CB 3.04Å; P277-I280 VanDerWaalsContact O-CG2 3.28Å; P277-I280 WeakPolarHBondContact O-CG2 3.21Å; P277-I280 PolarHBondContact O-N 2.86Å; P277-I280 VanDerWaalsContact O-N 3.08Å
278	E	96.1	Very high	96.2	Very high	105 Å²	105	36.8 Å²	36.8	49%	0.491	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-65.7	-13.7	176.2	-75.5	-69.6	168.5	0	0	113.1	I280 P300 K301 S302	E278-I280 PolarHBondContact O-N 3.29Å; E278-P300 HydrophobicContact CG-CB 4.18Å; E278-P300 WeakPolarHBondContact OE1-CA 3.4Å; E278-P300 WeakPolarHBondContact OE1-CB 3.18Å; E278-P300 WeakPolarHBondContact OE2-CB 3.48Å; E278-K301 PolarHBondContact OE1-N 3.29Å; E278-K301 VanDerWaalsContact OE1-N 3.09Å; E278-K301 PolarHBondContact OE2-N 2.99Å; E278-S302 WeakPolarHBondContact CA-OG 3.47Å; E278-S302 WeakPolarHBondContact O-CB 3.19Å; E278-S302 PolarHBondContact O-OG 3.34Å; E278-S302 WeakPolarHBondContact OE2-CB 3.35Å; E278-S302 PolarHBondContact OE2-N 3.28Å; E278-S302 PolarHBondContact OE2-OG 3.5Å
279	T	96.8	Very high	96.1	Very high	34 Å²	34	37.1 Å²	37.1	21%	0.209	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-72.2	-12.9	173.8	58.1	0	0	0	0	112.7	E255 G258 P277 G281 N282	E255-T279 HydrophobicContact CB-CG2 4.14Å; E255-T279 WeakPolarHBondContact O-CB 3.37Å; E255-T279 WeakPolarHBondContact O-CG2 3.49Å; E255-T279 PolarHBondContact O-OG1 2.94Å; G258-T279 VanDerWaalsContact CA-O 3.31Å; G258-T279 WeakPolarHBondContact CA-O 3.43Å; P277-T279 PolarHBondContact O-N 3.38Å; P277-T279 VanDerWaalsContact O-N 3.14Å; T279-G281 PolarHBondContact O-N 2.9Å; T279-N282 VanDerWaalsContact O-CB 3.3Å; T279-N282 WeakPolarHBondContact O-CB 3.05Å; T279-N282 PolarHBondContact O-N 2.81Å
280	I	96.1	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-58.3	-31.8	176.6	-160	71.8	0	0	0	112.2	L253 L266 P277 E278 N282 L283 P300 L303	L253-I280 HydrophobicContact CD2-CD1 4.25Å; L266-I280 HydrophobicContact CD2-CD1 3.66Å; P277-I280 WeakPolarHBondContact O-CB 3.04Å; P277-I280 VanDerWaalsContact O-CG2 3.28Å; P277-I280 WeakPolarHBondContact O-CG2 3.21Å; P277-I280 PolarHBondContact O-N 2.86Å; P277-I280 VanDerWaalsContact O-N 3.08Å; E278-I280 PolarHBondContact O-N 3.29Å; I280-N282 PolarHBondContact O-N 3.46Å; I280-N282 VanDerWaalsContact O-N 3.16Å; I280-L283 HydrophobicContact CD1-CD1 3.62Å; I280-L283 HydrophobicContact CG1-CD1 4.38Å; I280-L283 WeakPolarHBondContact O-CB 3.45Å; I280-L283 WeakPolarHBondContact O-CG 3.22Å; I280-L283 PolarHBondContact O-N 3.19Å; I280-L283 VanDerWaalsContact O-N 3.08Å; I280-P300 HydrophobicContact CG2-CG 3.6Å; I280-L303 HydrophobicContact CG2-CD1 4.29Å
281	G	94.4	Very high	96.1	Very high	3 Å²	3	34.6 Å²	34.6	3%	0.031	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-68.4	-8.6	176.6	0	0	0	0	0	114.8	T279 L283 S302 K305	T279-G281 PolarHBondContact O-N 2.9Å; G281-L283 VanDerWaalsContact C-N 3.25Å; G281-S302 WeakPolarHBondContact CA-O 3.27Å; G281-K305 VanDerWaalsContact O-CB 3.25Å; G281-K305 WeakPolarHBondContact O-CB 3.25Å
282	N	96	Very high	96	Very high	77 Å²	77	37.8 Å²	37.8	41%	0.412	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-77.4	-14.9	171.9	-65.7	-13.6	0	0	0	112.2	G258 T279 I280 S284	G258-N282 VanDerWaalsContact O-CB 3.31Å; G258-N282 WeakPolarHBondContact O-CB 3.4Å; T279-N282 VanDerWaalsContact O-CB 3.3Å; T279-N282 WeakPolarHBondContact O-CB 3.05Å; T279-N282 PolarHBondContact O-N 2.81Å; I280-N282 PolarHBondContact O-N 3.46Å; I280-N282 VanDerWaalsContact O-N 3.16Å; N282-S284 PolarHBondContact O-N 2.93Å
283	L	95.4	Very high	96	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.			trans	-77	68.4	175.2	-53.5	-174.9	0	0	0	110.1	C260 I263 L266 I280 G281 S285 L286 C306	C260-L283 WeakPolarHBondContact O-CD2 3.32Å; I263-L283 HydrophobicContact CB-CD2 4.48Å; L266-L283 HydrophobicContact CD2-CD1 4.18Å; I280-L283 HydrophobicContact CD1-CD1 3.62Å; I280-L283 HydrophobicContact CG1-CD1 4.38Å; I280-L283 WeakPolarHBondContact O-CB 3.45Å; I280-L283 WeakPolarHBondContact O-CG 3.22Å; I280-L283 PolarHBondContact O-N 3.19Å; I280-L283 VanDerWaalsContact O-N 3.08Å; G281-L283 VanDerWaalsContact C-N 3.25Å; L283-S285 PolarHBondContact O-N 3.01Å; L283-L286 HydrophobicContact CB-CB 3.98Å; L283-L286 HydrophobicContact CB-CD2 4.41Å; L283-L286 HydrophobicContact CD1-CD2 4.49Å; L283-L286 WeakPolarHBondContact O-CB 3.16Å; L283-L286 PolarHBondContact O-N 2.92Å; L283-L286 VanDerWaalsContact O-N 3.11Å; L283-C306 PolarHBondContact O-SG 3.2Å
284	S	91.7	Very high	96	Very high	66 Å²	66	38.9 Å²	38.9	46%	0.462	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.1	-175.3	55.4	0	0	0	0	113.9	N282 L286	N282-S284 PolarHBondContact O-N 2.93Å; S284-L286 VanDerWaalsContact C-N 3.29Å
285	S	93.7	Very high	96.1	Very high	53 Å²	53	41.3 Å²	41.3	37%	0.371	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	2.8	176.6	-51.9	0	0	0	0	113.3	I263 T264 L283 S287	I263-S285 CarbonylContact O-C 3.6Å; T264-S285 WeakPolarHBondContact CA-O 3.21Å; L283-S285 PolarHBondContact O-N 3.01Å; S285-S287 PolarHBondContact O-N 3.21Å; S285-S287 VanDerWaalsContact O-N 3.14Å
286	L	95.6	Very high	96.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.			trans	-67.9	113	-174.9	-171.3	67.3	0	0	0	110.5	I263 L266 L283 S284 R288 L289 C306 E308 L309	I263-L286 HydrophobicContact CG2-CD1 3.96Å; I263-L286 PolarHBondContact O-N 2.64Å; L266-L286 HydrophobicContact CB-CD1 3.84Å; L283-L286 HydrophobicContact CB-CB 3.98Å; L283-L286 HydrophobicContact CB-CD2 4.41Å; L283-L286 HydrophobicContact CD1-CD2 4.49Å; L283-L286 WeakPolarHBondContact O-CB 3.16Å; L283-L286 PolarHBondContact O-N 2.92Å; L283-L286 VanDerWaalsContact O-N 3.11Å; S284-L286 VanDerWaalsContact C-N 3.29Å; L286-R288 WeakPolarHBondContact CD1-O 3.31Å; L286-L289 HydrophobicContact CD2-CB 4Å; L286-L289 HydrophobicContact CD2-CD1 4.28Å; L286-L289 HydrophobicContact CD2-CD2 4.04Å; L286-L289 HydrophobicContact CD2-CG 4.32Å; L286-L289 HydrophobicContact CG-CB 4.44Å; L286-C306 HydrophobicContact CB-CB 4.49Å; L286-E308 CarbonylContact O-C 3.12Å; L286-L309 HydrophobicContact CD2-CD2 4.43Å; L286-L309 HydrophobicContact CG-CD2 4.16Å; L286-L309 PolarHBondContact O-N 3.11Å
287	S	94.1	Very high	96.1	Very high	32 Å²	32	40.7 Å²	40.7	22%	0.224	21%	0.207	C	C	.	.			trans	-99.3	-35.7	178.3	66.2	0	0	0	0	112.1	T264 S285	T264-S287 PolarHBondContact O-N 3.16Å; T264-S287 PolarHBondContact O-OG 3.2Å; S285-S287 PolarHBondContact O-N 3.21Å; S285-S287 VanDerWaalsContact O-N 3.14Å
288	R	94.6	Very high	96.1	Very high	106 Å²	106	42.3 Å²	42.3	40%	0.4	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	122.7	-177.5	-61.1	-168.6	-172.9	175	-2	111	F66 T264 L266 L286	F66-R288 HydrophobicContact CE1-CB 4.45Å; T264-R288 PolarHBondContact O-N 2.95Å; L266-R288 PolarHBondContact N-O 2.86Å; L286-R288 WeakPolarHBondContact CD1-O 3.31Å
289	L	96.7	Very high	96.1	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	109.8	178.8	179.3	55.3	0	0	0	110	L266 L268 L286 L291 L303 L309	L266-L289 HydrophobicContact CB-CD1 4.16Å; L266-L289 HydrophobicContact CD2-CD1 3.98Å; L266-L289 HydrophobicContact CG-CD1 4.13Å; L266-L289 WeakPolarHBondContact O-CA 3.19Å; L268-L289 HydrophobicContact CD1-CD1 4.4Å; L286-L289 HydrophobicContact CD2-CB 4Å; L286-L289 HydrophobicContact CD2-CD1 4.28Å; L286-L289 HydrophobicContact CD2-CD2 4.04Å; L286-L289 HydrophobicContact CD2-CG 4.32Å; L286-L289 HydrophobicContact CG-CB 4.44Å; L289-L291 HydrophobicContact CD1-CD1 4.34Å; L289-L291 HydrophobicContact CD1-CD2 4.18Å; L289-L291 HydrophobicContact CD1-CG 4.06Å; L289-L291 HydrophobicContact CD2-CD1 3.72Å; L289-L291 HydrophobicContact CD2-CG 4.32Å; L289-L291 HydrophobicContact CG-CD1 3.79Å; L289-L291 HydrophobicContact CG-CD2 4.48Å; L289-L291 HydrophobicContact CG-CG 3.84Å; L289-L303 HydrophobicContact CD2-CD1 3.66Å; L289-L303 HydrophobicContact CD2-CD2 4.33Å; L289-L309 HydrophobicContact CB-CD2 4.01Å
290	G	96.6	Very high	96	Very high	4 Å²	4	36.5 Å²	36.5	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	108.6	-179.9	0	0	0	0	0	111.2	L266 L268 Q269	L266-G290 PolarHBondContact O-N 3.11Å; L268-G290 CarbonylContact C-O 3.21Å; L268-G290 VanDerWaalsContact C-O 3.25Å; L268-G290 VanDerWaalsContact CA-O 3.25Å; L268-G290 WeakPolarHBondContact CA-O 3.47Å; L268-G290 VanDerWaalsContact CB-O 3.27Å; L268-G290 WeakPolarHBondContact CB-O 3.34Å; L268-G290 PolarHBondContact N-O 2.88Å; Q269-G290 PolarHBondContact N-O 3.41Å; Q269-G290 VanDerWaalsContact N-O 3.11Å
291	L	97.4	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.			trans	-123.9	-1.4	-178.3	-68.1	170.8	0	0	0	114.3	L268 L276 L289 N294 L296 I299 L314 N317	L268-L291 HydrophobicContact CB-CD2 4.19Å; L268-L291 HydrophobicContact CD1-CD2 3.99Å; L276-L291 HydrophobicContact CD1-CD1 3.62Å; L276-L291 HydrophobicContact CD1-CD2 3.74Å; L276-L291 HydrophobicContact CD1-CG 4.34Å; L276-L291 HydrophobicContact CD2-CD2 3.89Å; L276-L291 HydrophobicContact CG-CD2 4.35Å; L289-L291 HydrophobicContact CD1-CD1 4.34Å; L289-L291 HydrophobicContact CD1-CD2 4.18Å; L289-L291 HydrophobicContact CD1-CG 4.06Å; L289-L291 HydrophobicContact CD2-CD1 3.72Å; L289-L291 HydrophobicContact CD2-CG 4.32Å; L289-L291 HydrophobicContact CG-CD1 3.79Å; L289-L291 HydrophobicContact CG-CD2 4.48Å; L289-L291 HydrophobicContact CG-CG 3.84Å; L291-N294 PolarHBondContact O-ND2 3Å; L291-L296 HydrophobicContact CB-CD1 4.12Å; L291-L296 HydrophobicContact CD1-CD1 4.34Å; L291-L296 HydrophobicContact CD2-CD1 4.14Å; L291-L296 HydrophobicContact CG-CD1 4.42Å; L291-I299 HydrophobicContact CD1-CD1 4.32Å; L291-L314 HydrophobicContact CB-CD2 3.9Å; L291-L314 HydrophobicContact CD1-CD2 3.59Å; L291-L314 HydrophobicContact CG-CD2 4.42Å; L291-N317 PolarHBondContact O-ND2 3.22Å
292	R	97.4	Very high	96.1	Very high	78 Å²	78	44.3 Å²	44.3	29%	0.294	23%	0.229	S	C	.	.			trans	-59.8	151.7	-178.4	64.6	170.3	-170.1	177.6	-2.5	112.7	Q269 H270 N294 E315	Q269-R292 CarbonylContact C-O 3.34Å; Q269-R292 VanDerWaalsContact CA-O 3.23Å; Q269-R292 WeakPolarHBondContact CA-O 3.48Å; Q269-R292 HydrophobicContact CB-CG 3.64Å; Q269-R292 WeakPolarHBondContact CB-O 3.23Å; H270-R292 PolarHBondContact N-O 3.15Å; R292-N294 PolarHBondContact O-ND2 3.08Å; R292-E315 CarbonylContact C-O 3.5Å; R292-E315 WeakPolarHBondContact CA-O 3.45Å; R292-E315 HydrophobicContact CB-CB 4.21Å
293	Y	98.1	Very high	96.1	Very high	71 Å²	71	40.7 Å²	40.7	28%	0.278	21%	0.209	S	C	.	.	S	Bend	trans	56.6	57.2	178.5	-61.6	-99.7	0	0	0	111.8	H270 N271 E315 N316	H270-Y293 WeakPolarHBondContact CA-O 3.29Å; H270-Y293 AromaticContact CE1-CD1 3.59Å; H270-Y293 AromaticContact CE1-CD2 3.47Å; H270-Y293 VanDerWaalsContact CE1-CD2 3.47Å; H270-Y293 WeakPolarHBondContact CE1-CD2 2.99Å; H270-Y293 AromaticContact CE1-CG 3.25Å; H270-Y293 PolarHBondContact N-O 3.09Å; H270-Y293 VanDerWaalsContact ND1-CB 3.34Å; H270-Y293 WeakPolarHBondContact ND1-CB 3.48Å; H270-Y293 AromaticContact ND1-CD1 3.92Å; H270-Y293 AromaticContact ND1-CG 3.53Å; H270-Y293 AromaticContact NE2-CD2 3.71Å; H270-Y293 AromaticContact NE2-CG 3.92Å; N271-Y293 PolarHBondContact N-O 2.92Å; Y293-E315 PolarHBondContact N-O 2.79Å; Y293-E315 PolarHBondContact OH-OE1 3.11Å; Y293-N316 VanDerWaalsContact CA-O 3.29Å; Y293-N316 WeakPolarHBondContact CA-O 3.18Å; Y293-N316 HydrophobicContact CD1-CB 4Å; Y293-N316 WeakPolarHBondContact CD1-ND2 3.16Å; Y293-N316 HydrophobicContact CD2-CB 4.48Å; Y293-N316 HydrophobicContact CE1-CB 4.08Å; Y293-N316 WeakPolarHBondContact CE1-ND2 3.07Å; Y293-N316 HydrophobicContact CG-CB 4.17Å; Y293-N316 PolarHBondContact N-O 3.24Å
294	N	98.4	Very high	96.1	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.053	22%	0.218	C	C	.	.	S	Bend	trans	-127.1	-168.1	172.3	-84.9	-72.3	0	0	0	109.2	L268 N271 E272 L273 L291 R292 L296 N316 N317	L268-N294 PolarHBondContact O-ND2 2.9Å; N271-N294 VanDerWaalsContact CA-OD1 3.25Å; N271-N294 WeakPolarHBondContact CA-OD1 3.25Å; N271-N294 WeakPolarHBondContact CB-OD1 3.43Å; N271-N294 PolarHBondContact N-OD1 3.26Å; N271-N294 PolarHBondContact O-OD1 2.89Å; E272-N294 PolarHBondContact N-OD1 3.07Å; L273-N294 HydrophobicContact CB-CB 4.17Å; L273-N294 WeakPolarHBondContact CB-OD1 3.33Å; L273-N294 WeakPolarHBondContact CG-OD1 3.31Å; L273-N294 PolarHBondContact N-OD1 2.92Å; L291-N294 PolarHBondContact O-ND2 3Å; R292-N294 PolarHBondContact O-ND2 3.08Å; N294-L296 HydrophobicContact CB-CD1 4.47Å; N294-L296 HydrophobicContact CB-CG 4.11Å; N294-N316 PolarHBondContact N-O 3.31Å; N294-N316 VanDerWaalsContact O-O 3.12Å; N294-N317 WeakPolarHBondContact CA-OD1 3.1Å; N294-N317 WeakPolarHBondContact CB-OD1 3.42Å; N294-N317 PolarHBondContact O-OD1 3.26Å
295	R	98	Very high	96.3	Very high	122 Å²	122	44.9 Å²	44.9	46%	0.46	22%	0.223	S	C	.	.			trans	-118.2	29.4	177.1	-62.7	-175.6	-174.9	146.7	11.5	111.6	E272 L273 L274 S297 N317 N318	E272-R295 IonicContact OE1-NH2 3.42Å; E272-R295 IonicContact OE2-CZ 3.85Å; E272-R295 IonicContact OE2-NH1 3.09Å; E272-R295 PolarHBondContact OE2-NH1 3.48Å; E272-R295 IonicContact OE2-NH2 2.63Å; E272-R295 PolarHBondContact OE2-NH2 3.16Å; L273-R295 CarbonylContact O-C 3.19Å; L273-R295 VanDerWaalsContact O-CA 3.26Å; L273-R295 WeakPolarHBondContact O-CA 3.44Å; L273-R295 PolarHBondContact O-N 3.43Å; L274-R295 HydrophobicContact CD2-CB 4Å; R295-S297 PolarHBondContact O-N 2.95Å; R295-N317 PolarHBondContact N-OD1 3.14Å; R295-N318 WeakPolarHBondContact CA-OD1 3.49Å
296	L	98.1	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.			trans	-63.2	127.5	-173.7	-64.6	170.4	0	0	0	109.9	L273 L276 L291 N294 I299 N317 N318 I319	L273-L296 HydrophobicContact CB-CD2 3.91Å; L273-L296 HydrophobicContact CB-CG 4.48Å; L273-L296 PolarHBondContact O-N 3.01Å; L276-L296 HydrophobicContact CD1-CD1 4.32Å; L276-L296 HydrophobicContact CG-CD2 4Å; L291-L296 HydrophobicContact CB-CD1 4.12Å; L291-L296 HydrophobicContact CD1-CD1 4.34Å; L291-L296 HydrophobicContact CD2-CD1 4.14Å; L291-L296 HydrophobicContact CG-CD1 4.42Å; N294-L296 HydrophobicContact CB-CD1 4.47Å; N294-L296 HydrophobicContact CB-CG 4.11Å; L296-I299 HydrophobicContact CD1-CD1 3.99Å; L296-N317 HydrophobicContact CB-CB 4.26Å; L296-N317 VanDerWaalsContact CB-OD1 3.26Å; L296-N317 WeakPolarHBondContact CB-OD1 3.35Å; L296-N317 WeakPolarHBondContact CG-OD1 3.38Å; L296-N317 PolarHBondContact N-OD1 3.27Å; L296-N318 CarbonylContact O-C 3.57Å; L296-N318 VanDerWaalsContact O-CA 3.23Å; L296-N318 WeakPolarHBondContact O-CA 3.31Å; L296-N318 WeakPolarHBondContact O-CB 3.49Å; L296-N318 PolarHBondContact O-N 3.37Å; L296-I319 HydrophobicContact CB-CD1 4.35Å; L296-I319 HydrophobicContact CB-CG1 4.22Å; L296-I319 VanDerWaalsContact O-CG1 3.31Å; L296-I319 WeakPolarHBondContact O-CG1 3.31Å; L296-I319 PolarHBondContact O-N 2.93Å
297	S	96.3	Very high	96.2	Very high	72 Å²	72	44.6 Å²	44.6	50%	0.503	22%	0.221	S	C	.	.	S	Bend	trans	-91.6	-26.8	175.5	60.1	0	0	0	0	112.8	L274 R295	L274-S297 PolarHBondContact O-N 3.47Å; R295-S297 PolarHBondContact O-N 2.95Å
298	A	95.9	Very high	96.2	Very high	49 Å²	49	46.7 Å²	46.7	41%	0.405	23%	0.228	S	C	.	.			trans	-150.8	165.3	-179.5	0	0	0	0	0	111
299	I	96.3	Very high	96.3	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.041	21%	0.209	C	C	.	.			trans	-116.8	135.9	173.4	-62.4	-62.7	0	0	0	108.5	L276 L291 L296 L303 L314 I319 L322 P323 L326	L276-I299 HydrophobicContact CD1-CD1 4.15Å; L291-I299 HydrophobicContact CD1-CD1 4.32Å; L296-I299 HydrophobicContact CD1-CD1 3.99Å; I299-L303 HydrophobicContact CG2-CB 4.22Å; I299-L303 HydrophobicContact CG2-CD2 3.48Å; I299-L303 VanDerWaalsContact CG2-CD2 3.48Å; I299-L303 HydrophobicContact CG2-CG 4.49Å; I299-L314 HydrophobicContact CD1-CD1 4.25Å; I299-L314 HydrophobicContact CD1-CD2 3.79Å; I299-L314 HydrophobicContact CG1-CD1 3.93Å; I299-L314 HydrophobicContact CG1-CD2 4.39Å; I299-I319 HydrophobicContact CD1-CD1 3.94Å; I299-I319 HydrophobicContact CG1-CD1 3.83Å; I299-L322 HydrophobicContact CG1-CD2 4.32Å; I299-P323 WeakPolarHBondContact O-CG 3.13Å; I299-L326 HydrophobicContact CG2-CD2 4.02Å
300	P	96.2	Very high	96.1	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.058	23%	0.225	C	C	.	.			trans	-65.5	146.2	-179.3	25.4	-35	0	0	0	112.2	L276 E278 I280 S302 L303	L276-P300 HydrophobicContact CB-CG 3.91Å; E278-P300 HydrophobicContact CG-CB 4.18Å; E278-P300 WeakPolarHBondContact OE1-CA 3.4Å; E278-P300 WeakPolarHBondContact OE1-CB 3.18Å; E278-P300 WeakPolarHBondContact OE2-CB 3.48Å; I280-P300 HydrophobicContact CG2-CG 3.6Å; P300-S302 VanDerWaalsContact C-N 3.26Å; P300-S302 PolarHBondContact O-N 3.44Å; P300-L303 WeakPolarHBondContact O-CB 3.47Å; P300-L303 PolarHBondContact O-N 2.97Å
301	K	95.6	Very high	96.1	Very high	153 Å²	153	47.5 Å²	47.5	67%	0.665	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-64.7	-34.6	-179	-81.4	171.4	-178.2	-176.3	0	111.9	E278 L303 A304 P323	E278-K301 PolarHBondContact OE1-N 3.29Å; E278-K301 VanDerWaalsContact OE1-N 3.09Å; E278-K301 PolarHBondContact OE2-N 2.99Å; K301-L303 PolarHBondContact O-N 3.23Å; K301-L303 VanDerWaalsContact O-N 3.16Å; K301-A304 VanDerWaalsContact O-CB 3.31Å; K301-A304 WeakPolarHBondContact O-CB 3.44Å; K301-A304 PolarHBondContact O-N 2.92Å; K301-P323 HydrophobicContact CB-CB 4.46Å; K301-P323 HydrophobicContact CG-CB 3.54Å; K301-P323 HydrophobicContact CG-CG 4.05Å
302	S	96.4	Very high	96.1	Very high	14 Å²	14	47.5 Å²	47.5	10%	0.098	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-57.3	-23.1	177.8	54.8	0	0	0	0	114.4	E278 G281 P300 A304 K305	E278-S302 WeakPolarHBondContact CA-OG 3.47Å; E278-S302 WeakPolarHBondContact O-CB 3.19Å; E278-S302 PolarHBondContact O-OG 3.34Å; E278-S302 WeakPolarHBondContact OE2-CB 3.35Å; E278-S302 PolarHBondContact OE2-N 3.28Å; E278-S302 PolarHBondContact OE2-OG 3.5Å; G281-S302 WeakPolarHBondContact CA-O 3.27Å; P300-S302 VanDerWaalsContact C-N 3.26Å; P300-S302 PolarHBondContact O-N 3.44Å; S302-A304 PolarHBondContact O-N 3.35Å; S302-K305 WeakPolarHBondContact O-CB 3.13Å; S302-K305 WeakPolarHBondContact O-CG 3.25Å; S302-K305 PolarHBondContact O-N 3.48Å
303	L	96.4	Very high	96.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-57.7	-21.7	176.8	-170.1	67	0	0	0	112.3	I280 L289 I299 P300 K301 K305 C306 L309 L312 L326	I280-L303 HydrophobicContact CG2-CD1 4.29Å; L289-L303 HydrophobicContact CD2-CD1 3.66Å; L289-L303 HydrophobicContact CD2-CD2 4.33Å; I299-L303 HydrophobicContact CG2-CB 4.22Å; I299-L303 HydrophobicContact CG2-CD2 3.48Å; I299-L303 VanDerWaalsContact CG2-CD2 3.48Å; I299-L303 HydrophobicContact CG2-CG 4.49Å; P300-L303 WeakPolarHBondContact O-CB 3.47Å; P300-L303 PolarHBondContact O-N 2.97Å; K301-L303 PolarHBondContact O-N 3.23Å; K301-L303 VanDerWaalsContact O-N 3.16Å; L303-K305 PolarHBondContact O-N 3.33Å; L303-K305 VanDerWaalsContact O-N 3.09Å; L303-C306 HydrophobicContact CD1-CB 4.31Å; L303-C306 WeakPolarHBondContact O-CB 3.44Å; L303-C306 PolarHBondContact O-N 3.05Å; L303-L309 HydrophobicContact CD1-CD1 4.23Å; L303-L309 HydrophobicContact CG-CD1 4.46Å; L303-L312 HydrophobicContact CD2-CD1 4.46Å; L303-L326 HydrophobicContact CB-CD1 3.91Å; L303-L326 HydrophobicContact CD2-CD1 4.47Å; L303-L326 HydrophobicContact CG-CD1 4.26Å
304	A	94.8	Very high	96.1	Very high	23 Å²	23	41.9 Å²	41.9	19%	0.19	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-58	-19.5	172.3	0	0	0	0	0	114.1	K301 S302 L326 S329	K301-A304 VanDerWaalsContact O-CB 3.31Å; K301-A304 WeakPolarHBondContact O-CB 3.44Å; K301-A304 PolarHBondContact O-N 2.92Å; S302-A304 PolarHBondContact O-N 3.35Å; A304-L326 HydrophobicContact CB-CD1 3.96Å; A304-L326 VanDerWaalsContact N-CD1 3.29Å; A304-S329 WeakPolarHBondContact O-CB 3.45Å
305	K	95.2	Very high	96	Very high	131 Å²	131	43 Å²	43	57%	0.57	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-80.2	-15.4	176.8	-63.6	178	-178.3	176.3	0	113.6	G281 S302 L303 S307	G281-K305 VanDerWaalsContact O-CB 3.25Å; G281-K305 WeakPolarHBondContact O-CB 3.25Å; S302-K305 WeakPolarHBondContact O-CB 3.13Å; S302-K305 WeakPolarHBondContact O-CG 3.25Å; S302-K305 PolarHBondContact O-N 3.48Å; L303-K305 PolarHBondContact O-N 3.33Å; L303-K305 VanDerWaalsContact O-N 3.09Å; K305-S307 PolarHBondContact O-N 3Å
306	C	94.9	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.			trans	-80.8	67	179.1	-62.8	0	0	0	0	110.7	L283 L286 L303 E308 L309 L330	L283-C306 PolarHBondContact O-SG 3.2Å; L286-C306 HydrophobicContact CB-CB 4.49Å; L303-C306 HydrophobicContact CD1-CB 4.31Å; L303-C306 WeakPolarHBondContact O-CB 3.44Å; L303-C306 PolarHBondContact O-N 3.05Å; C306-E308 PolarHBondContact O-N 2.89Å; C306-E308 VanDerWaalsContact O-N 3.13Å; C306-L309 HydrophobicContact CB-CD1 3.75Å; C306-L309 HydrophobicContact CB-CG 4Å; C306-L309 WeakPolarHBondContact O-CG 3.38Å; C306-L309 PolarHBondContact O-N 2.78Å; C306-L330 WeakPolarHBondContact O-CD2 3.44Å
307	S	92.5	Very high	96.1	Very high	47 Å²	47	40.6 Å²	40.6	33%	0.329	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.3	-173.8	53.8	0	0	0	0	115.3	K305 L309	K305-S307 PolarHBondContact O-N 3Å; S307-L309 VanDerWaalsContact C-N 3.35Å
308	E	94.9	Very high	96.2	Very high	77 Å²	77	41.1 Å²	41.1	36%	0.36	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-4	-179.1	-67	-60.4	123.7	0	0	113.7	L286 C306 D310 K332	L286-E308 CarbonylContact O-C 3.12Å; C306-E308 PolarHBondContact O-N 2.89Å; C306-E308 VanDerWaalsContact O-N 3.13Å; E308-D310 PolarHBondContact O-N 3.18Å; E308-K332 IonicContact OE1-NZ 3.44Å; E308-K332 PolarHBondContact OE1-NZ 3.1Å; E308-K332 IonicContact OE2-NZ 3.86Å; E308-K332 PolarHBondContact OE2-NZ 2.88Å
309	L	95.4	Very high	96.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.			trans	-65.4	122.7	177	-69.5	173.5	0	0	0	111.3	L286 L289 L303 C306 S307 L330 K332 L333	L286-L309 HydrophobicContact CD2-CD2 4.43Å; L286-L309 HydrophobicContact CG-CD2 4.16Å; L286-L309 PolarHBondContact O-N 3.11Å; L289-L309 HydrophobicContact CB-CD2 4.01Å; L303-L309 HydrophobicContact CD1-CD1 4.23Å; L303-L309 HydrophobicContact CG-CD1 4.46Å; C306-L309 HydrophobicContact CB-CD1 3.75Å; C306-L309 HydrophobicContact CB-CG 4Å; C306-L309 WeakPolarHBondContact O-CG 3.38Å; C306-L309 PolarHBondContact O-N 2.78Å; S307-L309 VanDerWaalsContact C-N 3.35Å; L309-L330 HydrophobicContact CD1-CD1 4.42Å; L309-L330 HydrophobicContact CD1-CD2 4.16Å; L309-K332 CarbonylContact O-C 3.56Å; L309-L333 PolarHBondContact O-N 2.74Å
310	D	93.8	Very high	96.2	Very high	69 Å²	69	41 Å²	41	37%	0.369	21%	0.213	S	C	.	.	S	Bend	trans	-96.9	-30.4	176	60.8	-10.4	0	0	0	112.8	E308 T334 S335	E308-D310 PolarHBondContact O-N 3.18Å; D310-T334 PolarHBondContact O-N 3.14Å; D310-T334 PolarHBondContact O-OG1 3.11Å; D310-S335 PolarHBondContact O-N 3.28Å
311	E	96	Very high	96.2	Very high	64 Å²	64	44.9 Å²	44.9	30%	0.299	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136	177.6	-179	176.1	174.1	0	0	111.3	S335	E311-S335 WeakPolarHBondContact CA-O 3.49Å
312	L	96.9	Very high	96.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	107.6	171.8	-179.2	60.1	0	0	0	109.4	L303 L314 L327 L330 L333 S335 L336 T337	L303-L312 HydrophobicContact CD2-CD1 4.46Å; L312-L314 HydrophobicContact CD1-CD1 4.48Å; L312-L314 HydrophobicContact CD1-CD2 4Å; L312-L314 HydrophobicContact CD1-CG 4.1Å; L312-L314 HydrophobicContact CD2-CD1 4.26Å; L312-L314 HydrophobicContact CG-CD1 4.27Å; L312-L314 HydrophobicContact CG-CG 4.11Å; L312-L327 HydrophobicContact CD2-CD2 4.39Å; L312-L330 HydrophobicContact CD2-CD1 4.28Å; L312-L333 HydrophobicContact CB-CD1 3.69Å; L312-L333 HydrophobicContact CB-CD2 4.43Å; L312-S335 PolarHBondContact N-O 2.89Å; L312-L336 HydrophobicContact CB-CD1 4.05Å; L312-L336 HydrophobicContact CD2-CD1 4.06Å; L312-L336 HydrophobicContact CG-CD1 4.14Å; L312-T337 PolarHBondContact O-N 2.93Å
313	N	97.6	Very high	96.2	Very high	31 Å²	31	38.1 Å²	38.1	17%	0.166	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	110.6	178.3	-171.5	-20.9	0	0	0	110.8	E315	N313-E315 WeakPolarHBondContact OD1-CB 3.38Å; N313-E315 PolarHBondContact OD1-N 2.82Å
314	L	97.8	Very high	96	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.			trans	-111.3	19.6	179.2	-60.1	177	0	0	0	111.9	L291 I299 L312 N317 I319 L322 T337 L338 N341	L291-L314 HydrophobicContact CB-CD2 3.9Å; L291-L314 HydrophobicContact CD1-CD2 3.59Å; L291-L314 HydrophobicContact CG-CD2 4.42Å; I299-L314 HydrophobicContact CD1-CD1 4.25Å; I299-L314 HydrophobicContact CD1-CD2 3.79Å; I299-L314 HydrophobicContact CG1-CD1 3.93Å; I299-L314 HydrophobicContact CG1-CD2 4.39Å; L312-L314 HydrophobicContact CD1-CD1 4.48Å; L312-L314 HydrophobicContact CD1-CD2 4Å; L312-L314 HydrophobicContact CD1-CG 4.1Å; L312-L314 HydrophobicContact CD2-CD1 4.26Å; L312-L314 HydrophobicContact CG-CD1 4.27Å; L312-L314 HydrophobicContact CG-CG 4.11Å; L314-N317 PolarHBondContact O-ND2 2.92Å; L314-N317 VanDerWaalsContact O-ND2 3.08Å; L314-I319 HydrophobicContact CB-CD1 3.98Å; L314-I319 HydrophobicContact CD1-CD1 3.88Å; L314-I319 HydrophobicContact CD2-CD1 4.35Å; L314-I319 HydrophobicContact CG-CD1 4.29Å; L314-L322 HydrophobicContact CD1-CD2 4.01Å; L314-T337 PolarHBondContact N-O 2.77Å; L314-L338 HydrophobicContact CB-CD2 4.18Å; L314-L338 HydrophobicContact CD1-CD2 3.77Å; L314-L338 HydrophobicContact CG-CD2 4.36Å; L314-N341 PolarHBondContact O-ND2 2.59Å
315	E	98.1	Very high	95.8	Very high	35 Å²	35	45.6 Å²	45.6	16%	0.164	25%	0.245	C	C	.	.			trans	-53.6	139.6	-176.1	-173.7	-167.6	162.7	0	0	112.3	R292 Y293 N313 N317 T337 A339 R340	R292-E315 CarbonylContact C-O 3.5Å; R292-E315 WeakPolarHBondContact CA-O 3.45Å; R292-E315 HydrophobicContact CB-CB 4.21Å; Y293-E315 PolarHBondContact N-O 2.79Å; Y293-E315 PolarHBondContact OH-OE1 3.11Å; N313-E315 WeakPolarHBondContact OD1-CB 3.38Å; N313-E315 PolarHBondContact OD1-N 2.82Å; E315-N317 PolarHBondContact O-ND2 3.14Å; E315-T337 HydrophobicContact CB-CG2 4.06Å; E315-A339 VanDerWaalsContact CA-O 3.27Å; E315-A339 WeakPolarHBondContact CA-O 3.47Å; E315-A339 HydrophobicContact CG-CB 4.27Å; E315-R340 HydrophobicContact CG-CB 4.47Å; E315-R340 HydrophobicContact CG-CG 4.5Å; E315-R340 IonicContact OE1-NE 3.17Å
316	N	98.2	Very high	95.8	Very high	63 Å²	63	39.4 Å²	39.4	34%	0.337	22%	0.218	S	C	.	.	S	Bend	trans	58.5	63.8	173.2	-158.6	27.5	0	0	0	112.1	Y293 N294 A339 R340	Y293-N316 VanDerWaalsContact CA-O 3.29Å; Y293-N316 WeakPolarHBondContact CA-O 3.18Å; Y293-N316 HydrophobicContact CD1-CB 4Å; Y293-N316 WeakPolarHBondContact CD1-ND2 3.16Å; Y293-N316 HydrophobicContact CD2-CB 4.48Å; Y293-N316 HydrophobicContact CE1-CB 4.08Å; Y293-N316 WeakPolarHBondContact CE1-ND2 3.07Å; Y293-N316 HydrophobicContact CG-CB 4.17Å; Y293-N316 PolarHBondContact N-O 3.24Å; N294-N316 PolarHBondContact N-O 3.31Å; N294-N316 VanDerWaalsContact O-O 3.12Å; N316-A339 PolarHBondContact N-O 3.41Å; N316-A339 VanDerWaalsContact N-O 3.1Å; N316-R340 WeakPolarHBondContact CA-O 3.4Å; N316-R340 HydrophobicContact CB-CB 4.13Å; N316-R340 PolarHBondContact N-O 3.1Å
317	N	98.5	Very high	95.9	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.037	22%	0.219	C	C	.	.	S	Bend	trans	-133.9	-174.9	173.7	-84	-78.5	0	0	0	109.2	L291 N294 R295 L296 L314 E315 I319 R340 N341	L291-N317 PolarHBondContact O-ND2 3.22Å; N294-N317 WeakPolarHBondContact CA-OD1 3.1Å; N294-N317 WeakPolarHBondContact CB-OD1 3.42Å; N294-N317 PolarHBondContact O-OD1 3.26Å; R295-N317 PolarHBondContact N-OD1 3.14Å; L296-N317 HydrophobicContact CB-CB 4.26Å; L296-N317 VanDerWaalsContact CB-OD1 3.26Å; L296-N317 WeakPolarHBondContact CB-OD1 3.35Å; L296-N317 WeakPolarHBondContact CG-OD1 3.38Å; L296-N317 PolarHBondContact N-OD1 3.27Å; L314-N317 PolarHBondContact O-ND2 2.92Å; L314-N317 VanDerWaalsContact O-ND2 3.08Å; E315-N317 PolarHBondContact O-ND2 3.14Å; N317-I319 HydrophobicContact CB-CD1 4.09Å; N317-I319 HydrophobicContact CB-CG1 4.02Å; N317-R340 PolarHBondContact N-O 2.81Å; N317-N341 WeakPolarHBondContact CA-OD1 3.29Å; N317-N341 VanDerWaalsContact CB-OD1 3.22Å; N317-N341 WeakPolarHBondContact CB-OD1 3.41Å; N317-N341 PolarHBondContact O-OD1 3.24Å
318	N	97.9	Very high	95.9	Very high	84 Å²	84	39.7 Å²	39.7	45%	0.449	22%	0.22	S	C	.	.			trans	-106.5	25.8	179.6	-65.4	89.8	0	0	0	112.2	R295 L296	R295-N318 WeakPolarHBondContact CA-OD1 3.49Å; L296-N318 CarbonylContact O-C 3.57Å; L296-N318 VanDerWaalsContact O-CA 3.23Å; L296-N318 WeakPolarHBondContact O-CA 3.31Å; L296-N318 WeakPolarHBondContact O-CB 3.49Å; L296-N318 PolarHBondContact O-N 3.37Å
319	I	97.6	Very high	95.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.22	C	C	.	.			trans	-76.3	133.8	-172.6	-57.6	169	0	0	0	109.8	L296 I299 L314 N317 T321 L322 N341 C342 F343	L296-I319 HydrophobicContact CB-CD1 4.35Å; L296-I319 HydrophobicContact CB-CG1 4.22Å; L296-I319 VanDerWaalsContact O-CG1 3.31Å; L296-I319 WeakPolarHBondContact O-CG1 3.31Å; L296-I319 PolarHBondContact O-N 2.93Å; I299-I319 HydrophobicContact CD1-CD1 3.94Å; I299-I319 HydrophobicContact CG1-CD1 3.83Å; L314-I319 HydrophobicContact CB-CD1 3.98Å; L314-I319 HydrophobicContact CD1-CD1 3.88Å; L314-I319 HydrophobicContact CD2-CD1 4.35Å; L314-I319 HydrophobicContact CG-CD1 4.29Å; N317-I319 HydrophobicContact CB-CD1 4.09Å; N317-I319 HydrophobicContact CB-CG1 4.02Å; I319-T321 VanDerWaalsContact CG2-O 3.24Å; I319-T321 WeakPolarHBondContact CG2-O 3.36Å; I319-L322 HydrophobicContact CG2-CD2 4.17Å; I319-N341 WeakPolarHBondContact CB-OD1 3.33Å; I319-N341 PolarHBondContact N-OD1 3.04Å; I319-C342 CarbonylContact O-C 3.05Å; I319-C342 WeakPolarHBondContact O-CA 3.07Å; I319-C342 WeakPolarHBondContact O-CB 3.35Å; I319-C342 PolarHBondContact O-N 2.91Å; I319-F343 HydrophobicContact CB-CE2 4.29Å; I319-F343 HydrophobicContact CB-CZ 4.3Å; I319-F343 HydrophobicContact CG2-CE1 4.3Å; I319-F343 HydrophobicContact CG2-CE2 4.08Å; I319-F343 HydrophobicContact CG2-CZ 3.59Å
320	S	96.3	Very high	95.8	Very high	54 Å²	54	38.5 Å²	38.5	38%	0.378	22%	0.22	S	C	.	.			trans	-112.6	-25.3	177.7	56.8	0	0	0	0	113.5	F343	S320-F343 VanDerWaalsContact O-CD1 3.25Å; S320-F343 WeakPolarHBondContact O-CD1 3.26Å
321	T	95.8	Very high	95.7	Very high	90 Å²	90	39.7 Å²	39.7	55%	0.552	23%	0.229	S	C	*	.			trans	-146.3	153.9	-179.3	59.8	0	0	0	0	110.1	I319	I319-T321 VanDerWaalsContact CG2-O 3.24Å; I319-T321 WeakPolarHBondContact CG2-O 3.36Å
322	L	96.5	Very high	95.7	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	24%	0.235	C	C	.	.			trans	-107.4	150.6	168.1	-62.8	179	0	0	0	109.6	I299 L314 I319 L327 L338 F343 P347	I299-L322 HydrophobicContact CG1-CD2 4.32Å; L314-L322 HydrophobicContact CD1-CD2 4.01Å; I319-L322 HydrophobicContact CG2-CD2 4.17Å; L322-L327 HydrophobicContact CD1-CD1 3.91Å; L322-L327 HydrophobicContact CD1-CD2 4.23Å; L322-L327 HydrophobicContact CD1-CG 4.11Å; L322-L338 HydrophobicContact CD1-CD1 4.03Å; L322-L338 HydrophobicContact CD1-CD2 4.12Å; L322-F343 HydrophobicContact CD2-CZ 4.17Å; L322-F343 HydrophobicContact CG-CE1 4.12Å; L322-F343 HydrophobicContact CG-CZ 3.98Å; L322-P347 HydrophobicContact CB-CB 4.28Å; L322-P347 HydrophobicContact CD1-CB 4.13Å; L322-P347 HydrophobicContact CD1-CG 3.91Å; L322-P347 HydrophobicContact CG-CB 4.45Å; L322-P347 HydrophobicContact CG-CG 4.39Å
323	P	95.1	Very high	95.7	Very high	21 Å²	21	41.3 Å²	41.3	14%	0.136	24%	0.235	C	C	.	.			trans	-61.1	141	174.2	-17.7	28	0	0	0	112.8	I299 K301 G325 L326	I299-P323 WeakPolarHBondContact O-CG 3.13Å; K301-P323 HydrophobicContact CB-CB 4.46Å; K301-P323 HydrophobicContact CG-CB 3.54Å; K301-P323 HydrophobicContact CG-CG 4.05Å; P323-G325 PolarHBondContact O-N 2.63Å; P323-L326 HydrophobicContact CB-CB 4.42Å; P323-L326 HydrophobicContact CG-CD2 4.42Å; P323-L326 VanDerWaalsContact O-CB 3.26Å; P323-L326 WeakPolarHBondContact O-CB 3.31Å; P323-L326 PolarHBondContact O-N 2.81Å
324	E	92.9	Very high	95.7	Very high	156 Å²	156	43.3 Å²	43.3	73%	0.729	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	134.4	176.9	-171.2	177.4	-175.7	0	0	111.3	L326 V348	E324-L326 PolarHBondContact O-N 2.88Å; E324-V348 HydrophobicContact CB-CG2 3.91Å; E324-V348 HydrophobicContact CG-CG2 4.39Å
325	G	90.9	Very high	95.7	Very high	23 Å²	23	44.6 Å²	44.6	24%	0.237	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	-5	178.9	0	0	0	0	0	115.2	P323 S328 S329	P323-G325 PolarHBondContact O-N 2.63Å; G325-S328 VanDerWaalsContact CA-OG 3.32Å; G325-S328 WeakPolarHBondContact CA-OG 3.14Å; G325-S328 PolarHBondContact O-OG 3.08Å; G325-S329 WeakPolarHBondContact O-CB 3.49Å; G325-S329 PolarHBondContact O-N 3.15Å; G325-S329 VanDerWaalsContact O-N 3.17Å; G325-S329 PolarHBondContact O-OG 2.84Å
326	L	95.3	Very high	95.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-57	-60.1	178.6	174.2	61.5	0	0	0	110.7	I299 L303 A304 P323 E324 S328 S329 L330	I299-L326 HydrophobicContact CG2-CD2 4.02Å; L303-L326 HydrophobicContact CB-CD1 3.91Å; L303-L326 HydrophobicContact CD2-CD1 4.47Å; L303-L326 HydrophobicContact CG-CD1 4.26Å; A304-L326 HydrophobicContact CB-CD1 3.96Å; A304-L326 VanDerWaalsContact N-CD1 3.29Å; P323-L326 HydrophobicContact CB-CB 4.42Å; P323-L326 HydrophobicContact CG-CD2 4.42Å; P323-L326 VanDerWaalsContact O-CB 3.26Å; P323-L326 WeakPolarHBondContact O-CB 3.31Å; P323-L326 PolarHBondContact O-N 2.81Å; E324-L326 PolarHBondContact O-N 2.88Å; L326-S328 VanDerWaalsContact C-N 3.33Å; L326-S328 PolarHBondContact O-N 3.04Å; L326-S329 PolarHBondContact O-N 3.27Å; L326-S329 VanDerWaalsContact O-N 3.13Å; L326-L330 HydrophobicContact CD1-CD1 4.37Å; L326-L330 WeakPolarHBondContact O-CG 3.16Å; L326-L330 PolarHBondContact O-N 3.28Å
327	L	95.1	Very high	95.7	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-65.8	-34	-175.3	-66.3	-177.8	0	0	0	112.8	L312 L322 S329 L330 L333 L336 P347 Q353 F354	L312-L327 HydrophobicContact CD2-CD2 4.39Å; L322-L327 HydrophobicContact CD1-CD1 3.91Å; L322-L327 HydrophobicContact CD1-CD2 4.23Å; L322-L327 HydrophobicContact CD1-CG 4.11Å; L327-S329 VanDerWaalsContact C-N 3.26Å; L327-S329 PolarHBondContact O-N 3.45Å; L327-L330 PolarHBondContact O-N 2.87Å; L327-L333 HydrophobicContact CD2-CD2 3.92Å; L327-L336 HydrophobicContact CD1-CD2 3.62Å; L327-L336 HydrophobicContact CD2-CD1 4.11Å; L327-L336 HydrophobicContact CD2-CD2 3.76Å; L327-L336 HydrophobicContact CG-CD2 4.35Å; L327-P347 HydrophobicContact CD1-CB 4.33Å; L327-P347 HydrophobicContact CD1-CG 4.46Å; L327-Q353 HydrophobicContact CB-CB 3.89Å; L327-Q353 HydrophobicContact CD1-CG 4.43Å; L327-F354 HydrophobicContact CD1-CE1 4.42Å
328	S	93.4	Very high	95.6	Very high	49 Å²	49	40.3 Å²	40.3	34%	0.343	24%	0.237	S	C	.	.	H	α-helix	trans	-70.9	-20.6	176.2	54.3	0	0	0	0	113.9	G325 L326	G325-S328 VanDerWaalsContact CA-OG 3.32Å; G325-S328 WeakPolarHBondContact CA-OG 3.14Å; G325-S328 PolarHBondContact O-OG 3.08Å; L326-S328 VanDerWaalsContact C-N 3.33Å; L326-S328 PolarHBondContact O-N 3.04Å
329	S	93.4	Very high	95.7	Very high	52 Å²	52	36.5 Å²	36.5	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-83.9	-23.6	178.1	-56.1	0	0	0	0	112.4	A304 G325 L326 L327 V331	A304-S329 WeakPolarHBondContact O-CB 3.45Å; G325-S329 WeakPolarHBondContact O-CB 3.49Å; G325-S329 PolarHBondContact O-N 3.15Å; G325-S329 VanDerWaalsContact O-N 3.17Å; G325-S329 PolarHBondContact O-OG 2.84Å; L326-S329 PolarHBondContact O-N 3.27Å; L326-S329 VanDerWaalsContact O-N 3.13Å; L327-S329 VanDerWaalsContact C-N 3.26Å; L327-S329 PolarHBondContact O-N 3.45Å; S329-V331 VanDerWaalsContact C-N 3.3Å; S329-V331 PolarHBondContact O-N 2.84Å
330	L	94.3	Very high	95.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.236	C	C	.	.			trans	-82.6	73.3	-179.3	-59.3	178.6	0	0	0	110.8	C306 L309 L312 L326 L327 K332 L333	C306-L330 WeakPolarHBondContact O-CD2 3.44Å; L309-L330 HydrophobicContact CD1-CD1 4.42Å; L309-L330 HydrophobicContact CD1-CD2 4.16Å; L312-L330 HydrophobicContact CD2-CD1 4.28Å; L326-L330 HydrophobicContact CD1-CD1 4.37Å; L326-L330 WeakPolarHBondContact O-CG 3.16Å; L326-L330 PolarHBondContact O-N 3.28Å; L327-L330 PolarHBondContact O-N 2.87Å; L330-K332 PolarHBondContact O-N 2.94Å; L330-K332 VanDerWaalsContact O-N 3.14Å; L330-L333 HydrophobicContact CB-CB 3.8Å; L330-L333 HydrophobicContact CB-CD2 4.24Å; L330-L333 HydrophobicContact CD1-CD2 4.06Å; L330-L333 WeakPolarHBondContact O-CB 3.18Å; L330-L333 PolarHBondContact O-N 3.35Å
331	V	93.1	Very high	95.8	Very high	94 Å²	94	39.5 Å²	39.5	57%	0.57	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-16	-171.4	-62.7	0	0	0	0	115.4	S329 T356	S329-V331 VanDerWaalsContact C-N 3.3Å; S329-V331 PolarHBondContact O-N 2.84Å; V331-T356 WeakPolarHBondContact O-CG2 3.04Å
332	K	95.6	Very high	95.9	Very high	98 Å²	98	36.9 Å²	36.9	43%	0.426	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-3	174.8	-67.8	-171.9	179.9	173.3	0	113.4	E308 L309 L330 T334	E308-K332 IonicContact OE1-NZ 3.44Å; E308-K332 PolarHBondContact OE1-NZ 3.1Å; E308-K332 IonicContact OE2-NZ 3.86Å; E308-K332 PolarHBondContact OE2-NZ 2.88Å; L309-K332 CarbonylContact O-C 3.56Å; L330-K332 PolarHBondContact O-N 2.94Å; L330-K332 VanDerWaalsContact O-N 3.14Å; K332-T334 PolarHBondContact O-N 2.8Å
333	L	96.3	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.204	C	C	.	.			trans	-70.2	116.3	-175	-174.1	68.9	0	0	0	110.6	L309 L312 L327 L330 S335 T356 I357	L309-L333 PolarHBondContact O-N 2.74Å; L312-L333 HydrophobicContact CB-CD1 3.69Å; L312-L333 HydrophobicContact CB-CD2 4.43Å; L327-L333 HydrophobicContact CD2-CD2 3.92Å; L330-L333 HydrophobicContact CB-CB 3.8Å; L330-L333 HydrophobicContact CB-CD2 4.24Å; L330-L333 HydrophobicContact CD1-CD2 4.06Å; L330-L333 WeakPolarHBondContact O-CB 3.18Å; L330-L333 PolarHBondContact O-N 3.35Å; L333-S335 WeakPolarHBondContact CD1-O 3.21Å; L333-T356 CarbonylContact O-C 3.49Å; L333-T356 WeakPolarHBondContact O-CB 3.27Å; L333-T356 PolarHBondContact O-OG1 3.26Å; L333-I357 HydrophobicContact CD2-CD1 4.32Å
334	T	96.9	Very high	96	Very high	72 Å²	72	41.7 Å²	41.7	44%	0.442	23%	0.226	S	C	.	.			trans	-109.5	-30.5	179.7	61.3	0	0	0	0	112.5	D310 K332 Y358 S359	D310-T334 PolarHBondContact O-N 3.14Å; D310-T334 PolarHBondContact O-OG1 3.11Å; K332-T334 PolarHBondContact O-N 2.8Å; T334-Y358 PolarHBondContact O-N 3.42Å; T334-S359 PolarHBondContact O-N 3.2Å; T334-S359 VanDerWaalsContact O-N 3.1Å
335	S	97.9	Very high	96.2	Very high	27 Å²	27	37.4 Å²	37.4	19%	0.189	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.1	-178.4	-176.7	0	0	0	0	110.6	D310 E311 L312 L333	D310-S335 PolarHBondContact O-N 3.28Å; E311-S335 WeakPolarHBondContact CA-O 3.49Å; L312-S335 PolarHBondContact N-O 2.89Å; L333-S335 WeakPolarHBondContact CD1-O 3.21Å
336	L	97.9	Very high	96.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.4	178.6	178.5	59.5	0	0	0	110.1	L312 L327 L338 F354 I357 S359 L360 N361	L312-L336 HydrophobicContact CB-CD1 4.05Å; L312-L336 HydrophobicContact CD2-CD1 4.06Å; L312-L336 HydrophobicContact CG-CD1 4.14Å; L327-L336 HydrophobicContact CD1-CD2 3.62Å; L327-L336 HydrophobicContact CD2-CD1 4.11Å; L327-L336 HydrophobicContact CD2-CD2 3.76Å; L327-L336 HydrophobicContact CG-CD2 4.35Å; L336-L338 HydrophobicContact CD1-CD1 4.46Å; L336-L338 HydrophobicContact CD1-CD2 3.91Å; L336-L338 HydrophobicContact CD1-CG 4.01Å; L336-L338 HydrophobicContact CD2-CD1 4.08Å; L336-L338 HydrophobicContact CD2-CG 4.41Å; L336-L338 HydrophobicContact CG-CD1 4.24Å; L336-L338 HydrophobicContact CG-CD2 4.46Å; L336-L338 HydrophobicContact CG-CG 4.02Å; L336-F354 HydrophobicContact CD2-CE1 4.35Å; L336-I357 HydrophobicContact CB-CD1 4.03Å; L336-I357 HydrophobicContact CB-CG2 4.46Å; L336-I357 HydrophobicContact CD2-CD1 3.72Å; L336-S359 PolarHBondContact N-O 3.36Å; L336-L360 HydrophobicContact CB-CD1 4.1Å; L336-L360 HydrophobicContact CD2-CD1 3.84Å; L336-L360 HydrophobicContact CG-CD1 3.93Å; L336-L360 WeakPolarHBondContact O-CA 3.27Å; L336-N361 PolarHBondContact O-N 3.45Å
337	T	98.3	Very high	96.3	Very high	16 Å²	16	37.2 Å²	37.2	10%	0.098	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.3	174.9	-59.9	0	0	0	0	110.3	L312 L314 E315 A339 N361	L312-T337 PolarHBondContact O-N 2.93Å; L314-T337 PolarHBondContact N-O 2.77Å; E315-T337 HydrophobicContact CB-CG2 4.06Å; T337-A339 HydrophobicContact CG2-CB 4.02Å; T337-N361 HydrophobicContact CG2-CB 4.2Å
338	L	98.1	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.			trans	-117.2	16.6	176.8	-58.9	177	0	0	0	111.5	L314 L322 L336 N341 F343 P347 N361 M362 N365	L314-L338 HydrophobicContact CB-CD2 4.18Å; L314-L338 HydrophobicContact CD1-CD2 3.77Å; L314-L338 HydrophobicContact CG-CD2 4.36Å; L322-L338 HydrophobicContact CD1-CD1 4.03Å; L322-L338 HydrophobicContact CD1-CD2 4.12Å; L336-L338 HydrophobicContact CD1-CD1 4.46Å; L336-L338 HydrophobicContact CD1-CD2 3.91Å; L336-L338 HydrophobicContact CD1-CG 4.01Å; L336-L338 HydrophobicContact CD2-CD1 4.08Å; L336-L338 HydrophobicContact CD2-CG 4.41Å; L336-L338 HydrophobicContact CG-CD1 4.24Å; L336-L338 HydrophobicContact CG-CD2 4.46Å; L336-L338 HydrophobicContact CG-CG 4.02Å; L338-N341 PolarHBondContact O-ND2 3.29Å; L338-F343 HydrophobicContact CB-CD2 4.34Å; L338-F343 HydrophobicContact CB-CE2 3.89Å; L338-F343 HydrophobicContact CD1-CE2 4.34Å; L338-F343 HydrophobicContact CD1-CZ 4.22Å; L338-F343 HydrophobicContact CD2-CE2 4.23Å; L338-F343 HydrophobicContact CD2-CZ 4.24Å; L338-F343 HydrophobicContact CG-CE2 4.37Å; L338-P347 HydrophobicContact CD1-CG 4.07Å; L338-N361 PolarHBondContact N-O 2.97Å; L338-M362 HydrophobicContact CB-CE 4.35Å; L338-M362 HydrophobicContact CB-CG 4.32Å; L338-M362 HydrophobicContact CD1-CE 3.6Å; L338-M362 HydrophobicContact CD1-CG 4.5Å; L338-N365 PolarHBondContact O-ND2 3.08Å
339	A	98.3	Very high	95.7	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.025	22%	0.224	C	C	.	.			trans	-63.3	155.5	-175.5	0	0	0	0	0	112.5	E315 N316 T337 N341 N361 E363	E315-A339 VanDerWaalsContact CA-O 3.27Å; E315-A339 WeakPolarHBondContact CA-O 3.47Å; E315-A339 HydrophobicContact CG-CB 4.27Å; N316-A339 PolarHBondContact N-O 3.41Å; N316-A339 VanDerWaalsContact N-O 3.1Å; T337-A339 HydrophobicContact CG2-CB 4.02Å; A339-N341 PolarHBondContact O-N 3.43Å; A339-N341 PolarHBondContact O-ND2 2.94Å; A339-N361 PolarHBondContact N-O 2.92Å; A339-E363 CarbonylContact C-O 3.25Å; A339-E363 WeakPolarHBondContact CA-O 3.33Å; A339-E363 HydrophobicContact CB-CB 4.18Å; A339-E363 WeakPolarHBondContact CB-O 3.24Å
340	R	98.4	Very high	95.7	Very high	107 Å²	107	38.8 Å²	38.8	40%	0.404	22%	0.222	S	C	.	.	S	Bend	trans	54.3	52	176.8	-55.8	176.8	171.4	-99.6	-7.9	112.2	E315 N316 N317 E363 H364	E315-R340 HydrophobicContact CG-CB 4.47Å; E315-R340 HydrophobicContact CG-CG 4.5Å; E315-R340 IonicContact OE1-NE 3.17Å; N316-R340 WeakPolarHBondContact CA-O 3.4Å; N316-R340 HydrophobicContact CB-CB 4.13Å; N316-R340 PolarHBondContact N-O 3.1Å; N317-R340 PolarHBondContact N-O 2.81Å; R340-E363 PolarHBondContact N-O 3.3Å; R340-H364 WeakPolarHBondContact CA-O 3.47Å; R340-H364 HydrophobicContact CG-CB 3.91Å; R340-H364 PolarHBondContact N-O 3.04Å
341	N	98.5	Very high	95.7	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.059	23%	0.234	C	C	.	.	S	Bend	trans	-127.4	-166.1	178	-88.6	-80.8	0	0	0	110.2	L314 N317 I319 L338 A339 F343 H364 N365	L314-N341 PolarHBondContact O-ND2 2.59Å; N317-N341 WeakPolarHBondContact CA-OD1 3.29Å; N317-N341 VanDerWaalsContact CB-OD1 3.22Å; N317-N341 WeakPolarHBondContact CB-OD1 3.41Å; N317-N341 PolarHBondContact O-OD1 3.24Å; I319-N341 WeakPolarHBondContact CB-OD1 3.33Å; I319-N341 PolarHBondContact N-OD1 3.04Å; L338-N341 PolarHBondContact O-ND2 3.29Å; A339-N341 PolarHBondContact O-N 3.43Å; A339-N341 PolarHBondContact O-ND2 2.94Å; N341-F343 HydrophobicContact CB-CD2 3.63Å; N341-F343 HydrophobicContact CB-CE2 3.78Å; N341-H364 PolarHBondContact N-O 3.14Å; N341-N365 WeakPolarHBondContact CA-OD1 3.36Å; N341-N365 VanDerWaalsContact CB-OD1 3.31Å; N341-N365 WeakPolarHBondContact CB-OD1 3.36Å; N341-N365 PolarHBondContact N-OD1 2.93Å; N341-N365 PolarHBondContact O-OD1 3.11Å; N341-N365 VanDerWaalsContact O-OD1 3.09Å
342	C	97.8	Very high	95.7	Very high	34 Å²	34	38.7 Å²	38.7	23%	0.23	23%	0.225	C	C	.	.			trans	-109.1	24.3	-177.6	-66.5	0	0	0	0	112.7	I319 Q344 N365	I319-C342 CarbonylContact O-C 3.05Å; I319-C342 WeakPolarHBondContact O-CA 3.07Å; I319-C342 WeakPolarHBondContact O-CB 3.35Å; I319-C342 PolarHBondContact O-N 2.91Å; C342-Q344 PolarHBondContact O-N 3.25Å; C342-N365 PolarHBondContact N-OD1 2.89Å
343	F	97.9	Very high	95.7	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	21%	0.206	C	C	.	.			trans	-66.4	122.8	-178.7	-72	-83.1	0	0	0	110.9	I319 S320 L322 L338 N341 P347 M362 N365 R366 I367	I319-F343 HydrophobicContact CB-CE2 4.29Å; I319-F343 HydrophobicContact CB-CZ 4.3Å; I319-F343 HydrophobicContact CG2-CE1 4.3Å; I319-F343 HydrophobicContact CG2-CE2 4.08Å; I319-F343 HydrophobicContact CG2-CZ 3.59Å; S320-F343 VanDerWaalsContact O-CD1 3.25Å; S320-F343 WeakPolarHBondContact O-CD1 3.26Å; L322-F343 HydrophobicContact CD2-CZ 4.17Å; L322-F343 HydrophobicContact CG-CE1 4.12Å; L322-F343 HydrophobicContact CG-CZ 3.98Å; L338-F343 HydrophobicContact CB-CD2 4.34Å; L338-F343 HydrophobicContact CB-CE2 3.89Å; L338-F343 HydrophobicContact CD1-CE2 4.34Å; L338-F343 HydrophobicContact CD1-CZ 4.22Å; L338-F343 HydrophobicContact CD2-CE2 4.23Å; L338-F343 HydrophobicContact CD2-CZ 4.24Å; L338-F343 HydrophobicContact CG-CE2 4.37Å; N341-F343 HydrophobicContact CB-CD2 3.63Å; N341-F343 HydrophobicContact CB-CE2 3.78Å; F343-P347 HydrophobicContact CE1-CG 4.38Å; F343-M362 HydrophobicContact CG-CE 4.49Å; F343-N365 HydrophobicContact CB-CB 4.28Å; F343-N365 WeakPolarHBondContact CB-OD1 3.03Å; F343-N365 WeakPolarHBondContact CD2-OD1 3.27Å; F343-N365 PolarHBondContact N-OD1 3.15Å; F343-R366 CarbonylContact O-C 2.99Å; F343-R366 VanDerWaalsContact O-CA 3.28Å; F343-R366 WeakPolarHBondContact O-CA 3.26Å; F343-R366 PolarHBondContact O-N 3.45Å; F343-I367 HydrophobicContact CB-CD1 4.14Å; F343-I367 HydrophobicContact CB-CG1 4.03Å; F343-I367 PolarHBondContact O-N 3Å
344	Q	96.7	Very high	95.6	Very high	126 Å²	126	34.2 Å²	34.2	59%	0.589	21%	0.206	S	C	*	.	S	Bend	trans	-96.2	-19.8	173	-63.8	177.8	36.3	0	0	112.1	C342 R366	C342-Q344 PolarHBondContact O-N 3.25Å; Q344-R366 WeakPolarHBondContact CA-O 3.37Å; Q344-R366 HydrophobicContact CG-CB 4.29Å
345	S	95.9	Very high	95.6	Very high	66 Å²	66	33.4 Å²	33.4	46%	0.462	20%	0.202	S	C	.	.	S	Bend	trans	-145.3	167.7	179.2	57.9	0	0	0	0	109.9
346	Y	94.8	Very high	95.5	Very high	13 Å²	13	34 Å²	34	5%	0.051	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-63.7	150.6	173	-92.3	-110.1	0	0	0	112	F354 L360 M362 I367 I370 P371 I374 F375 M386	Y346-F354 HydrophobicContact CD1-CE2 4.18Å; Y346-F354 HydrophobicContact CD1-CZ 4.06Å; Y346-F354 HydrophobicContact CE1-CZ 4.35Å; Y346-L360 HydrophobicContact CE1-CD2 4.36Å; Y346-M362 HydrophobicContact CD1-SD 4.25Å; Y346-M362 HydrophobicContact CE1-SD 3.89Å; Y346-M362 HydrophobicContact CE2-SD 4.42Å; Y346-I367 HydrophobicContact CD2-CD1 4.45Å; Y346-I367 HydrophobicContact CD2-CG2 3.93Å; Y346-I367 HydrophobicContact CE2-CD1 4.41Å; Y346-I367 HydrophobicContact CE2-CG2 3.95Å; Y346-I370 HydrophobicContact CE2-CB 4.15Å; Y346-I370 HydrophobicContact CE2-CG1 3.86Å; Y346-I370 HydrophobicContact CE2-CG2 4.13Å; Y346-P371 VanDerWaalsContact CD2-CD 3.49Å; Y346-P371 HydrophobicContact CD2-CG 4.39Å; Y346-P371 HydrophobicContact CG-CG 4.21Å; Y346-I374 HydrophobicContact CD1-CG1 4.04Å; Y346-F375 HydrophobicContact CE1-CE1 4.21Å; Y346-F375 HydrophobicContact CE1-CE2 4.38Å; Y346-F375 AromaticContact CE1-CZ 3.61Å; Y346-F375 HydrophobicContact CE1-CZ 3.61Å; Y346-M386 HydrophobicContact CE2-CE 3.74Å; Y346-M386 HydrophobicContact CE2-SD 4.26Å; Y346-M386 PolarHBondContact OH-SD 2.97Å
347	P	93.1	Very high	95.4	Very high	7 Å²	7	34 Å²	34	5%	0.045	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-54.5	142.1	173.2	-26.4	35.2	0	0	0	113.2	L322 L327 L338 F343 Q353 M362	L322-P347 HydrophobicContact CB-CB 4.28Å; L322-P347 HydrophobicContact CD1-CB 4.13Å; L322-P347 HydrophobicContact CD1-CG 3.91Å; L322-P347 HydrophobicContact CG-CB 4.45Å; L322-P347 HydrophobicContact CG-CG 4.39Å; L327-P347 HydrophobicContact CD1-CB 4.33Å; L327-P347 HydrophobicContact CD1-CG 4.46Å; L338-P347 HydrophobicContact CD1-CG 4.07Å; F343-P347 HydrophobicContact CE1-CG 4.38Å; P347-Q353 PolarHBondContact O-NE2 3.43Å; P347-M362 HydrophobicContact CG-CE 4.23Å
348	V	89.6	Confident	95.4	Very high	85 Å²	85	38.7 Å²	38.7	52%	0.515	22%	0.222	S	C	.	.	S	Bend	trans	-71.3	147.6	174.2	-63.9	0	0	0	0	110.6	E324 Q353	E324-V348 HydrophobicContact CB-CG2 3.91Å; E324-V348 HydrophobicContact CG-CG2 4.39Å; V348-Q353 PolarHBondContact O-OE1 3.08Å
349	G	87.4	Confident	95.4	Very high	22 Å²	22	40.1 Å²	40.1	23%	0.227	23%	0.232	C	C	.	.	S	Bend	trans	132.2	1.8	-176.7	0	0	0	0	0	115	S352	G349-S352 PolarHBondContact O-OG 3.5Å
350	G	92.8	Very high	95.4	Very high	32 Å²	32	40 Å²	40	33%	0.33	23%	0.231	S	C	.	.			trans	64.1	-165.7	173.8	0	0	0	0	0	113.8	S352 Q353	G350-S352 VanDerWaalsContact C-N 3.34Å; G350-S352 PolarHBondContact O-N 3.16Å; G350-Q353 WeakPolarHBondContact O-CG 3.34Å; G350-Q353 PolarHBondContact O-NE2 3.37Å; G350-Q353 VanDerWaalsContact O-NE2 3.13Å
351	P	94.9	Very high	95.5	Very high	40 Å²	40	36.7 Å²	36.7	26%	0.26	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-72.8	-22.9	-171.1	-21.2	34.2	0	0	0	115.2	Q353 F354 G373 I374 S376 R377	P351-Q353 PolarHBondContact O-N 2.81Å; P351-F354 PolarHBondContact O-N 3.04Å; P351-G373 WeakPolarHBondContact CB-O 3.47Å; P351-G373 WeakPolarHBondContact CG-O 3.49Å; P351-I374 VanDerWaalsContact CA-O 3.26Å; P351-I374 WeakPolarHBondContact CA-O 3.38Å; P351-S376 VanDerWaalsContact CB-OG 3.32Å; P351-S376 WeakPolarHBondContact CB-OG 3.4Å; P351-R377 HydrophobicContact CB-CB 4.27Å; P351-R377 HydrophobicContact CB-CG 4.14Å
352	S	93.4	Very high	95.4	Very high	52 Å²	52	36.1 Å²	36.1	36%	0.364	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-61.5	-25.4	-179.9	38.4	0	0	0	0	113.1	G349 G350 F354 S355	G349-S352 PolarHBondContact O-OG 3.5Å; G350-S352 VanDerWaalsContact C-N 3.34Å; G350-S352 PolarHBondContact O-N 3.16Å; S352-F354 PolarHBondContact O-N 3.1Å; S352-S355 WeakPolarHBondContact O-CB 3.48Å; S352-S355 PolarHBondContact O-N 3.33Å; S352-S355 PolarHBondContact O-OG 2.88Å
353	Q	94.6	Very high	95.5	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.023	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-66	-20.3	-177.1	83.3	-174.7	-42.8	0	0	114	L327 P347 V348 G350 P351	L327-Q353 HydrophobicContact CB-CB 3.89Å; L327-Q353 HydrophobicContact CD1-CG 4.43Å; P347-Q353 PolarHBondContact O-NE2 3.43Å; V348-Q353 PolarHBondContact O-OE1 3.08Å; G350-Q353 WeakPolarHBondContact O-CG 3.34Å; G350-Q353 PolarHBondContact O-NE2 3.37Å; G350-Q353 VanDerWaalsContact O-NE2 3.13Å; P351-Q353 PolarHBondContact O-N 2.81Å
354	F	95.6	Very high	95.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-107.2	11.7	-179.5	-59.6	-69.1	0	0	0	113.2	L327 L336 Y346 P351 S352 T356 I357 L360 I374 F375 A378	L327-F354 HydrophobicContact CD1-CE1 4.42Å; L336-F354 HydrophobicContact CD2-CE1 4.35Å; Y346-F354 HydrophobicContact CD1-CE2 4.18Å; Y346-F354 HydrophobicContact CD1-CZ 4.06Å; Y346-F354 HydrophobicContact CE1-CZ 4.35Å; P351-F354 PolarHBondContact O-N 3.04Å; S352-F354 PolarHBondContact O-N 3.1Å; F354-T356 VanDerWaalsContact C-N 3.3Å; F354-T356 PolarHBondContact O-N 3.38Å; F354-I357 HydrophobicContact CD1-CD1 3.59Å; F354-I357 HydrophobicContact CE1-CD1 4.18Å; F354-I357 PolarHBondContact O-N 2.74Å; F354-L360 HydrophobicContact CD1-CD2 4.02Å; F354-L360 HydrophobicContact CE1-CD1 4.27Å; F354-L360 HydrophobicContact CE1-CD2 3.64Å; F354-L360 HydrophobicContact CZ-CD2 4.24Å; F354-I374 HydrophobicContact CD2-CD1 4.43Å; F354-I374 HydrophobicContact CD2-CG1 4.03Å; F354-I374 HydrophobicContact CE2-CD1 3.99Å; F354-I374 HydrophobicContact CE2-CG1 3.62Å; F354-F375 HydrophobicContact CB-CD1 4.08Å; F354-F375 HydrophobicContact CB-CE1 4.44Å; F354-F375 HydrophobicContact CD1-CE1 4.19Å; F354-F375 AromaticContact CD2-CD1 3.89Å; F354-F375 HydrophobicContact CD2-CD1 3.89Å; F354-F375 AromaticContact CD2-CE1 3.83Å; F354-F375 HydrophobicContact CD2-CE1 3.83Å; F354-F375 HydrophobicContact CE1-CE1 4.48Å; F354-F375 HydrophobicContact CE2-CE1 4.11Å; F354-F375 AromaticContact CG-CD1 3.97Å; F354-F375 HydrophobicContact CG-CD1 3.97Å; F354-F375 AromaticContact CG-CE1 3.89Å; F354-F375 HydrophobicContact CG-CE1 3.89Å; F354-F375 HydrophobicContact CZ-CE1 4.45Å; F354-A378 HydrophobicContact CB-CB 3.87Å; F354-A378 WeakPolarHBondContact O-CA 3.19Å; F354-A378 VanDerWaalsContact O-CB 3.28Å; F354-A378 WeakPolarHBondContact O-CB 3.42Å
355	S	95	Very high	95.6	Very high	54 Å²	54	34.8 Å²	34.8	38%	0.378	21%	0.209	S	C	.	.	S	Bend	trans	-65.7	-28.2	-172.9	57.5	0	0	0	0	114.6	S352	S352-S355 WeakPolarHBondContact O-CB 3.48Å; S352-S355 PolarHBondContact O-N 3.33Å; S352-S355 PolarHBondContact O-OG 2.88Å
356	T	95.8	Very high	95.7	Very high	41 Å²	41	38 Å²	38	25%	0.252	21%	0.21	S	C	.	.	S	Bend	trans	-103.6	-12.5	-179.5	59.4	0	0	0	0	113.2	V331 L333 F354 Y358	V331-T356 WeakPolarHBondContact O-CG2 3.04Å; L333-T356 CarbonylContact O-C 3.49Å; L333-T356 WeakPolarHBondContact O-CB 3.27Å; L333-T356 PolarHBondContact O-OG1 3.26Å; F354-T356 VanDerWaalsContact C-N 3.3Å; F354-T356 PolarHBondContact O-N 3.38Å; T356-Y358 PolarHBondContact O-N 2.96Å
357	I	97.3	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.208	C	C	.	.			trans	-77.9	121.3	-170.7	-66.3	175.1	0	0	0	109.6	L333 L336 F354 S359 L360 L381	L333-I357 HydrophobicContact CD2-CD1 4.32Å; L336-I357 HydrophobicContact CB-CD1 4.03Å; L336-I357 HydrophobicContact CB-CG2 4.46Å; L336-I357 HydrophobicContact CD2-CD1 3.72Å; F354-I357 HydrophobicContact CD1-CD1 3.59Å; F354-I357 HydrophobicContact CE1-CD1 4.18Å; F354-I357 PolarHBondContact O-N 2.74Å; I357-S359 WeakPolarHBondContact CG2-O 3.48Å; I357-L360 HydrophobicContact CG2-CB 4.2Å; I357-L381 HydrophobicContact CG2-CD1 4.11Å; I357-L381 VanDerWaalsContact O-CA 3.26Å; I357-L381 WeakPolarHBondContact O-CA 3.46Å; I357-L381 PolarHBondContact O-N 2.96Å
358	Y	98.1	Very high	96	Very high	114 Å²	114	41.1 Å²	41.1	45%	0.447	23%	0.228	S	C	.	.	S	Bend	trans	-88.1	-39.5	174	176.4	-94.1	0	0	0	112.1	T334 T356 V380 S382 K383	T334-Y358 PolarHBondContact O-N 3.42Å; T356-Y358 PolarHBondContact O-N 2.96Å; Y358-V380 WeakPolarHBondContact CA-O 3.47Å; Y358-V380 WeakPolarHBondContact CD2-O 3.21Å; Y358-S382 VanDerWaalsContact CZ-CB 3.47Å; Y358-S382 PolarHBondContact O-N 3.04Å; Y358-S382 PolarHBondContact OH-OG 3.1Å; Y358-K383 HydrophobicContact CE1-CG 4.4Å; Y358-K383 PolarHBondContact O-N 2.77Å; Y358-K383 VanDerWaalsContact O-N 3.1Å
359	S	98.5	Very high	96.4	Very high	30 Å²	30	42.3 Å²	42.3	21%	0.21	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.3	-177.8	-179.3	0	0	0	0	111	T334 L336 I357	T334-S359 PolarHBondContact O-N 3.2Å; T334-S359 VanDerWaalsContact O-N 3.1Å; L336-S359 PolarHBondContact N-O 3.36Å; I357-S359 WeakPolarHBondContact CG2-O 3.48Å
360	L	98.6	Very high	96.9	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.6	176.3	177.8	57.8	0	0	0	110.3	L336 Y346 F354 I357 M362 F375 L381 K383 L384 N385	L336-L360 HydrophobicContact CB-CD1 4.1Å; L336-L360 HydrophobicContact CD2-CD1 3.84Å; L336-L360 HydrophobicContact CG-CD1 3.93Å; L336-L360 WeakPolarHBondContact O-CA 3.27Å; Y346-L360 HydrophobicContact CE1-CD2 4.36Å; F354-L360 HydrophobicContact CD1-CD2 4.02Å; F354-L360 HydrophobicContact CE1-CD1 4.27Å; F354-L360 HydrophobicContact CE1-CD2 3.64Å; F354-L360 HydrophobicContact CZ-CD2 4.24Å; I357-L360 HydrophobicContact CG2-CB 4.2Å; L360-M362 HydrophobicContact CD1-CG 3.79Å; L360-M362 HydrophobicContact CD1-SD 4.25Å; L360-M362 HydrophobicContact CD2-CG 4.44Å; L360-M362 HydrophobicContact CD2-SD 4.2Å; L360-M362 HydrophobicContact CG-CG 3.99Å; L360-M362 HydrophobicContact CG-SD 4.39Å; L360-F375 HydrophobicContact CD2-CE1 3.76Å; L360-F375 HydrophobicContact CD2-CZ 3.86Å; L360-L381 HydrophobicContact CB-CD1 3.99Å; L360-K383 PolarHBondContact N-O 3.4Å; L360-L384 HydrophobicContact CB-CD1 4.1Å; L360-L384 HydrophobicContact CD2-CD1 3.87Å; L360-L384 HydrophobicContact CG-CD1 3.95Å; L360-L384 WeakPolarHBondContact O-CA 3.3Å; L360-N385 PolarHBondContact O-N 2.88Å
361	N	98.7	Very high	97	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.193	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.8	173.5	-176.1	-0.9	0	0	0	110.6	L336 T337 L338 A339 E363 N385	L336-N361 PolarHBondContact O-N 3.45Å; T337-N361 HydrophobicContact CG2-CB 4.2Å; L338-N361 PolarHBondContact N-O 2.97Å; A339-N361 PolarHBondContact N-O 2.92Å; N361-E363 VanDerWaalsContact OD1-CB 3.3Å; N361-E363 WeakPolarHBondContact OD1-CB 3.13Å; N361-E363 PolarHBondContact OD1-N 3.04Å; N361-N385 HydrophobicContact CB-CB 4.37Å; N361-N385 PolarHBondContact OD1-ND2 3.02Å
362	M	98.2	Very high	97.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.			trans	-124.8	28.1	174.9	-52	-171.3	82.3	0	0	111.8	L338 F343 Y346 P347 L360 N365 I367 N385 M386 N389	L338-M362 HydrophobicContact CB-CE 4.35Å; L338-M362 HydrophobicContact CB-CG 4.32Å; L338-M362 HydrophobicContact CD1-CE 3.6Å; L338-M362 HydrophobicContact CD1-CG 4.5Å; F343-M362 HydrophobicContact CG-CE 4.49Å; Y346-M362 HydrophobicContact CD1-SD 4.25Å; Y346-M362 HydrophobicContact CE1-SD 3.89Å; Y346-M362 HydrophobicContact CE2-SD 4.42Å; P347-M362 HydrophobicContact CG-CE 4.23Å; L360-M362 HydrophobicContact CD1-CG 3.79Å; L360-M362 HydrophobicContact CD1-SD 4.25Å; L360-M362 HydrophobicContact CD2-CG 4.44Å; L360-M362 HydrophobicContact CD2-SD 4.2Å; L360-M362 HydrophobicContact CG-CG 3.99Å; L360-M362 HydrophobicContact CG-SD 4.39Å; M362-N365 PolarHBondContact O-ND2 2.98Å; M362-I367 HydrophobicContact CB-CD1 4.16Å; M362-I367 HydrophobicContact CE-CD1 3.62Å; M362-I367 HydrophobicContact SD-CD1 3.96Å; M362-N385 PolarHBondContact N-O 3.28Å; M362-M386 HydrophobicContact CB-SD 3.76Å; M362-M386 HydrophobicContact CG-SD 4.21Å; M362-M386 HydrophobicContact SD-SD 4.22Å; M362-N389 PolarHBondContact O-ND2 2.92Å
363	E	98.4	Very high	97.3	Very high	39 Å²	39	45.2 Å²	45.2	18%	0.182	22%	0.221	C	C	.	.			trans	-57.4	151.2	179.4	173.1	176.5	177.2	0	0	113.3	A339 R340 N361 N365 N385 K387 D388	A339-E363 CarbonylContact C-O 3.25Å; A339-E363 WeakPolarHBondContact CA-O 3.33Å; A339-E363 HydrophobicContact CB-CB 4.18Å; A339-E363 WeakPolarHBondContact CB-O 3.24Å; R340-E363 PolarHBondContact N-O 3.3Å; N361-E363 VanDerWaalsContact OD1-CB 3.3Å; N361-E363 WeakPolarHBondContact OD1-CB 3.13Å; N361-E363 PolarHBondContact OD1-N 3.04Å; E363-N365 PolarHBondContact O-ND2 2.73Å; E363-N385 PolarHBondContact OE2-ND2 3.31Å; E363-K387 CarbonylContact C-O 3.04Å; E363-K387 WeakPolarHBondContact CA-O 3.46Å; E363-K387 HydrophobicContact CB-CB 4.36Å; E363-K387 HydrophobicContact CG-CB 3.93Å; E363-K387 HydrophobicContact CG-CG 4.21Å; E363-K387 WeakPolarHBondContact CG-O 3.49Å; E363-K387 IonicContact OE1-NZ 2.89Å; E363-D388 HydrophobicContact CG-CB 4.39Å
364	H	98.6	Very high	97.4	Very high	84 Å²	84	45.6 Å²	45.6	39%	0.389	22%	0.223	S	C	.	.	S	Bend	trans	55.5	59	174.9	-169.7	-117.6	0	0	0	111.6	R340 N341 K387 D388	R340-H364 WeakPolarHBondContact CA-O 3.47Å; R340-H364 HydrophobicContact CG-CB 3.91Å; R340-H364 PolarHBondContact N-O 3.04Å; N341-H364 PolarHBondContact N-O 3.14Å; H364-K387 PolarHBondContact N-O 2.84Å; H364-D388 CarbonylContact C-O 3.52Å; H364-D388 WeakPolarHBondContact CA-O 3.34Å; H364-D388 HydrophobicContact CB-CB 4.36Å; H364-D388 IonicContact CD2-OD2 3.81Å; H364-D388 PolarHBondContact CD2-OD2 2.98Å; H364-D388 IonicContact CG-OD2 3.52Å; H364-D388 PolarHBondContact N-O 2.73Å
365	N	98.6	Very high	97.4	Very high	9 Å²	9	45.7 Å²	45.7	5%	0.048	22%	0.224	C	C	.	.	S	Bend	trans	-129.2	-168.7	174.2	-84.9	-74	0	0	0	109.3	L338 N341 C342 F343 M362 E363 I367 D388 N389	L338-N365 PolarHBondContact O-ND2 3.08Å; N341-N365 WeakPolarHBondContact CA-OD1 3.36Å; N341-N365 VanDerWaalsContact CB-OD1 3.31Å; N341-N365 WeakPolarHBondContact CB-OD1 3.36Å; N341-N365 PolarHBondContact N-OD1 2.93Å; N341-N365 PolarHBondContact O-OD1 3.11Å; N341-N365 VanDerWaalsContact O-OD1 3.09Å; C342-N365 PolarHBondContact N-OD1 2.89Å; F343-N365 HydrophobicContact CB-CB 4.28Å; F343-N365 WeakPolarHBondContact CB-OD1 3.03Å; F343-N365 WeakPolarHBondContact CD2-OD1 3.27Å; F343-N365 PolarHBondContact N-OD1 3.15Å; M362-N365 PolarHBondContact O-ND2 2.98Å; E363-N365 PolarHBondContact O-ND2 2.73Å; N365-I367 HydrophobicContact CB-CD1 4.33Å; N365-I367 HydrophobicContact CB-CG1 4.19Å; N365-D388 PolarHBondContact N-O 2.98Å; N365-D388 VanDerWaalsContact N-O 3.16Å; N365-N389 WeakPolarHBondContact CA-OD1 3.26Å; N365-N389 WeakPolarHBondContact CB-OD1 3.31Å; N365-N389 PolarHBondContact O-OD1 2.94Å
366	R	98.2	Very high	97.5	Very high	133 Å²	133	45.9 Å²	45.9	50%	0.502	23%	0.225	S	C	.	.			trans	-117.6	29.4	179.4	-57	-179.6	-171.8	167.5	3.4	111.3	F343 Q344 N368	F343-R366 CarbonylContact O-C 2.99Å; F343-R366 VanDerWaalsContact O-CA 3.28Å; F343-R366 WeakPolarHBondContact O-CA 3.26Å; F343-R366 PolarHBondContact O-N 3.45Å; Q344-R366 WeakPolarHBondContact CA-O 3.37Å; Q344-R366 HydrophobicContact CG-CB 4.29Å; R366-N368 PolarHBondContact O-N 2.98Å
367	I	98.2	Very high	97.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.242	C	C	.	.			trans	-74.7	124.2	-176.4	-60	170.8	0	0	0	108.8	F343 Y346 M362 N365 K369 M386 N389 Q390 L391	F343-I367 HydrophobicContact CB-CD1 4.14Å; F343-I367 HydrophobicContact CB-CG1 4.03Å; F343-I367 PolarHBondContact O-N 3Å; Y346-I367 HydrophobicContact CD2-CD1 4.45Å; Y346-I367 HydrophobicContact CD2-CG2 3.93Å; Y346-I367 HydrophobicContact CE2-CD1 4.41Å; Y346-I367 HydrophobicContact CE2-CG2 3.95Å; M362-I367 HydrophobicContact CB-CD1 4.16Å; M362-I367 HydrophobicContact CE-CD1 3.62Å; M362-I367 HydrophobicContact SD-CD1 3.96Å; N365-I367 HydrophobicContact CB-CD1 4.33Å; N365-I367 HydrophobicContact CB-CG1 4.19Å; I367-K369 WeakPolarHBondContact CG2-O 3.37Å; I367-M386 HydrophobicContact CB-CE 4.13Å; I367-M386 HydrophobicContact CD1-CE 3.89Å; I367-M386 HydrophobicContact CG2-CE 3.95Å; I367-N389 WeakPolarHBondContact CB-OD1 3.37Å; I367-N389 PolarHBondContact N-OD1 3Å; I367-Q390 CarbonylContact O-C 3.18Å; I367-Q390 VanDerWaalsContact O-C 3.28Å; I367-Q390 WeakPolarHBondContact O-CA 3.39Å; I367-Q390 PolarHBondContact O-N 3.09Å; I367-L391 HydrophobicContact CG2-CD2 4.08Å; I367-L391 PolarHBondContact O-N 3.04Å
368	N	96.7	Very high	97.4	Very high	86 Å²	86	52 Å²	52	46%	0.46	25%	0.245	S	C	.	.			trans	-99.4	-14.4	-176.9	66.2	15.8	0	0	0	114.8	R366 Q390 L391 T392	R366-N368 PolarHBondContact O-N 2.98Å; N368-Q390 VanDerWaalsContact CA-O 3.3Å; N368-Q390 WeakPolarHBondContact CA-O 3.29Å; N368-Q390 HydrophobicContact CB-CB 4.34Å; N368-L391 WeakPolarHBondContact O-CA 3.3Å; N368-T392 PolarHBondContact O-N 3.16Å; N368-T392 VanDerWaalsContact O-N 3.16Å; N368-T392 PolarHBondContact O-OG1 3.24Å
369	K	96.8	Very high	97.2	Very high	110 Å²	110	54.6 Å²	54.6	48%	0.478	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-156.1	141.7	-178.6	-174.3	173.5	-179.6	-180	0	111.6	I367	I367-K369 WeakPolarHBondContact CG2-O 3.37Å
370	I	97.2	Very high	97.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-87.6	121.9	164.9	-53.7	178	0	0	0	107.9	Y346 I374 F375 M386 L391 L394 P395 W401	Y346-I370 HydrophobicContact CE2-CB 4.15Å; Y346-I370 HydrophobicContact CE2-CG1 3.86Å; Y346-I370 HydrophobicContact CE2-CG2 4.13Å; I370-I374 HydrophobicContact CG2-CG2 3.73Å; I370-F375 HydrophobicContact CG2-CE2 3.94Å; I370-M386 HydrophobicContact CD1-CG 4.35Å; I370-M386 HydrophobicContact CG1-CE 4.39Å; I370-L391 HydrophobicContact CD1-CD1 4.26Å; I370-L391 HydrophobicContact CG1-CD1 4.35Å; I370-L391 HydrophobicContact CG1-CD2 4.02Å; I370-L394 HydrophobicContact CD1-CD2 4.25Å; I370-P395 HydrophobicContact CB-CG 4.23Å; I370-P395 HydrophobicContact CG2-CG 4.18Å; I370-W401 HydrophobicContact CD1-CH2 3.99Å; I370-W401 HydrophobicContact CG2-CH2 4.25Å; I370-W401 HydrophobicContact CG2-CZ2 4.18Å
371	P	96.8	Very high	97.1	Very high	50 Å²	50	56.6 Å²	56.6	33%	0.325	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-64.1	142.4	-179.5	-19.4	30.4	0	0	0	112.4	Y346 G373 I374	Y346-P371 VanDerWaalsContact CD2-CD 3.49Å; Y346-P371 HydrophobicContact CD2-CG 4.39Å; Y346-P371 HydrophobicContact CG-CG 4.21Å; P371-G373 PolarHBondContact O-N 2.98Å; P371-I374 HydrophobicContact CB-CB 4.21Å; P371-I374 WeakPolarHBondContact O-CB 3.5Å; P371-I374 VanDerWaalsContact O-CG2 3.24Å; P371-I374 WeakPolarHBondContact O-CG2 3.2Å; P371-I374 PolarHBondContact O-N 3.33Å
372	F	96.6	Very high	97.1	Very high	147 Å²	147	55.2 Å²	55.2	65%	0.645	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	133.6	175.2	-178.9	-85.8	0	0	0	110.7	I374 D397	F372-I374 PolarHBondContact O-N 3.31Å; F372-D397 HydrophobicContact CD2-CB 4.02Å; F372-D397 HydrophobicContact CE2-CB 3.67Å; F372-D397 HydrophobicContact CZ-CB 3.99Å
373	G	96.3	Very high	97.1	Very high	11 Å²	11	58 Å²	58	11%	0.113	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	1.2	176.5	0	0	0	0	0	114.4	P351 P371 F375 S376 D397	P351-G373 WeakPolarHBondContact CB-O 3.47Å; P351-G373 WeakPolarHBondContact CG-O 3.49Å; P371-G373 PolarHBondContact O-N 2.98Å; G373-F375 PolarHBondContact O-N 2.76Å; G373-F375 VanDerWaalsContact O-N 3.16Å; G373-S376 WeakPolarHBondContact O-CB 3.33Å; G373-S376 PolarHBondContact O-N 3.3Å; G373-S376 PolarHBondContact O-OG 3.13Å; G373-D397 WeakPolarHBondContact CA-OD2 3.17Å; G373-D397 PolarHBondContact N-OD2 2.8Å
374	I	96.5	Very high	97.1	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.062	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.1	-173.8	-164.4	59.1	0	0	0	112.8	Y346 P351 F354 I370 P371 F372	Y346-I374 HydrophobicContact CD1-CG1 4.04Å; P351-I374 VanDerWaalsContact CA-O 3.26Å; P351-I374 WeakPolarHBondContact CA-O 3.38Å; F354-I374 HydrophobicContact CD2-CD1 4.43Å; F354-I374 HydrophobicContact CD2-CG1 4.03Å; F354-I374 HydrophobicContact CE2-CD1 3.99Å; F354-I374 HydrophobicContact CE2-CG1 3.62Å; I370-I374 HydrophobicContact CG2-CG2 3.73Å; P371-I374 HydrophobicContact CB-CB 4.21Å; P371-I374 WeakPolarHBondContact O-CB 3.5Å; P371-I374 VanDerWaalsContact O-CG2 3.24Å; P371-I374 WeakPolarHBondContact O-CG2 3.2Å; P371-I374 PolarHBondContact O-N 3.33Å; F372-I374 PolarHBondContact O-N 3.31Å
375	F	96.6	Very high	97.1	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.013	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	10.6	176.9	-57.4	-55.4	0	0	0	113.5	Y346 F354 L360 I370 G373 R377 A378 L381 L384 W401	Y346-F375 HydrophobicContact CE1-CE1 4.21Å; Y346-F375 HydrophobicContact CE1-CE2 4.38Å; Y346-F375 AromaticContact CE1-CZ 3.61Å; Y346-F375 HydrophobicContact CE1-CZ 3.61Å; F354-F375 HydrophobicContact CB-CD1 4.08Å; F354-F375 HydrophobicContact CB-CE1 4.44Å; F354-F375 HydrophobicContact CD1-CE1 4.19Å; F354-F375 AromaticContact CD2-CD1 3.89Å; F354-F375 HydrophobicContact CD2-CD1 3.89Å; F354-F375 AromaticContact CD2-CE1 3.83Å; F354-F375 HydrophobicContact CD2-CE1 3.83Å; F354-F375 HydrophobicContact CE1-CE1 4.48Å; F354-F375 HydrophobicContact CE2-CE1 4.11Å; F354-F375 AromaticContact CG-CD1 3.97Å; F354-F375 HydrophobicContact CG-CD1 3.97Å; F354-F375 AromaticContact CG-CE1 3.89Å; F354-F375 HydrophobicContact CG-CE1 3.89Å; F354-F375 HydrophobicContact CZ-CE1 4.45Å; L360-F375 HydrophobicContact CD2-CE1 3.76Å; L360-F375 HydrophobicContact CD2-CZ 3.86Å; I370-F375 HydrophobicContact CG2-CE2 3.94Å; G373-F375 PolarHBondContact O-N 2.76Å; G373-F375 VanDerWaalsContact O-N 3.16Å; F375-R377 PolarHBondContact O-N 3.22Å; F375-A378 HydrophobicContact CB-CB 3.97Å; F375-A378 HydrophobicContact CD1-CB 4.22Å; F375-A378 WeakPolarHBondContact O-CB 3.47Å; F375-A378 PolarHBondContact O-N 3.14Å; F375-L381 HydrophobicContact CB-CD2 4.38Å; F375-L381 HydrophobicContact CD1-CD2 3.44Å; F375-L381 VanDerWaalsContact CD1-CD2 3.44Å; F375-L381 HydrophobicContact CD2-CD2 4.29Å; F375-L381 HydrophobicContact CE1-CD2 3.63Å; F375-L381 HydrophobicContact CE2-CD2 4.45Å; F375-L381 HydrophobicContact CG-CD2 3.79Å; F375-L381 HydrophobicContact CZ-CD2 4.12Å; F375-L384 HydrophobicContact CE2-CD2 3.72Å; F375-L384 HydrophobicContact CZ-CD1 4.22Å; F375-L384 HydrophobicContact CZ-CD2 4.03Å; F375-W401 HydrophobicContact CD2-CD2 4.09Å; F375-W401 AromaticContact CD2-CE2 3.5Å; F375-W401 VanDerWaalsContact CD2-CE2 3.5Å; F375-W401 AromaticContact CD2-CH2 3.82Å; F375-W401 HydrophobicContact CD2-CH2 3.82Å; F375-W401 AromaticContact CD2-CZ2 3.38Å; F375-W401 HydrophobicContact CD2-CZ2 3.38Å; F375-W401 HydrophobicContact CD2-CZ3 4.37Å; F375-W401 AromaticContact CD2-NE1 3.88Å; F375-W401 AromaticContact CE2-CH2 3.79Å; F375-W401 HydrophobicContact CE2-CH2 3.79Å; F375-W401 AromaticContact CE2-CZ2 3.78Å; F375-W401 HydrophobicContact CE2-CZ2 3.78Å; F375-W401 HydrophobicContact CE2-CZ3 4.39Å
376	S	95.9	Very high	97.1	Very high	58 Å²	58	53.1 Å²	53.1	41%	0.406	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.5	-178.7	59.3	0	0	0	0	114.8	P351 G373	P351-S376 VanDerWaalsContact CB-OG 3.32Å; P351-S376 WeakPolarHBondContact CB-OG 3.4Å; G373-S376 WeakPolarHBondContact O-CB 3.33Å; G373-S376 PolarHBondContact O-N 3.3Å; G373-S376 PolarHBondContact O-OG 3.13Å
377	R	96	Very high	97.1	Very high	162 Å²	162	50.2 Å²	50.2	61%	0.611	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-1.4	174.7	-65.5	-176	176.9	-100.9	0.1	113.7	P351 F375 K379	P351-R377 HydrophobicContact CB-CB 4.27Å; P351-R377 HydrophobicContact CB-CG 4.14Å; F375-R377 PolarHBondContact O-N 3.22Å; R377-K379 VanDerWaalsContact C-N 3.29Å; R377-K379 PolarHBondContact O-N 3.33Å
378	A	95.8	Very high	97.2	Very high	6 Å²	6	53.1 Å²	53.1	5%	0.05	26%	0.259	C	S	.	.			trans	-84.4	67.2	-175.7	0	0	0	0	0	111.2	F354 F375 V380 L381	F354-A378 HydrophobicContact CB-CB 3.87Å; F354-A378 WeakPolarHBondContact O-CA 3.19Å; F354-A378 VanDerWaalsContact O-CB 3.28Å; F354-A378 WeakPolarHBondContact O-CB 3.42Å; F375-A378 HydrophobicContact CB-CB 3.97Å; F375-A378 HydrophobicContact CD1-CB 4.22Å; F375-A378 WeakPolarHBondContact O-CB 3.47Å; F375-A378 PolarHBondContact O-N 3.14Å; A378-V380 PolarHBondContact O-N 3.26Å; A378-V380 VanDerWaalsContact O-N 3.15Å; A378-L381 HydrophobicContact CB-CB 3.82Å; A378-L381 HydrophobicContact CB-CD2 4.26Å; A378-L381 PolarHBondContact O-N 2.94Å
379	K	93.8	Very high	97.3	Very high	169 Å²	169	49.4 Å²	49.4	74%	0.735	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.9	-173.5	-65.9	-174.3	177.7	-176.7	0	114.5	R377 S403	R377-K379 VanDerWaalsContact C-N 3.29Å; R377-K379 PolarHBondContact O-N 3.33Å; K379-S403 WeakPolarHBondContact O-CB 3.48Å; K379-S403 PolarHBondContact O-OG 3.44Å
380	V	96.8	Very high	97.3	Very high	70 Å²	70	48.1 Å²	48.1	42%	0.424	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	1.2	-176.9	-61.9	0	0	0	0	112.9	Y358 A378 S382	Y358-V380 WeakPolarHBondContact CA-O 3.47Å; Y358-V380 WeakPolarHBondContact CD2-O 3.21Å; A378-V380 PolarHBondContact O-N 3.26Å; A378-V380 VanDerWaalsContact O-N 3.15Å; V380-S382 PolarHBondContact O-N 3.16Å; V380-S382 VanDerWaalsContact O-N 3.09Å
381	L	97.9	Very high	97.4	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	24%	0.235	C	C	.	.			trans	-68.2	110.9	-179.6	-177.9	66.7	0	0	0	109.7	I357 L360 F375 A378 S403 M404	I357-L381 HydrophobicContact CG2-CD1 4.11Å; I357-L381 VanDerWaalsContact O-CA 3.26Å; I357-L381 WeakPolarHBondContact O-CA 3.46Å; I357-L381 PolarHBondContact O-N 2.96Å; L360-L381 HydrophobicContact CB-CD1 3.99Å; F375-L381 HydrophobicContact CB-CD2 4.38Å; F375-L381 HydrophobicContact CD1-CD2 3.44Å; F375-L381 VanDerWaalsContact CD1-CD2 3.44Å; F375-L381 HydrophobicContact CD2-CD2 4.29Å; F375-L381 HydrophobicContact CE1-CD2 3.63Å; F375-L381 HydrophobicContact CE2-CD2 4.45Å; F375-L381 HydrophobicContact CG-CD2 3.79Å; F375-L381 HydrophobicContact CZ-CD2 4.12Å; A378-L381 HydrophobicContact CB-CB 3.82Å; A378-L381 HydrophobicContact CB-CD2 4.26Å; A378-L381 PolarHBondContact O-N 2.94Å; L381-S403 CarbonylContact O-C 3.42Å; L381-S403 VanDerWaalsContact O-C 3.3Å; L381-M404 HydrophobicContact CD2-CE 3.78Å; L381-M404 HydrophobicContact CG-CE 3.92Å; L381-M404 HydrophobicContact CG-SD 4.48Å; L381-M404 PolarHBondContact O-N 2.79Å
382	S	98.4	Very high	97.4	Very high	7 Å²	7	49 Å²	49	5%	0.049	24%	0.24	C	C	.	.			trans	-109.3	-30.6	-173.9	178	0	0	0	0	111.8	Y358 V380 S403 V405 E406	Y358-S382 VanDerWaalsContact CZ-CB 3.47Å; Y358-S382 PolarHBondContact O-N 3.04Å; Y358-S382 PolarHBondContact OH-OG 3.1Å; V380-S382 PolarHBondContact O-N 3.16Å; V380-S382 VanDerWaalsContact O-N 3.09Å; S382-S403 WeakPolarHBondContact CA-O 3.43Å; S382-V405 PolarHBondContact O-N 2.86Å; S382-V405 WeakPolarHBondContact OG-CB 3.25Å; S382-V405 WeakPolarHBondContact OG-CG2 3.21Å; S382-E406 PolarHBondContact O-N 3.08Å
383	K	98.8	Very high	97.4	Very high	59 Å²	59	43.9 Å²	43.9	26%	0.257	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.3	-177.6	-55.1	-167	169.1	-141.5	0	111.2	Y358 L360 E406	Y358-K383 HydrophobicContact CE1-CG 4.4Å; Y358-K383 PolarHBondContact O-N 2.77Å; Y358-K383 VanDerWaalsContact O-N 3.1Å; L360-K383 PolarHBondContact N-O 3.4Å; K383-E406 WeakPolarHBondContact CA-O 3.18Å; K383-E406 HydrophobicContact CB-CB 4.46Å; K383-E406 WeakPolarHBondContact CD-OE2 3.06Å; K383-E406 WeakPolarHBondContact CE-OE2 3.35Å; K383-E406 HydrophobicContact CG-CB 4.12Å; K383-E406 IonicContact NZ-OE2 2.79Å; K383-E406 PolarHBondContact NZ-OE2 3.19Å
384	L	98.8	Very high	97.5	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	114.2	173.4	176.9	59	0	0	0	110	L360 F375 M386 W401 M404 E406 L407 N408	L360-L384 HydrophobicContact CB-CD1 4.1Å; L360-L384 HydrophobicContact CD2-CD1 3.87Å; L360-L384 HydrophobicContact CG-CD1 3.95Å; L360-L384 WeakPolarHBondContact O-CA 3.3Å; F375-L384 HydrophobicContact CE2-CD2 3.72Å; F375-L384 HydrophobicContact CZ-CD1 4.22Å; F375-L384 HydrophobicContact CZ-CD2 4.03Å; L384-M386 HydrophobicContact CD1-CG 3.79Å; L384-M386 HydrophobicContact CD1-SD 4.03Å; L384-M386 HydrophobicContact CD2-CG 4.27Å; L384-M386 HydrophobicContact CG-CG 3.89Å; L384-W401 HydrophobicContact CD2-CE3 4.47Å; L384-W401 HydrophobicContact CD2-CH2 3.91Å; L384-W401 HydrophobicContact CD2-CZ3 3.59Å; L384-M404 HydrophobicContact CB-CE 3.71Å; L384-M404 HydrophobicContact CB-SD 3.76Å; L384-M404 HydrophobicContact CD2-CE 4.12Å; L384-E406 PolarHBondContact N-O 3.36Å; L384-L407 HydrophobicContact CB-CD1 4.04Å; L384-L407 HydrophobicContact CD2-CD1 3.87Å; L384-L407 HydrophobicContact CG-CD1 4.05Å; L384-N408 PolarHBondContact O-N 3.14Å
385	N	98.8	Very high	97.5	Very high	26 Å²	26	43.9 Å²	43.9	14%	0.139	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.2	171.5	-176.5	7.6	0	0	0	110.3	L360 N361 M362 E363 K387 N408	L360-N385 PolarHBondContact O-N 2.88Å; N361-N385 HydrophobicContact CB-CB 4.37Å; N361-N385 PolarHBondContact OD1-ND2 3.02Å; M362-N385 PolarHBondContact N-O 3.28Å; E363-N385 PolarHBondContact OE2-ND2 3.31Å; N385-K387 WeakPolarHBondContact OD1-CB 3.42Å; N385-K387 PolarHBondContact OD1-N 3.13Å; N385-N408 HydrophobicContact CB-CB 4.47Å
386	M	98.6	Very high	97.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.			trans	-121.7	22.7	175.2	-63.7	-68.7	-59.1	0	0	111.3	Y346 M362 I367 I370 L384 N389 L391 N408 L409 N412	Y346-M386 HydrophobicContact CE2-CE 3.74Å; Y346-M386 HydrophobicContact CE2-SD 4.26Å; Y346-M386 PolarHBondContact OH-SD 2.97Å; M362-M386 HydrophobicContact CB-SD 3.76Å; M362-M386 HydrophobicContact CG-SD 4.21Å; M362-M386 HydrophobicContact SD-SD 4.22Å; I367-M386 HydrophobicContact CB-CE 4.13Å; I367-M386 HydrophobicContact CD1-CE 3.89Å; I367-M386 HydrophobicContact CG2-CE 3.95Å; I370-M386 HydrophobicContact CD1-CG 4.35Å; I370-M386 HydrophobicContact CG1-CE 4.39Å; L384-M386 HydrophobicContact CD1-CG 3.79Å; L384-M386 HydrophobicContact CD1-SD 4.03Å; L384-M386 HydrophobicContact CD2-CG 4.27Å; L384-M386 HydrophobicContact CG-CG 3.89Å; M386-N389 PolarHBondContact O-ND2 2.96Å; M386-L391 HydrophobicContact CB-CD1 4.01Å; M386-L391 HydrophobicContact CE-CD1 4.24Å; M386-L391 HydrophobicContact CE-CD2 4.28Å; M386-N408 PolarHBondContact N-O 2.79Å; M386-L409 HydrophobicContact CB-CD2 3.88Å; M386-L409 HydrophobicContact CG-CD2 4.27Å; M386-N412 PolarHBondContact O-ND2 2.92Å
387	K	98.7	Very high	97.5	Very high	73 Å²	73	47.1 Å²	47.1	32%	0.317	23%	0.232	S	C	.	.			trans	-55	149.5	178	175	176.4	172.5	-165.8	0	111.4	E363 H364 N385 N389 A410	E363-K387 CarbonylContact C-O 3.04Å; E363-K387 WeakPolarHBondContact CA-O 3.46Å; E363-K387 HydrophobicContact CB-CB 4.36Å; E363-K387 HydrophobicContact CG-CB 3.93Å; E363-K387 HydrophobicContact CG-CG 4.21Å; E363-K387 WeakPolarHBondContact CG-O 3.49Å; E363-K387 IonicContact OE1-NZ 2.89Å; H364-K387 PolarHBondContact N-O 2.84Å; N385-K387 WeakPolarHBondContact OD1-CB 3.42Å; N385-K387 PolarHBondContact OD1-N 3.13Å; K387-N389 PolarHBondContact O-ND2 2.95Å; K387-N389 VanDerWaalsContact O-ND2 3.1Å; K387-A410 CarbonylContact C-O 3.45Å; K387-A410 WeakPolarHBondContact CA-O 3.41Å; K387-A410 HydrophobicContact CB-CB 4.47Å; K387-A410 HydrophobicContact CD-CB 4.31Å; K387-A410 HydrophobicContact CG-CB 4.05Å
388	D	98.6	Very high	97.5	Very high	60 Å²	60	39.5 Å²	39.5	32%	0.321	20%	0.203	S	C	.	.	S	Bend	trans	56.3	62.2	171.5	-163	2.5	0	0	0	111.7	E363 H364 N365 A410 T411	E363-D388 HydrophobicContact CG-CB 4.39Å; H364-D388 CarbonylContact C-O 3.52Å; H364-D388 WeakPolarHBondContact CA-O 3.34Å; H364-D388 HydrophobicContact CB-CB 4.36Å; H364-D388 IonicContact CD2-OD2 3.81Å; H364-D388 PolarHBondContact CD2-OD2 2.98Å; H364-D388 IonicContact CG-OD2 3.52Å; H364-D388 PolarHBondContact N-O 2.73Å; N365-D388 PolarHBondContact N-O 2.98Å; N365-D388 VanDerWaalsContact N-O 3.16Å; D388-A410 PolarHBondContact N-O 3.05Å; D388-T411 WeakPolarHBondContact CA-O 3.48Å; D388-T411 HydrophobicContact CB-CG2 4.33Å; D388-T411 PolarHBondContact N-O 3.07Å
389	N	98.8	Very high	97.4	Very high	9 Å²	9	41.1 Å²	41.1	5%	0.048	22%	0.221	C	C	.	.	S	Bend	trans	-134.7	-167.5	178.5	-91.5	-83.2	0	0	0	109.1	M362 N365 I367 M386 K387 L391 T411 N412	M362-N389 PolarHBondContact O-ND2 2.92Å; N365-N389 WeakPolarHBondContact CA-OD1 3.26Å; N365-N389 WeakPolarHBondContact CB-OD1 3.31Å; N365-N389 PolarHBondContact O-OD1 2.94Å; I367-N389 WeakPolarHBondContact CB-OD1 3.37Å; I367-N389 PolarHBondContact N-OD1 3Å; M386-N389 PolarHBondContact O-ND2 2.96Å; K387-N389 PolarHBondContact O-ND2 2.95Å; K387-N389 VanDerWaalsContact O-ND2 3.1Å; N389-L391 HydrophobicContact CB-CG 4.36Å; N389-T411 PolarHBondContact N-O 3.21Å; N389-N412 WeakPolarHBondContact CA-OD1 3.32Å; N389-N412 WeakPolarHBondContact CB-OD1 3.47Å; N389-N412 PolarHBondContact O-OD1 3.37Å
390	Q	98.4	Very high	97.5	Very high	82 Å²	82	35.7 Å²	35.7	38%	0.383	20%	0.202	S	C	.	.			trans	-114.6	26.7	-177.9	-60.4	179.1	11.2	0	0	111.6	I367 N368 T392 N412	I367-Q390 CarbonylContact O-C 3.18Å; I367-Q390 VanDerWaalsContact O-C 3.28Å; I367-Q390 WeakPolarHBondContact O-CA 3.39Å; I367-Q390 PolarHBondContact O-N 3.09Å; N368-Q390 VanDerWaalsContact CA-O 3.3Å; N368-Q390 WeakPolarHBondContact CA-O 3.29Å; N368-Q390 HydrophobicContact CB-CB 4.34Å; Q390-T392 PolarHBondContact O-N 2.97Å; Q390-N412 PolarHBondContact N-OD1 2.83Å
391	L	98.4	Very high	97.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.			trans	-61.8	120.1	-174.3	-63.3	177.8	0	0	0	110.6	I367 N368 I370 M386 N389 L409 N412 Q413 L414	I367-L391 HydrophobicContact CG2-CD2 4.08Å; I367-L391 PolarHBondContact O-N 3.04Å; N368-L391 WeakPolarHBondContact O-CA 3.3Å; I370-L391 HydrophobicContact CD1-CD1 4.26Å; I370-L391 HydrophobicContact CG1-CD1 4.35Å; I370-L391 HydrophobicContact CG1-CD2 4.02Å; M386-L391 HydrophobicContact CB-CD1 4.01Å; M386-L391 HydrophobicContact CE-CD1 4.24Å; M386-L391 HydrophobicContact CE-CD2 4.28Å; N389-L391 HydrophobicContact CB-CG 4.36Å; L391-L409 HydrophobicContact CD1-CD2 4.04Å; L391-N412 HydrophobicContact CB-CB 4.12Å; L391-N412 WeakPolarHBondContact CB-OD1 3.13Å; L391-N412 VanDerWaalsContact CG-OD1 3.29Å; L391-N412 WeakPolarHBondContact CG-OD1 3.43Å; L391-N412 PolarHBondContact N-OD1 3.28Å; L391-Q413 CarbonylContact O-C 3.1Å; L391-Q413 VanDerWaalsContact O-CA 3.26Å; L391-Q413 WeakPolarHBondContact O-CA 3.26Å; L391-Q413 WeakPolarHBondContact O-CB 3.44Å; L391-Q413 PolarHBondContact O-N 2.83Å; L391-L414 HydrophobicContact CB-CD2 3.98Å; L391-L414 HydrophobicContact CB-CG 4.44Å; L391-L414 PolarHBondContact O-N 2.88Å
392	T	97.1	Very high	97.4	Very high	70 Å²	70	35.7 Å²	35.7	43%	0.429	20%	0.202	S	C	.	.			trans	-98.8	-23.1	177.8	55.4	0	0	0	0	112.6	N368 Q390 Q413	N368-T392 PolarHBondContact O-N 3.16Å; N368-T392 VanDerWaalsContact O-N 3.16Å; N368-T392 PolarHBondContact O-OG1 3.24Å; Q390-T392 PolarHBondContact O-N 2.97Å; T392-Q413 HydrophobicContact CG2-CB 4.37Å
393	S	96.4	Very high	97.3	Very high	39 Å²	39	37.4 Å²	37.4	27%	0.273	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-155.2	157.6	-179.4	57.1	0	0	0	0	111.4
394	L	97.6	Very high	97.3	Very high	16 Å²	16	34.6 Å²	34.6	8%	0.084	20%	0.201	C	C	.	.			trans	-105.5	152.7	174.6	-61.7	169.3	0	0	0	110	I370 F398 L409 L414 I417 P418	I370-L394 HydrophobicContact CD1-CD2 4.25Å; L394-F398 HydrophobicContact CB-CE2 4.26Å; L394-F398 HydrophobicContact CB-CZ 3.88Å; L394-F398 HydrophobicContact CD1-CE2 4.32Å; L394-F398 HydrophobicContact CD1-CZ 3.94Å; L394-F398 HydrophobicContact CD2-CZ 4.49Å; L394-F398 HydrophobicContact CG-CZ 4.3Å; L394-L409 HydrophobicContact CD1-CD1 3.81Å; L394-L409 HydrophobicContact CD2-CD1 3.8Å; L394-L409 HydrophobicContact CD2-CD2 4.29Å; L394-L409 HydrophobicContact CG-CD1 4.45Å; L394-L414 HydrophobicContact CD1-CD1 4.12Å; L394-L414 HydrophobicContact CD1-CD2 4.5Å; L394-L414 HydrophobicContact CD2-CD1 4.31Å; L394-L414 HydrophobicContact CD2-CD2 4.16Å; L394-L414 HydrophobicContact CG-CD1 4.28Å; L394-L414 HydrophobicContact CG-CD2 3.9Å; L394-I417 HydrophobicContact CD1-CD1 3.5Å; L394-I417 VanDerWaalsContact CD1-CD1 3.5Å; L394-I417 HydrophobicContact CD1-CG2 4.49Å; L394-P418 HydrophobicContact CB-CG 4.4Å
395	P	96.8	Very high	97.3	Very high	7 Å²	7	36.4 Å²	36.4	5%	0.045	21%	0.212	C	C	.	.			trans	-76.2	168.9	177.7	37	-37.8	0	0	0	111	I370 D397 W401	I370-P395 HydrophobicContact CB-CG 4.23Å; I370-P395 HydrophobicContact CG2-CG 4.18Å; P395-D397 WeakPolarHBondContact CB-OD1 3.48Å; P395-D397 VanDerWaalsContact CG-OD1 3.27Å; P395-D397 WeakPolarHBondContact CG-OD1 3.42Å; P395-W401 HydrophobicContact CG-CZ2 4.01Å
396	L	96.1	Very high	97.3	Very high	117 Å²	117	38 Å²	38	61%	0.613	22%	0.219	S	C	*	.	S	Bend	trans	-107.8	38.5	-173.5	-57	178.8	0	0	0	111.9	P418 D420	L396-P418 HydrophobicContact CD2-CB 3.32Å; L396-P418 HydrophobicContact CD2-CG 3.99Å; L396-D420 VanDerWaalsContact C-OD2 3.28Å
397	D	96.3	Very high	97.3	Very high	11 Å²	11	38.2 Å²	38.2	6%	0.059	22%	0.22	C	C	.	.			trans	-133.8	26.7	-176	67.8	-47.6	0	0	0	113.4	F372 G373 P395 G399 T400 D420	F372-D397 HydrophobicContact CD2-CB 4.02Å; F372-D397 HydrophobicContact CE2-CB 3.67Å; F372-D397 HydrophobicContact CZ-CB 3.99Å; G373-D397 WeakPolarHBondContact CA-OD2 3.17Å; G373-D397 PolarHBondContact N-OD2 2.8Å; P395-D397 WeakPolarHBondContact CB-OD1 3.48Å; P395-D397 VanDerWaalsContact CG-OD1 3.27Å; P395-D397 WeakPolarHBondContact CG-OD1 3.42Å; D397-G399 PolarHBondContact O-N 2.8Å; D397-T400 PolarHBondContact O-N 2.96Å; D397-T400 PolarHBondContact O-OG1 2.94Å; D397-D420 WeakPolarHBondContact CA-OD2 3.42Å; D397-D420 PolarHBondContact N-OD2 3.41Å
398	F	96.7	Very high	97.3	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.009	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-58.5	-22.7	172.8	-72.5	-41.1	0	0	0	112.8	L394 T400 W401 P418 D420 V421 G423 L424	L394-F398 HydrophobicContact CB-CE2 4.26Å; L394-F398 HydrophobicContact CB-CZ 3.88Å; L394-F398 HydrophobicContact CD1-CE2 4.32Å; L394-F398 HydrophobicContact CD1-CZ 3.94Å; L394-F398 HydrophobicContact CD2-CZ 4.49Å; L394-F398 HydrophobicContact CG-CZ 4.3Å; F398-T400 PolarHBondContact O-N 2.92Å; F398-W401 AromaticContact CD1-CD2 3.61Å; F398-W401 HydrophobicContact CD1-CD2 3.61Å; F398-W401 AromaticContact CD1-CE2 3.76Å; F398-W401 AromaticContact CD1-CE3 3.63Å; F398-W401 HydrophobicContact CD1-CE3 3.63Å; F398-W401 HydrophobicContact CD1-CG 4.17Å; F398-W401 HydrophobicContact CD1-CH2 4.08Å; F398-W401 AromaticContact CD1-CZ2 3.98Å; F398-W401 HydrophobicContact CD1-CZ2 3.98Å; F398-W401 AromaticContact CD1-CZ3 3.9Å; F398-W401 HydrophobicContact CD1-CZ3 3.9Å; F398-W401 HydrophobicContact CE1-CD2 4.06Å; F398-W401 AromaticContact CE1-CE3 3.71Å; F398-W401 HydrophobicContact CE1-CE3 3.71Å; F398-W401 AromaticContact CE1-CH2 3.53Å; F398-W401 HydrophobicContact CE1-CH2 3.53Å; F398-W401 AromaticContact CE1-CZ2 3.81Å; F398-W401 HydrophobicContact CE1-CZ2 3.81Å; F398-W401 AromaticContact CE1-CZ3 3.47Å; F398-W401 HydrophobicContact CE1-CZ3 3.47Å; F398-W401 VanDerWaalsContact CE1-CZ3 3.47Å; F398-W401 WeakPolarHBondContact O-CB 3.28Å; F398-W401 PolarHBondContact O-N 2.82Å; F398-P418 HydrophobicContact CD2-CG 4.02Å; F398-P418 HydrophobicContact CE2-CG 3.61Å; F398-D420 WeakPolarHBondContact CA-OD2 3.3Å; F398-D420 VanDerWaalsContact CB-O 3.25Å; F398-D420 WeakPolarHBondContact CB-O 3.45Å; F398-D420 WeakPolarHBondContact CB-OD2 3.44Å; F398-D420 PolarHBondContact N-OD2 3.29Å; F398-V421 HydrophobicContact CD2-CB 4.29Å; F398-G423 CarbonylContact O-C 3.6Å; F398-L424 HydrophobicContact CB-CD2 4.27Å; F398-L424 HydrophobicContact CB-CG 4.2Å; F398-L424 HydrophobicContact CD1-CD1 4.41Å; F398-L424 HydrophobicContact CD1-CD2 4.08Å; F398-L424 HydrophobicContact CD1-CG 4.4Å; F398-L424 HydrophobicContact CG-CD1 4.46Å; F398-L424 HydrophobicContact CG-CD2 4.38Å; F398-L424 HydrophobicContact CG-CG 4.31Å
399	G	93.8	Very high	97.3	Very high	41 Å²	41	32.9 Å²	32.9	42%	0.423	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-54.8	-16.8	167.2	0	0	0	0	0	114.7	D397 T402 D420	D397-G399 PolarHBondContact O-N 2.8Å; G399-T402 WeakPolarHBondContact O-CG2 3.37Å; G399-D420 PolarHBondContact N-OD2 3Å
400	T	95.4	Very high	97.3	Very high	55 Å²	55	32.6 Å²	32.6	34%	0.337	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-92.7	-12.6	173.7	67.4	0	0	0	0	113.9	D397 F398 T402	D397-T400 PolarHBondContact O-N 2.96Å; D397-T400 PolarHBondContact O-OG1 2.94Å; F398-T400 PolarHBondContact O-N 2.92Å; T400-T402 PolarHBondContact O-N 2.99Å
401	W	97.1	Very high	97.3	Very high	7 Å²	7	30.9 Å²	30.9	3%	0.027	19%	0.189	C	C	.	.			trans	-92.9	38.3	-173.3	-59.7	27.5	0	0	0	111.3	I370 F375 L384 P395 F398 S403 M404 L407 L424	I370-W401 HydrophobicContact CD1-CH2 3.99Å; I370-W401 HydrophobicContact CG2-CH2 4.25Å; I370-W401 HydrophobicContact CG2-CZ2 4.18Å; F375-W401 HydrophobicContact CD2-CD2 4.09Å; F375-W401 AromaticContact CD2-CE2 3.5Å; F375-W401 VanDerWaalsContact CD2-CE2 3.5Å; F375-W401 AromaticContact CD2-CH2 3.82Å; F375-W401 HydrophobicContact CD2-CH2 3.82Å; F375-W401 AromaticContact CD2-CZ2 3.38Å; F375-W401 HydrophobicContact CD2-CZ2 3.38Å; F375-W401 HydrophobicContact CD2-CZ3 4.37Å; F375-W401 AromaticContact CD2-NE1 3.88Å; F375-W401 AromaticContact CE2-CH2 3.79Å; F375-W401 HydrophobicContact CE2-CH2 3.79Å; F375-W401 AromaticContact CE2-CZ2 3.78Å; F375-W401 HydrophobicContact CE2-CZ2 3.78Å; F375-W401 HydrophobicContact CE2-CZ3 4.39Å; L384-W401 HydrophobicContact CD2-CE3 4.47Å; L384-W401 HydrophobicContact CD2-CH2 3.91Å; L384-W401 HydrophobicContact CD2-CZ3 3.59Å; P395-W401 HydrophobicContact CG-CZ2 4.01Å; F398-W401 AromaticContact CD1-CD2 3.61Å; F398-W401 HydrophobicContact CD1-CD2 3.61Å; F398-W401 AromaticContact CD1-CE2 3.76Å; F398-W401 AromaticContact CD1-CE3 3.63Å; F398-W401 HydrophobicContact CD1-CE3 3.63Å; F398-W401 HydrophobicContact CD1-CG 4.17Å; F398-W401 HydrophobicContact CD1-CH2 4.08Å; F398-W401 AromaticContact CD1-CZ2 3.98Å; F398-W401 HydrophobicContact CD1-CZ2 3.98Å; F398-W401 AromaticContact CD1-CZ3 3.9Å; F398-W401 HydrophobicContact CD1-CZ3 3.9Å; F398-W401 HydrophobicContact CE1-CD2 4.06Å; F398-W401 AromaticContact CE1-CE3 3.71Å; F398-W401 HydrophobicContact CE1-CE3 3.71Å; F398-W401 AromaticContact CE1-CH2 3.53Å; F398-W401 HydrophobicContact CE1-CH2 3.53Å; F398-W401 AromaticContact CE1-CZ2 3.81Å; F398-W401 HydrophobicContact CE1-CZ2 3.81Å; F398-W401 AromaticContact CE1-CZ3 3.47Å; F398-W401 HydrophobicContact CE1-CZ3 3.47Å; F398-W401 VanDerWaalsContact CE1-CZ3 3.47Å; F398-W401 WeakPolarHBondContact O-CB 3.28Å; F398-W401 PolarHBondContact O-N 2.82Å; W401-S403 PolarHBondContact O-N 3.35Å; W401-S403 VanDerWaalsContact O-N 3.15Å; W401-M404 HydrophobicContact CB-CB 4.43Å; W401-M404 HydrophobicContact CD2-CE 4.24Å; W401-M404 HydrophobicContact CE3-CE 3.54Å; W401-M404 HydrophobicContact CZ3-CE 4.09Å; W401-M404 VanDerWaalsContact O-CB 3.28Å; W401-M404 WeakPolarHBondContact O-CB 3.38Å; W401-M404 PolarHBondContact O-N 2.76Å; W401-M404 VanDerWaalsContact O-N 3.1Å; W401-L407 HydrophobicContact CZ3-CD1 4.21Å; W401-L424 HydrophobicContact CB-CD2 3.51Å; W401-L424 HydrophobicContact CD2-CD2 4.43Å; W401-L424 HydrophobicContact CE3-CD2 4.09Å; W401-L424 HydrophobicContact CG-CD2 4.29Å
402	T	95.3	Very high	97.3	Very high	67 Å²	67	31.3 Å²	31.3	41%	0.411	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.1	-167.9	55.4	0	0	0	0	114.9	G399 T400 V425 S426	G399-T402 WeakPolarHBondContact O-CG2 3.37Å; T400-T402 PolarHBondContact O-N 2.99Å; T402-V425 HydrophobicContact CG2-CG2 4.48Å; T402-S426 WeakPolarHBondContact O-CB 3.46Å; T402-S426 PolarHBondContact O-OG 3.01Å
403	S	97.3	Very high	97.4	Very high	42 Å²	42	32.4 Å²	32.4	29%	0.294	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-3.6	178.8	-58.6	0	0	0	0	113.7	K379 L381 S382 W401 V405	K379-S403 WeakPolarHBondContact O-CB 3.48Å; K379-S403 PolarHBondContact O-OG 3.44Å; L381-S403 CarbonylContact O-C 3.42Å; L381-S403 VanDerWaalsContact O-C 3.3Å; S382-S403 WeakPolarHBondContact CA-O 3.43Å; W401-S403 PolarHBondContact O-N 3.35Å; W401-S403 VanDerWaalsContact O-N 3.15Å; S403-V405 PolarHBondContact O-N 3.19Å
404	M	98.3	Very high	97.5	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.178	C	C	.	.			trans	-66.7	126.3	-177.8	-163.9	70.5	71.8	0	0	110.5	L381 L384 W401 L407 L424 S426 L427	L381-M404 HydrophobicContact CD2-CE 3.78Å; L381-M404 HydrophobicContact CG-CE 3.92Å; L381-M404 HydrophobicContact CG-SD 4.48Å; L381-M404 PolarHBondContact O-N 2.79Å; L384-M404 HydrophobicContact CB-CE 3.71Å; L384-M404 HydrophobicContact CB-SD 3.76Å; L384-M404 HydrophobicContact CD2-CE 4.12Å; W401-M404 HydrophobicContact CB-CB 4.43Å; W401-M404 HydrophobicContact CD2-CE 4.24Å; W401-M404 HydrophobicContact CE3-CE 3.54Å; W401-M404 HydrophobicContact CZ3-CE 4.09Å; W401-M404 VanDerWaalsContact O-CB 3.28Å; W401-M404 WeakPolarHBondContact O-CB 3.38Å; W401-M404 PolarHBondContact O-N 2.76Å; W401-M404 VanDerWaalsContact O-N 3.1Å; M404-L407 HydrophobicContact CG-CB 4.34Å; M404-L424 HydrophobicContact CB-CD2 4.13Å; M404-S426 CarbonylContact O-C 3.42Å; M404-S426 WeakPolarHBondContact O-CB 3.32Å; M404-L427 HydrophobicContact CB-CD1 4.29Å; M404-L427 HydrophobicContact CG-CD1 3.79Å; M404-L427 WeakPolarHBondContact O-CA 3.31Å; M404-L427 PolarHBondContact O-N 3.16Å; M404-L427 VanDerWaalsContact O-N 3.15Å
405	V	98.7	Very high	97.5	Very high	40 Å²	40	33.5 Å²	33.5	24%	0.242	20%	0.197	C	C	.	.			trans	-110.1	-38.7	177.9	176.9	0	0	0	0	110.7	S382 S403 E428 V429	S382-V405 PolarHBondContact O-N 2.86Å; S382-V405 WeakPolarHBondContact OG-CB 3.25Å; S382-V405 WeakPolarHBondContact OG-CG2 3.21Å; S403-V405 PolarHBondContact O-N 3.19Å; V405-E428 HydrophobicContact CG1-CB 3.92Å; V405-E428 HydrophobicContact CG1-CG 3.93Å; V405-E428 PolarHBondContact O-N 3.06Å; V405-V429 PolarHBondContact O-N 3.33Å
406	E	98.9	Very high	97.5	Very high	60 Å²	60	40 Å²	40	28%	0.28	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	116.8	-176.6	-172.8	-178.3	155.7	0	0	110.1	S382 K383 L384 V429	S382-E406 PolarHBondContact O-N 3.08Å; K383-E406 WeakPolarHBondContact CA-O 3.18Å; K383-E406 HydrophobicContact CB-CB 4.46Å; K383-E406 WeakPolarHBondContact CD-OE2 3.06Å; K383-E406 WeakPolarHBondContact CE-OE2 3.35Å; K383-E406 HydrophobicContact CG-CB 4.12Å; K383-E406 IonicContact NZ-OE2 2.79Å; K383-E406 PolarHBondContact NZ-OE2 3.19Å; L384-E406 PolarHBondContact N-O 3.36Å; E406-V429 HydrophobicContact CB-CB 4.47Å; E406-V429 HydrophobicContact CG-CB 4.12Å; E406-V429 HydrophobicContact CG-CG1 4.24Å
407	L	98.9	Very high	97.6	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	111.1	177.5	179.3	57.9	0	0	0	109.9	L384 W401 M404 L409 L424 L427 V429 L430 I431	L384-L407 HydrophobicContact CB-CD1 4.04Å; L384-L407 HydrophobicContact CD2-CD1 3.87Å; L384-L407 HydrophobicContact CG-CD1 4.05Å; W401-L407 HydrophobicContact CZ3-CD1 4.21Å; M404-L407 HydrophobicContact CG-CB 4.34Å; L407-L409 HydrophobicContact CD1-CD1 4.34Å; L407-L409 HydrophobicContact CD1-CD2 3.89Å; L407-L409 HydrophobicContact CD1-CG 3.94Å; L407-L409 HydrophobicContact CD2-CD1 4.05Å; L407-L409 HydrophobicContact CD2-CG 4.46Å; L407-L409 HydrophobicContact CG-CD1 4.1Å; L407-L409 HydrophobicContact CG-CD2 4.46Å; L407-L409 HydrophobicContact CG-CG 3.96Å; L407-L424 HydrophobicContact CD2-CD1 3.83Å; L407-L427 HydrophobicContact CB-CD1 3.77Å; L407-V429 PolarHBondContact N-O 2.86Å; L407-L430 HydrophobicContact CB-CD1 4.15Å; L407-L430 HydrophobicContact CD2-CD1 4.02Å; L407-L430 HydrophobicContact CG-CD1 4.1Å; L407-I431 PolarHBondContact O-N 3.3Å
408	N	98.9	Very high	97.7	Very high	19 Å²	19	35.5 Å²	35.5	10%	0.102	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115	176.4	-173.3	-11.3	0	0	0	110.7	L384 N385 M386 A410 I431	L384-N408 PolarHBondContact O-N 3.14Å; N385-N408 HydrophobicContact CB-CB 4.47Å; M386-N408 PolarHBondContact N-O 2.79Å; N408-A410 VanDerWaalsContact OD1-CB 3.31Å; N408-A410 WeakPolarHBondContact OD1-CB 3.35Å; N408-A410 PolarHBondContact OD1-N 3.22Å; N408-I431 HydrophobicContact CB-CB 4.27Å; N408-I431 HydrophobicContact CB-CD1 4.48Å
409	L	98.8	Very high	97.7	Very high	3 Å²	3	40 Å²	40	2%	0.016	22%	0.223	C	C	.	.			trans	-123.1	20	179.2	-58.9	174.2	0	0	0	111.3	M386 L391 L394 L407 N412 L414 I431 L432 N435	M386-L409 HydrophobicContact CB-CD2 3.88Å; M386-L409 HydrophobicContact CG-CD2 4.27Å; L391-L409 HydrophobicContact CD1-CD2 4.04Å; L394-L409 HydrophobicContact CD1-CD1 3.81Å; L394-L409 HydrophobicContact CD2-CD1 3.8Å; L394-L409 HydrophobicContact CD2-CD2 4.29Å; L394-L409 HydrophobicContact CG-CD1 4.45Å; L407-L409 HydrophobicContact CD1-CD1 4.34Å; L407-L409 HydrophobicContact CD1-CD2 3.89Å; L407-L409 HydrophobicContact CD1-CG 3.94Å; L407-L409 HydrophobicContact CD2-CD1 4.05Å; L407-L409 HydrophobicContact CD2-CG 4.46Å; L407-L409 HydrophobicContact CG-CD1 4.1Å; L407-L409 HydrophobicContact CG-CD2 4.46Å; L407-L409 HydrophobicContact CG-CG 3.96Å; L409-N412 PolarHBondContact O-ND2 3.08Å; L409-L414 HydrophobicContact CB-CD1 4.12Å; L409-L414 HydrophobicContact CD1-CD1 4.15Å; L409-I431 PolarHBondContact N-O 3.27Å; L409-L432 HydrophobicContact CB-CD2 4.02Å; L409-L432 HydrophobicContact CD1-CD2 3.89Å; L409-N435 PolarHBondContact O-ND2 2.86Å
410	A	98.8	Very high	97.8	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	22%	0.217	C	C	.	.			trans	-61.1	156.2	-176.7	0	0	0	0	0	112.8	K387 D388 N408 N412 I431 S433	K387-A410 CarbonylContact C-O 3.45Å; K387-A410 WeakPolarHBondContact CA-O 3.41Å; K387-A410 HydrophobicContact CB-CB 4.47Å; K387-A410 HydrophobicContact CD-CB 4.31Å; K387-A410 HydrophobicContact CG-CB 4.05Å; D388-A410 PolarHBondContact N-O 3.05Å; N408-A410 VanDerWaalsContact OD1-CB 3.31Å; N408-A410 WeakPolarHBondContact OD1-CB 3.35Å; N408-A410 PolarHBondContact OD1-N 3.22Å; A410-N412 PolarHBondContact O-ND2 3.21Å; A410-I431 HydrophobicContact CB-CG2 3.88Å; A410-S433 CarbonylContact C-O 3.58Å; A410-S433 WeakPolarHBondContact CA-O 3.38Å; A410-S433 WeakPolarHBondContact CB-OG 3.33Å
411	T	98.6	Very high	97.8	Very high	45 Å²	45	38 Å²	38	28%	0.276	20%	0.201	S	C	.	.	S	Bend	trans	54.4	62.7	175.8	-45.8	0	0	0	0	111.3	D388 N389 S433 N434	D388-T411 WeakPolarHBondContact CA-O 3.48Å; D388-T411 HydrophobicContact CB-CG2 4.33Å; D388-T411 PolarHBondContact N-O 3.07Å; N389-T411 PolarHBondContact N-O 3.21Å; T411-S433 PolarHBondContact N-O 3.15Å; T411-N434 WeakPolarHBondContact CA-O 3.23Å; T411-N434 PolarHBondContact N-O 2.84Å
412	N	98.8	Very high	97.8	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.053	21%	0.212	C	C	.	.	S	Bend	trans	-136.6	-169.3	178.4	-86.9	-78.3	0	0	0	110	M386 N389 Q390 L391 L409 A410 L414 N434 N435	M386-N412 PolarHBondContact O-ND2 2.92Å; N389-N412 WeakPolarHBondContact CA-OD1 3.32Å; N389-N412 WeakPolarHBondContact CB-OD1 3.47Å; N389-N412 PolarHBondContact O-OD1 3.37Å; Q390-N412 PolarHBondContact N-OD1 2.83Å; L391-N412 HydrophobicContact CB-CB 4.12Å; L391-N412 WeakPolarHBondContact CB-OD1 3.13Å; L391-N412 VanDerWaalsContact CG-OD1 3.29Å; L391-N412 WeakPolarHBondContact CG-OD1 3.43Å; L391-N412 PolarHBondContact N-OD1 3.28Å; L409-N412 PolarHBondContact O-ND2 3.08Å; A410-N412 PolarHBondContact O-ND2 3.21Å; N412-L414 HydrophobicContact CB-CG 4.28Å; N412-N434 PolarHBondContact N-O 3.03Å; N412-N434 VanDerWaalsContact N-O 3.13Å; N412-N435 WeakPolarHBondContact CA-OD1 3.35Å; N412-N435 WeakPolarHBondContact CB-OD1 3.34Å; N412-N435 PolarHBondContact O-OD1 3.16Å
413	Q	98.4	Very high	97.9	Very high	92 Å²	92	36.9 Å²	36.9	43%	0.43	20%	0.199	S	C	.	.			trans	-114.9	29.5	-178.1	-60.2	173.7	42.5	0	0	111.5	L391 T392 T415 N435	L391-Q413 CarbonylContact O-C 3.1Å; L391-Q413 VanDerWaalsContact O-CA 3.26Å; L391-Q413 WeakPolarHBondContact O-CA 3.26Å; L391-Q413 WeakPolarHBondContact O-CB 3.44Å; L391-Q413 PolarHBondContact O-N 2.83Å; T392-Q413 HydrophobicContact CG2-CB 4.37Å; Q413-T415 PolarHBondContact O-N 3.38Å; Q413-N435 PolarHBondContact N-OD1 3.26Å
414	L	98.6	Very high	97.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.			trans	-71.2	127.1	-175.7	-62.4	174.1	0	0	0	110.5	L391 L394 L409 N412 I417 L432 N435 L436 L437	L391-L414 HydrophobicContact CB-CD2 3.98Å; L391-L414 HydrophobicContact CB-CG 4.44Å; L391-L414 PolarHBondContact O-N 2.88Å; L394-L414 HydrophobicContact CD1-CD1 4.12Å; L394-L414 HydrophobicContact CD1-CD2 4.5Å; L394-L414 HydrophobicContact CD2-CD1 4.31Å; L394-L414 HydrophobicContact CD2-CD2 4.16Å; L394-L414 HydrophobicContact CG-CD1 4.28Å; L394-L414 HydrophobicContact CG-CD2 3.9Å; L409-L414 HydrophobicContact CB-CD1 4.12Å; L409-L414 HydrophobicContact CD1-CD1 4.15Å; N412-L414 HydrophobicContact CB-CG 4.28Å; L414-I417 HydrophobicContact CD1-CD1 4.25Å; L414-L432 HydrophobicContact CD1-CD2 4.31Å; L414-N435 HydrophobicContact CB-CB 4.37Å; L414-N435 VanDerWaalsContact CB-OD1 3.26Å; L414-N435 WeakPolarHBondContact CB-OD1 3.04Å; L414-N435 WeakPolarHBondContact CG-OD1 3.05Å; L414-N435 PolarHBondContact N-OD1 3.1Å; L414-L436 CarbonylContact O-C 3.19Å; L414-L436 VanDerWaalsContact O-CA 3.27Å; L414-L436 WeakPolarHBondContact O-CA 3.42Å; L414-L436 WeakPolarHBondContact O-CB 3.19Å; L414-L436 PolarHBondContact O-N 3.13Å; L414-L437 HydrophobicContact CB-CD2 4.15Å; L414-L437 PolarHBondContact O-N 2.94Å
415	T	97.9	Very high	97.8	Very high	79 Å²	79	38.5 Å²	38.5	49%	0.485	21%	0.207	S	C	.	.			trans	-100.8	-20.1	177.5	54.3	0	0	0	0	113.2	Q413 L436	Q413-T415 PolarHBondContact O-N 3.38Å; T415-L436 HydrophobicContact CG2-CB 4.17Å
416	K	97.4	Very high	97.8	Very high	143 Å²	143	37.9 Å²	37.9	62%	0.622	21%	0.205	S	C	*	.			trans	-153.5	152	-179.7	62.2	-179.6	-178.7	177.3	0	111.2
417	I	98.1	Very high	97.7	Very high	14 Å²	14	35 Å²	35	7%	0.072	19%	0.191	C	C	.	.			trans	-107.1	133.4	166.3	-52.1	-58.1	0	0	0	107.7	L394 L414 V421 L432 L437 P441	L394-I417 HydrophobicContact CD1-CD1 3.5Å; L394-I417 VanDerWaalsContact CD1-CD1 3.5Å; L394-I417 HydrophobicContact CD1-CG2 4.49Å; L414-I417 HydrophobicContact CD1-CD1 4.25Å; I417-V421 HydrophobicContact CG2-CB 3.91Å; I417-V421 HydrophobicContact CG2-CG1 4.29Å; I417-V421 HydrophobicContact CG2-CG2 4Å; I417-L432 HydrophobicContact CD1-CD1 4.27Å; I417-L432 HydrophobicContact CD1-CD2 3.67Å; I417-L432 HydrophobicContact CG1-CD1 4.2Å; I417-L432 HydrophobicContact CG1-CD2 4.48Å; I417-L437 HydrophobicContact CD1-CD1 4.26Å; I417-L437 HydrophobicContact CD1-CD2 3.97Å; I417-L437 HydrophobicContact CG1-CD1 4.07Å; I417-L437 HydrophobicContact CG1-CD2 3.92Å; I417-P441 HydrophobicContact CB-CG 4.01Å; I417-P441 HydrophobicContact CG2-CG 4.06Å
418	P	97	Very high	97.7	Very high	20 Å²	20	37.7 Å²	37.7	13%	0.13	20%	0.204	C	C	.	.			trans	-72.6	153.6	179.5	30.4	-35.4	0	0	0	112.4	L394 L396 F398 D420 V421	L394-P418 HydrophobicContact CB-CG 4.4Å; L396-P418 HydrophobicContact CD2-CB 3.32Å; L396-P418 HydrophobicContact CD2-CG 3.99Å; F398-P418 HydrophobicContact CD2-CG 4.02Å; F398-P418 HydrophobicContact CE2-CG 3.61Å; P418-D420 PolarHBondContact O-N 2.96Å; P418-D420 VanDerWaalsContact O-N 3.16Å; P418-V421 WeakPolarHBondContact O-CB 3.08Å; P418-V421 WeakPolarHBondContact O-CG1 3.13Å; P418-V421 PolarHBondContact O-N 3.05Å
419	E	96.3	Very high	97.7	Very high	96 Å²	96	38.3 Å²	38.3	45%	0.449	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-59.5	-24.5	175.8	-71.4	-64	156.8	0	0	113.4	V421 S422 P441 H442 G443	E419-V421 PolarHBondContact O-N 2.99Å; E419-S422 PolarHBondContact O-N 3.29Å; E419-S422 PolarHBondContact O-OG 3.38Å; E419-P441 VanDerWaalsContact CD-CB 3.41Å; E419-P441 HydrophobicContact CG-CB 4.22Å; E419-P441 VanDerWaalsContact OE1-CA 3.26Å; E419-P441 WeakPolarHBondContact OE1-CA 3.45Å; E419-P441 WeakPolarHBondContact OE1-CB 3.16Å; E419-H442 IonicContact OE1-CD2 3.91Å; E419-H442 PolarHBondContact OE1-N 2.84Å; E419-H442 PolarHBondContact OE2-N 3.04Å; E419-G443 PolarHBondContact OE2-N 2.79Å
420	D	95.6	Very high	97.8	Very high	52 Å²	52	38.3 Å²	38.3	28%	0.278	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-63.9	-9.1	175.4	-163.4	54	0	0	0	113.1	L396 D397 F398 G399 P418 S422 G423	L396-D420 VanDerWaalsContact C-OD2 3.28Å; D397-D420 WeakPolarHBondContact CA-OD2 3.42Å; D397-D420 PolarHBondContact N-OD2 3.41Å; F398-D420 WeakPolarHBondContact CA-OD2 3.3Å; F398-D420 VanDerWaalsContact CB-O 3.25Å; F398-D420 WeakPolarHBondContact CB-O 3.45Å; F398-D420 WeakPolarHBondContact CB-OD2 3.44Å; F398-D420 PolarHBondContact N-OD2 3.29Å; G399-D420 PolarHBondContact N-OD2 3Å; P418-D420 PolarHBondContact O-N 2.96Å; P418-D420 VanDerWaalsContact O-N 3.16Å; D420-S422 PolarHBondContact O-N 2.79Å; D420-G423 PolarHBondContact O-N 3.3Å
421	V	97.4	Very high	97.8	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.018	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-51.4	-27	171.3	71.5	0	0	0	0	112.2	F398 I417 P418 E419 G423 L424 P441 L447	F398-V421 HydrophobicContact CD2-CB 4.29Å; I417-V421 HydrophobicContact CG2-CB 3.91Å; I417-V421 HydrophobicContact CG2-CG1 4.29Å; I417-V421 HydrophobicContact CG2-CG2 4Å; P418-V421 WeakPolarHBondContact O-CB 3.08Å; P418-V421 WeakPolarHBondContact O-CG1 3.13Å; P418-V421 PolarHBondContact O-N 3.05Å; E419-V421 PolarHBondContact O-N 2.99Å; V421-G423 PolarHBondContact O-N 3.43Å; V421-L424 HydrophobicContact CG2-CD1 3.85Å; V421-L424 WeakPolarHBondContact O-CB 3.19Å; V421-L424 PolarHBondContact O-N 3.36Å; V421-P441 HydrophobicContact CG1-CG 3.79Å; V421-L447 HydrophobicContact CG2-CD1 4.33Å; V421-L447 WeakPolarHBondContact O-CD2 3.43Å
422	S	96.4	Very high	97.8	Very high	37 Å²	37	37.4 Å²	37.4	26%	0.259	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-55.7	-19.3	172.1	56	0	0	0	0	115	E419 D420 L424 N446	E419-S422 PolarHBondContact O-N 3.29Å; E419-S422 PolarHBondContact O-OG 3.38Å; D420-S422 PolarHBondContact O-N 2.79Å; S422-L424 VanDerWaalsContact C-N 3.28Å; S422-L424 PolarHBondContact O-N 2.98Å; S422-N446 WeakPolarHBondContact CB-ND2 3.34Å
423	G	96.5	Very high	97.8	Very high	12 Å²	12	37.8 Å²	37.8	12%	0.124	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-70.7	-15.5	173.6	0	0	0	0	0	115	F398 D420 V421 V425	F398-G423 CarbonylContact O-C 3.6Å; D420-G423 PolarHBondContact O-N 3.3Å; V421-G423 PolarHBondContact O-N 3.43Å; G423-V425 PolarHBondContact O-N 3.28Å
424	L	97.6	Very high	97.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.			trans	-78.9	55.3	177.9	-57.7	172.7	0	0	0	111.7	F398 W401 M404 L407 V421 S422 S426 L427 L447	F398-L424 HydrophobicContact CB-CD2 4.27Å; F398-L424 HydrophobicContact CB-CG 4.2Å; F398-L424 HydrophobicContact CD1-CD1 4.41Å; F398-L424 HydrophobicContact CD1-CD2 4.08Å; F398-L424 HydrophobicContact CD1-CG 4.4Å; F398-L424 HydrophobicContact CG-CD1 4.46Å; F398-L424 HydrophobicContact CG-CD2 4.38Å; F398-L424 HydrophobicContact CG-CG 4.31Å; W401-L424 HydrophobicContact CB-CD2 3.51Å; W401-L424 HydrophobicContact CD2-CD2 4.43Å; W401-L424 HydrophobicContact CE3-CD2 4.09Å; W401-L424 HydrophobicContact CG-CD2 4.29Å; M404-L424 HydrophobicContact CB-CD2 4.13Å; L407-L424 HydrophobicContact CD2-CD1 3.83Å; V421-L424 HydrophobicContact CG2-CD1 3.85Å; V421-L424 WeakPolarHBondContact O-CB 3.19Å; V421-L424 PolarHBondContact O-N 3.36Å; S422-L424 VanDerWaalsContact C-N 3.28Å; S422-L424 PolarHBondContact O-N 2.98Å; L424-S426 PolarHBondContact O-N 2.93Å; L424-L427 HydrophobicContact CB-CB 4Å; L424-L427 HydrophobicContact CB-CD2 4.23Å; L424-L427 HydrophobicContact CD1-CD2 3.92Å; L424-L427 VanDerWaalsContact O-CB 3.28Å; L424-L427 WeakPolarHBondContact O-CB 3.22Å; L424-L427 PolarHBondContact O-N 2.85Å; L424-L447 HydrophobicContact CB-CD2 3.78Å; L424-L447 WeakPolarHBondContact O-CD2 3.49Å
425	V	96.3	Very high	97.8	Very high	78 Å²	78	36.9 Å²	36.9	47%	0.473	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.3	-170.1	-63.1	0	0	0	0	115.2	T402 G423	T402-V425 HydrophobicContact CG2-CG2 4.48Å; G423-V425 PolarHBondContact O-N 3.28Å
426	S	98.1	Very high	97.8	Very high	27 Å²	27	36.4 Å²	36.4	19%	0.189	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	1.1	178.9	-60.9	0	0	0	0	113.9	T402 M404 L424 E428	T402-S426 WeakPolarHBondContact O-CB 3.46Å; T402-S426 PolarHBondContact O-OG 3.01Å; M404-S426 CarbonylContact O-C 3.42Å; M404-S426 WeakPolarHBondContact O-CB 3.32Å; L424-S426 PolarHBondContact O-N 2.93Å; S426-E428 PolarHBondContact O-N 3.09Å
427	L	98.7	Very high	97.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.167	C	C	.	.			trans	-69.4	129.2	-170.4	-158.6	73.4	0	0	0	111.7	M404 L407 L424 L430 L447 K449 L450	M404-L427 HydrophobicContact CB-CD1 4.29Å; M404-L427 HydrophobicContact CG-CD1 3.79Å; M404-L427 WeakPolarHBondContact O-CA 3.31Å; M404-L427 PolarHBondContact O-N 3.16Å; M404-L427 VanDerWaalsContact O-N 3.15Å; L407-L427 HydrophobicContact CB-CD1 3.77Å; L424-L427 HydrophobicContact CB-CB 4Å; L424-L427 HydrophobicContact CB-CD2 4.23Å; L424-L427 HydrophobicContact CD1-CD2 3.92Å; L424-L427 VanDerWaalsContact O-CB 3.28Å; L424-L427 WeakPolarHBondContact O-CB 3.22Å; L424-L427 PolarHBondContact O-N 2.85Å; L427-L430 HydrophobicContact CD2-CB 3.81Å; L427-L430 HydrophobicContact CD2-CD1 4.19Å; L427-L430 HydrophobicContact CD2-CD2 4.2Å; L427-L430 HydrophobicContact CD2-CG 4.29Å; L427-L447 HydrophobicContact CD2-CD1 4.06Å; L427-K449 CarbonylContact O-C 3.56Å; L427-K449 VanDerWaalsContact O-C 3.24Å; L427-L450 HydrophobicContact CB-CD1 4.48Å; L427-L450 HydrophobicContact CD2-CD1 4.08Å; L427-L450 HydrophobicContact CG-CD1 4.13Å; L427-L450 WeakPolarHBondContact O-CA 3.33Å; L427-L450 PolarHBondContact O-N 2.97Å
428	E	98.8	Very high	97.9	Very high	59 Å²	59	34.6 Å²	34.6	28%	0.276	19%	0.188	S	C	.	.			trans	-111.9	-31.4	177.3	-63.7	-173.3	-164.3	0	0	111.7	V405 S426 K449 R451 E452	V405-E428 HydrophobicContact CG1-CB 3.92Å; V405-E428 HydrophobicContact CG1-CG 3.93Å; V405-E428 PolarHBondContact O-N 3.06Å; S426-E428 PolarHBondContact O-N 3.09Å; E428-K449 HydrophobicContact CG-CB 4.28Å; E428-R451 PolarHBondContact O-N 3.27Å; E428-R451 IonicContact OE2-CZ 2.81Å; E428-R451 IonicContact OE2-NE 3.95Å; E428-E452 PolarHBondContact O-N 2.93Å
429	V	98.9	Very high	97.9	Very high	31 Å²	31	39.7 Å²	39.7	19%	0.188	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121	-178	-179.7	0	0	0	0	109.7	V405 E406 L407 I431 E452	V405-V429 PolarHBondContact O-N 3.33Å; E406-V429 HydrophobicContact CB-CB 4.47Å; E406-V429 HydrophobicContact CG-CB 4.12Å; E406-V429 HydrophobicContact CG-CG1 4.24Å; L407-V429 PolarHBondContact N-O 2.86Å; V429-I431 HydrophobicContact CG1-CD1 4.21Å; V429-I431 HydrophobicContact CG1-CG1 3.93Å; V429-E452 HydrophobicContact CG1-CB 4.25Å; V429-E452 HydrophobicContact CG1-CG 4.44Å; V429-E452 HydrophobicContact CG2-CB 4.28Å
430	L	98.9	Very high	98	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	114.7	175.2	179.9	55.2	0	0	0	109.9	L407 L427 L432 I444 L447 L450 E452 L453 D454	L407-L430 HydrophobicContact CB-CD1 4.15Å; L407-L430 HydrophobicContact CD2-CD1 4.02Å; L407-L430 HydrophobicContact CG-CD1 4.1Å; L427-L430 HydrophobicContact CD2-CB 3.81Å; L427-L430 HydrophobicContact CD2-CD1 4.19Å; L427-L430 HydrophobicContact CD2-CD2 4.2Å; L427-L430 HydrophobicContact CD2-CG 4.29Å; L430-L432 HydrophobicContact CD1-CD1 4.16Å; L430-L432 HydrophobicContact CD1-CD2 4.44Å; L430-L432 HydrophobicContact CD1-CG 3.97Å; L430-L432 HydrophobicContact CD2-CD1 3.88Å; L430-L432 HydrophobicContact CG-CD1 3.89Å; L430-L432 HydrophobicContact CG-CG 4.04Å; L430-I444 HydrophobicContact CD2-CD1 3.85Å; L430-L447 HydrophobicContact CD2-CD1 4.14Å; L430-L450 HydrophobicContact CB-CD1 3.79Å; L430-E452 PolarHBondContact N-O 2.94Å; L430-L453 HydrophobicContact CB-CD1 4.11Å; L430-L453 HydrophobicContact CD2-CD1 3.96Å; L430-L453 HydrophobicContact CG-CD1 4.04Å; L430-L453 WeakPolarHBondContact O-CA 3.39Å; L430-D454 PolarHBondContact O-N 2.98Å
431	I	98.9	Very high	98.1	Very high	28 Å²	28	33.6 Å²	33.6	14%	0.144	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.4	179.1	-49.9	-176	0	0	0	109	L407 N408 L409 A410 V429 S433 D454	L407-I431 PolarHBondContact O-N 3.3Å; N408-I431 HydrophobicContact CB-CB 4.27Å; N408-I431 HydrophobicContact CB-CD1 4.48Å; L409-I431 PolarHBondContact N-O 3.27Å; A410-I431 HydrophobicContact CB-CG2 3.88Å; V429-I431 HydrophobicContact CG1-CD1 4.21Å; V429-I431 HydrophobicContact CG1-CG1 3.93Å; I431-S433 WeakPolarHBondContact CG2-OG 3.36Å; I431-D454 HydrophobicContact CB-CB 4.48Å; I431-D454 HydrophobicContact CG2-CB 4.05Å; I431-D454 WeakPolarHBondContact CG2-OD2 3.26Å
432	L	98.8	Very high	98.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.203	C	C	.	.			trans	-126.7	13.3	-177	-74	169.4	0	0	0	111.9	L409 L414 I417 L430 N435 L437 D454 L455 N458	L409-L432 HydrophobicContact CB-CD2 4.02Å; L409-L432 HydrophobicContact CD1-CD2 3.89Å; L414-L432 HydrophobicContact CD1-CD2 4.31Å; I417-L432 HydrophobicContact CD1-CD1 4.27Å; I417-L432 HydrophobicContact CD1-CD2 3.67Å; I417-L432 HydrophobicContact CG1-CD1 4.2Å; I417-L432 HydrophobicContact CG1-CD2 4.48Å; L430-L432 HydrophobicContact CD1-CD1 4.16Å; L430-L432 HydrophobicContact CD1-CD2 4.44Å; L430-L432 HydrophobicContact CD1-CG 3.97Å; L430-L432 HydrophobicContact CD2-CD1 3.88Å; L430-L432 HydrophobicContact CG-CD1 3.89Å; L430-L432 HydrophobicContact CG-CG 4.04Å; L432-N435 PolarHBondContact O-ND2 3.18Å; L432-L437 HydrophobicContact CB-CD1 4.19Å; L432-L437 HydrophobicContact CD1-CD1 4.18Å; L432-L437 HydrophobicContact CD2-CD1 4.44Å; L432-D454 WeakPolarHBondContact CA-O 3.38Å; L432-D454 WeakPolarHBondContact CB-O 3.44Å; L432-D454 PolarHBondContact N-O 2.94Å; L432-L455 HydrophobicContact CB-CD2 3.81Å; L432-L455 HydrophobicContact CD1-CD2 3.8Å; L432-L455 HydrophobicContact CG-CD2 4.46Å; L432-N458 PolarHBondContact O-ND2 2.72Å
433	S	98.8	Very high	98.1	Very high	17 Å²	17	37.2 Å²	37.2	12%	0.119	19%	0.192	C	C	.	.			trans	-59.4	152.1	-176.7	38.8	0	0	0	0	113.4	A410 T411 I431 N435 D454 E456	A410-S433 CarbonylContact C-O 3.58Å; A410-S433 WeakPolarHBondContact CA-O 3.38Å; A410-S433 WeakPolarHBondContact CB-OG 3.33Å; T411-S433 PolarHBondContact N-O 3.15Å; I431-S433 WeakPolarHBondContact CG2-OG 3.36Å; S433-N435 PolarHBondContact O-ND2 2.62Å; S433-D454 VanDerWaalsContact CB-OD2 3.3Å; S433-D454 WeakPolarHBondContact CB-OD2 3.39Å; S433-D454 PolarHBondContact N-O 2.94Å; S433-D454 PolarHBondContact OG-OD2 3.1Å; S433-E456 CarbonylContact C-O 3.51Å; S433-E456 WeakPolarHBondContact CA-O 3.35Å
434	N	98.8	Very high	98.1	Very high	68 Å²	68	36.7 Å²	36.7	36%	0.364	19%	0.187	S	C	.	.	S	Bend	trans	53.1	64.4	179.7	-164	-15.5	0	0	0	112.5	T411 N412 E456 E457	T411-N434 WeakPolarHBondContact CA-O 3.23Å; T411-N434 PolarHBondContact N-O 2.84Å; N412-N434 PolarHBondContact N-O 3.03Å; N412-N434 VanDerWaalsContact N-O 3.13Å; N434-E456 PolarHBondContact N-O 2.79Å; N434-E457 WeakPolarHBondContact CA-O 3.49Å; N434-E457 HydrophobicContact CB-CB 4.09Å; N434-E457 WeakPolarHBondContact CB-OE2 3.46Å; N434-E457 VanDerWaalsContact CG-OE2 3.23Å; N434-E457 PolarHBondContact N-O 2.99Å; N434-E457 PolarHBondContact ND2-OE2 3.41Å
435	N	98.8	Very high	98.1	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.032	19%	0.187	C	C	.	.	S	Bend	trans	-134.8	-169.5	175.9	-87.7	-78.5	0	0	0	109.6	L409 N412 Q413 L414 L432 S433 L437 E457 N458	L409-N435 PolarHBondContact O-ND2 2.86Å; N412-N435 WeakPolarHBondContact CA-OD1 3.35Å; N412-N435 WeakPolarHBondContact CB-OD1 3.34Å; N412-N435 PolarHBondContact O-OD1 3.16Å; Q413-N435 PolarHBondContact N-OD1 3.26Å; L414-N435 HydrophobicContact CB-CB 4.37Å; L414-N435 VanDerWaalsContact CB-OD1 3.26Å; L414-N435 WeakPolarHBondContact CB-OD1 3.04Å; L414-N435 WeakPolarHBondContact CG-OD1 3.05Å; L414-N435 PolarHBondContact N-OD1 3.1Å; L432-N435 PolarHBondContact O-ND2 3.18Å; S433-N435 PolarHBondContact O-ND2 2.62Å; N435-L437 HydrophobicContact CB-CG 4.24Å; N435-E457 PolarHBondContact N-O 3.39Å; N435-N458 WeakPolarHBondContact CA-OD1 3.42Å; N435-N458 WeakPolarHBondContact CB-OD1 3.48Å; N435-N458 PolarHBondContact O-OD1 2.94Å
436	L	98.5	Very high	98.1	Very high	69 Å²	69	36.9 Å²	36.9	36%	0.361	19%	0.185	S	C	.	.			trans	-115.3	28	-177.2	-57.7	173.9	0	0	0	111.8	L414 T415 K438 K459	L414-L436 CarbonylContact O-C 3.19Å; L414-L436 VanDerWaalsContact O-CA 3.27Å; L414-L436 WeakPolarHBondContact O-CA 3.42Å; L414-L436 WeakPolarHBondContact O-CB 3.19Å; L414-L436 PolarHBondContact O-N 3.13Å; T415-L436 HydrophobicContact CG2-CB 4.17Å; L436-K438 PolarHBondContact O-N 2.91Å; L436-K459 HydrophobicContact CD2-CD 4.48Å
437	L	98.6	Very high	98.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.			trans	-70.4	127.4	-175.2	-59.5	176.4	0	0	0	110.8	L414 I417 L432 N435 L440 L455 N458 K459 L460	L414-L437 HydrophobicContact CB-CD2 4.15Å; L414-L437 PolarHBondContact O-N 2.94Å; I417-L437 HydrophobicContact CD1-CD1 4.26Å; I417-L437 HydrophobicContact CD1-CD2 3.97Å; I417-L437 HydrophobicContact CG1-CD1 4.07Å; I417-L437 HydrophobicContact CG1-CD2 3.92Å; L432-L437 HydrophobicContact CB-CD1 4.19Å; L432-L437 HydrophobicContact CD1-CD1 4.18Å; L432-L437 HydrophobicContact CD2-CD1 4.44Å; N435-L437 HydrophobicContact CB-CG 4.24Å; L437-L440 HydrophobicContact CD1-CD2 4.47Å; L437-L455 HydrophobicContact CD1-CD2 4.24Å; L437-N458 HydrophobicContact CB-CB 4.43Å; L437-N458 VanDerWaalsContact CB-OD1 3.28Å; L437-N458 WeakPolarHBondContact CB-OD1 3.37Å; L437-N458 WeakPolarHBondContact CG-OD1 3.36Å; L437-N458 PolarHBondContact N-OD1 2.9Å; L437-N458 VanDerWaalsContact N-OD1 3.08Å; L437-K459 CarbonylContact O-C 3.28Å; L437-K459 VanDerWaalsContact O-CA 3.24Å; L437-K459 WeakPolarHBondContact O-CA 3.26Å; L437-K459 PolarHBondContact O-N 2.92Å; L437-L460 HydrophobicContact CB-CD2 4.08Å; L437-L460 PolarHBondContact O-N 3.18Å
438	K	98.1	Very high	98	Very high	118 Å²	118	44 Å²	44	51%	0.513	21%	0.208	S	C	.	.	S	Bend	trans	-94.4	-30.4	174	-66.7	-169.6	176.2	-166.6	0	114.1	L436 K459 L460 E461	L436-K438 PolarHBondContact O-N 2.91Å; K438-K459 WeakPolarHBondContact CA-O 3.31Å; K438-K459 HydrophobicContact CG-CB 4.31Å; K438-L460 WeakPolarHBondContact O-CA 3.41Å; K438-E461 PolarHBondContact O-N 3.19Å; K438-E461 VanDerWaalsContact O-N 3.15Å
439	K	97.8	Very high	98	Very high	127 Å²	127	45.8 Å²	45.8	55%	0.552	22%	0.215	S	C	*	.			trans	-148.3	155.5	-177.5	-63	-174	179.2	-177.5	0	109.4
440	L	98.1	Very high	98	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.068	21%	0.206	C	C	.	.			trans	-98	147.1	167.5	-61.7	174.1	0	0	0	110.5	L437 L455 L460 L463 P464	L437-L440 HydrophobicContact CD1-CD2 4.47Å; L440-L455 HydrophobicContact CD1-CD1 3.6Å; L440-L455 HydrophobicContact CD2-CD1 4.41Å; L440-L455 HydrophobicContact CD2-CD2 3.79Å; L440-L455 HydrophobicContact CG-CD1 4.49Å; L440-L460 HydrophobicContact CD2-CD2 4.45Å; L440-L460 HydrophobicContact CG-CD2 4.2Å; L440-L463 HydrophobicContact CD1-CD2 4Å; L440-P464 HydrophobicContact CB-CG 4.05Å
441	P	97.5	Very high	98	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.052	23%	0.225	C	C	.	.			trans	-68.7	155.6	172.7	29.6	-35.6	0	0	0	111.6	I417 E419 V421 G443 I444	I417-P441 HydrophobicContact CB-CG 4.01Å; I417-P441 HydrophobicContact CG2-CG 4.06Å; E419-P441 VanDerWaalsContact CD-CB 3.41Å; E419-P441 HydrophobicContact CG-CB 4.22Å; E419-P441 VanDerWaalsContact OE1-CA 3.26Å; E419-P441 WeakPolarHBondContact OE1-CA 3.45Å; E419-P441 WeakPolarHBondContact OE1-CB 3.16Å; V421-P441 HydrophobicContact CG1-CG 3.79Å; P441-G443 PolarHBondContact O-N 3.01Å; P441-I444 WeakPolarHBondContact O-CB 3.43Å; P441-I444 VanDerWaalsContact O-CG2 3.27Å; P441-I444 WeakPolarHBondContact O-CG2 3.17Å; P441-I444 PolarHBondContact O-N 3.43Å
442	H	96.4	Very high	98	Very high	112 Å²	112	50.5 Å²	50.5	52%	0.519	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-65.2	-31.6	176.9	-63.3	-70.3	0	0	0	111.8	E419 I444 G445 E466	E419-H442 IonicContact OE1-CD2 3.91Å; E419-H442 PolarHBondContact OE1-N 2.84Å; E419-H442 PolarHBondContact OE2-N 3.04Å; H442-I444 PolarHBondContact O-N 3.15Å; H442-G445 PolarHBondContact O-N 3.39Å; H442-G445 VanDerWaalsContact O-N 3.16Å; H442-E466 HydrophobicContact CB-CG 4.28Å; H442-E466 IonicContact CE1-OE2 2.83Å; H442-E466 IonicContact CG-OE2 3.49Å; H442-E466 VanDerWaalsContact ND1-CD 3.32Å; H442-E466 IonicContact ND1-OE1 3.94Å; H442-E466 PolarHBondContact ND1-OE1 2.95Å; H442-E466 IonicContact ND1-OE2 3.78Å; H442-E466 PolarHBondContact ND1-OE2 3.35Å; H442-E466 WeakPolarHBondContact O-CB 3.4Å
443	G	96.8	Very high	98	Very high	4 Å²	4	50.4 Å²	50.4	4%	0.041	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-56.8	-15.6	176.5	0	0	0	0	0	114.9	E419 P441 G445 N446	E419-G443 PolarHBondContact OE2-N 2.79Å; P441-G443 PolarHBondContact O-N 3.01Å; G443-G445 PolarHBondContact O-N 3.33Å; G443-N446 WeakPolarHBondContact O-CB 3.42Å; G443-N446 PolarHBondContact O-N 3.34Å; G443-N446 VanDerWaalsContact O-N 3.11Å
444	I	97.5	Very high	98	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-57.3	-35	174.3	-159.6	74.2	0	0	0	111.9	L430 P441 H442 N446 L447 P464 L470	L430-I444 HydrophobicContact CD2-CD1 3.85Å; P441-I444 WeakPolarHBondContact O-CB 3.43Å; P441-I444 VanDerWaalsContact O-CG2 3.27Å; P441-I444 WeakPolarHBondContact O-CG2 3.17Å; P441-I444 PolarHBondContact O-N 3.43Å; H442-I444 PolarHBondContact O-N 3.15Å; I444-N446 PolarHBondContact O-N 3.37Å; I444-N446 VanDerWaalsContact O-N 3.09Å; I444-L447 HydrophobicContact CD1-CD1 3.55Å; I444-L447 HydrophobicContact CG1-CD1 4.27Å; I444-L447 WeakPolarHBondContact O-CB 3.47Å; I444-L447 WeakPolarHBondContact O-CG 3.2Å; I444-L447 PolarHBondContact O-N 3.09Å; I444-L447 VanDerWaalsContact O-N 3.11Å; I444-P464 HydrophobicContact CG2-CG 3.87Å; I444-L470 WeakPolarHBondContact O-CD2 3.07Å
445	G	96.7	Very high	98	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.01	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-66.7	-10.6	-180	0	0	0	0	0	114.6	H442 G443 L447 E466 Y469	H442-G445 PolarHBondContact O-N 3.39Å; H442-G445 VanDerWaalsContact O-N 3.16Å; G443-G445 PolarHBondContact O-N 3.33Å; G445-L447 VanDerWaalsContact C-N 3.34Å; G445-E466 VanDerWaalsContact CA-O 3.29Å; G445-E466 WeakPolarHBondContact CA-O 3.28Å; G445-Y469 VanDerWaalsContact O-CB 3.31Å; G445-Y469 WeakPolarHBondContact O-CB 3.43Å
446	N	97.2	Very high	98	Very high	81 Å²	81	50.2 Å²	50.2	43%	0.433	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-83.4	-9	175.4	-71.3	-26.9	0	0	0	113.4	S422 G443 I444 R448	S422-N446 WeakPolarHBondContact CB-ND2 3.34Å; G443-N446 WeakPolarHBondContact O-CB 3.42Å; G443-N446 PolarHBondContact O-N 3.34Å; G443-N446 VanDerWaalsContact O-N 3.11Å; I444-N446 PolarHBondContact O-N 3.37Å; I444-N446 VanDerWaalsContact O-N 3.09Å; N446-R448 PolarHBondContact O-N 3.4Å
447	L	98	Very high	98	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	23%	0.225	C	C	.	.			trans	-77	61.1	177.7	-55.4	-177.3	0	0	0	111.5	V421 L424 L427 L430 I444 G445 K449 L450 L470	V421-L447 HydrophobicContact CG2-CD1 4.33Å; V421-L447 WeakPolarHBondContact O-CD2 3.43Å; L424-L447 HydrophobicContact CB-CD2 3.78Å; L424-L447 WeakPolarHBondContact O-CD2 3.49Å; L427-L447 HydrophobicContact CD2-CD1 4.06Å; L430-L447 HydrophobicContact CD2-CD1 4.14Å; I444-L447 HydrophobicContact CD1-CD1 3.55Å; I444-L447 HydrophobicContact CG1-CD1 4.27Å; I444-L447 WeakPolarHBondContact O-CB 3.47Å; I444-L447 WeakPolarHBondContact O-CG 3.2Å; I444-L447 PolarHBondContact O-N 3.09Å; I444-L447 VanDerWaalsContact O-N 3.11Å; G445-L447 VanDerWaalsContact C-N 3.34Å; L447-K449 PolarHBondContact O-N 3.31Å; L447-L450 HydrophobicContact CB-CB 4.03Å; L447-L450 HydrophobicContact CB-CD2 4.48Å; L447-L450 HydrophobicContact CD1-CD2 4.26Å; L447-L450 WeakPolarHBondContact O-CB 3.43Å; L447-L450 PolarHBondContact O-N 3.14Å; L447-L470 HydrophobicContact CB-CD2 4.1Å; L447-L470 VanDerWaalsContact O-CD2 3.26Å; L447-L470 WeakPolarHBondContact O-CD2 2.99Å
448	R	96.9	Very high	98	Very high	175 Å²	175	51.2 Å²	51.2	66%	0.66	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.6	-166.9	-65.1	-172.3	-179.8	-167.9	0.4	115.4	N446	N446-R448 PolarHBondContact O-N 3.4Å
449	K	98.3	Very high	98	Very high	96 Å²	96	49.9 Å²	49.9	42%	0.417	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-0.3	175.9	-63.2	-172.4	-174.7	173.1	0	113.4	L427 E428 L447 R451	L427-K449 CarbonylContact O-C 3.56Å; L427-K449 VanDerWaalsContact O-C 3.24Å; E428-K449 HydrophobicContact CG-CB 4.28Å; L447-K449 PolarHBondContact O-N 3.31Å; K449-R451 WeakPolarHBondContact O-CG 3.39Å; K449-R451 PolarHBondContact O-N 3.28Å
450	L	98.7	Very high	98.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.196	C	C	.	.			trans	-65.3	125.4	-174.9	-161.5	72.8	0	0	0	110.3	L427 L430 L447 L453 L470 D472 L473	L427-L450 HydrophobicContact CB-CD1 4.48Å; L427-L450 HydrophobicContact CD2-CD1 4.08Å; L427-L450 HydrophobicContact CG-CD1 4.13Å; L427-L450 WeakPolarHBondContact O-CA 3.33Å; L427-L450 PolarHBondContact O-N 2.97Å; L430-L450 HydrophobicContact CB-CD1 3.79Å; L447-L450 HydrophobicContact CB-CB 4.03Å; L447-L450 HydrophobicContact CB-CD2 4.48Å; L447-L450 HydrophobicContact CD1-CD2 4.26Å; L447-L450 WeakPolarHBondContact O-CB 3.43Å; L447-L450 PolarHBondContact O-N 3.14Å; L450-L453 HydrophobicContact CD2-CB 3.89Å; L450-L453 HydrophobicContact CD2-CD1 4.29Å; L450-L453 HydrophobicContact CD2-CD2 4.24Å; L450-L453 HydrophobicContact CD2-CG 4.37Å; L450-L470 HydrophobicContact CB-CD2 4.39Å; L450-L470 HydrophobicContact CD2-CD1 4.02Å; L450-D472 CarbonylContact O-C 3.35Å; L450-D472 VanDerWaalsContact O-C 3.25Å; L450-L473 HydrophobicContact CB-CD1 4.38Å; L450-L473 HydrophobicContact CD2-CD1 4.11Å; L450-L473 HydrophobicContact CG-CD1 4.05Å; L450-L473 VanDerWaalsContact O-CA 3.24Å; L450-L473 WeakPolarHBondContact O-CA 3.43Å; L450-L473 PolarHBondContact O-N 3.02Å; L450-L473 VanDerWaalsContact O-N 3.13Å
451	R	98.8	Very high	98	Very high	109 Å²	109	47.2 Å²	47.2	41%	0.411	21%	0.211	S	C	.	.			trans	-109.6	-35.5	-179.7	-62	-178.1	-177.3	-160.4	2.1	111.8	E428 K449 Q474 K475	E428-R451 PolarHBondContact O-N 3.27Å; E428-R451 IonicContact OE2-CZ 2.81Å; E428-R451 IonicContact OE2-NE 3.95Å; K449-R451 WeakPolarHBondContact O-CG 3.39Å; K449-R451 PolarHBondContact O-N 3.28Å; R451-Q474 WeakPolarHBondContact O-CA 3.39Å; R451-Q474 PolarHBondContact O-N 3Å; R451-K475 PolarHBondContact O-N 2.8Å
452	E	98.9	Very high	98	Very high	52 Å²	52	49.3 Å²	49.3	24%	0.243	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.5	179.2	-178.2	164.3	-172.3	0	0	110.3	E428 V429 L430 K475	E428-E452 PolarHBondContact O-N 2.93Å; V429-E452 HydrophobicContact CG1-CB 4.25Å; V429-E452 HydrophobicContact CG1-CG 4.44Å; V429-E452 HydrophobicContact CG2-CB 4.28Å; L430-E452 PolarHBondContact N-O 2.94Å; E452-K475 WeakPolarHBondContact CA-O 3.28Å; E452-K475 HydrophobicContact CB-CB 4.45Å; E452-K475 HydrophobicContact CG-CB 4.24Å; E452-K475 HydrophobicContact CG-CD 4.11Å; E452-K475 HydrophobicContact CG-CG 4.32Å; E452-K475 WeakPolarHBondContact OE1-CD 3.44Å; E452-K475 WeakPolarHBondContact OE1-CE 3.42Å; E452-K475 IonicContact OE1-NZ 3.24Å; E452-K475 PolarHBondContact OE1-NZ 3.24Å
453	L	98.9	Very high	98.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	108.5	172.7	179.8	55	0	0	0	108.9	L430 L450 L455 I467 L470 L473 K475 L476 V477	L430-L453 HydrophobicContact CB-CD1 4.11Å; L430-L453 HydrophobicContact CD2-CD1 3.96Å; L430-L453 HydrophobicContact CG-CD1 4.04Å; L430-L453 WeakPolarHBondContact O-CA 3.39Å; L450-L453 HydrophobicContact CD2-CB 3.89Å; L450-L453 HydrophobicContact CD2-CD1 4.29Å; L450-L453 HydrophobicContact CD2-CD2 4.24Å; L450-L453 HydrophobicContact CD2-CG 4.37Å; L453-L455 HydrophobicContact CD1-CD1 4.03Å; L453-L455 HydrophobicContact CD1-CD2 4.37Å; L453-L455 HydrophobicContact CD1-CG 3.95Å; L453-L455 HydrophobicContact CD2-CD1 3.8Å; L453-L455 HydrophobicContact CG-CD1 3.72Å; L453-L455 HydrophobicContact CG-CG 4.01Å; L453-I467 HydrophobicContact CD2-CD1 3.92Å; L453-L470 HydrophobicContact CD2-CD1 4.45Å; L453-L473 HydrophobicContact CB-CD1 3.92Å; L453-K475 PolarHBondContact N-O 2.97Å; L453-L476 HydrophobicContact CB-CD1 4.06Å; L453-L476 HydrophobicContact CD2-CD1 3.94Å; L453-L476 HydrophobicContact CG-CD1 4.02Å; L453-L476 WeakPolarHBondContact O-CA 3.15Å; L453-V477 PolarHBondContact O-N 2.82Å
454	D	98.9	Very high	98.1	Very high	18 Å²	18	45 Å²	45	10%	0.096	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.2	175.7	177.8	13.5	0	0	0	110.4	L430 I431 L432 S433 E456 V477	L430-D454 PolarHBondContact O-N 2.98Å; I431-D454 HydrophobicContact CB-CB 4.48Å; I431-D454 HydrophobicContact CG2-CB 4.05Å; I431-D454 WeakPolarHBondContact CG2-OD2 3.26Å; L432-D454 WeakPolarHBondContact CA-O 3.38Å; L432-D454 WeakPolarHBondContact CB-O 3.44Å; L432-D454 PolarHBondContact N-O 2.94Å; S433-D454 VanDerWaalsContact CB-OD2 3.3Å; S433-D454 WeakPolarHBondContact CB-OD2 3.39Å; S433-D454 PolarHBondContact N-O 2.94Å; S433-D454 PolarHBondContact OG-OD2 3.1Å; D454-E456 VanDerWaalsContact OD1-CB 3.29Å; D454-E456 WeakPolarHBondContact OD1-CB 3.47Å; D454-E456 PolarHBondContact OD1-N 2.9Å; D454-V477 HydrophobicContact CB-CB 4.49Å
455	L	98.8	Very high	98.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.235	C	C	.	.			trans	-128.7	19.2	-178.7	-69	162.8	0	0	0	111.5	L432 L437 L440 L453 N458 L460 V477 L478 N481	L432-L455 HydrophobicContact CB-CD2 3.81Å; L432-L455 HydrophobicContact CD1-CD2 3.8Å; L432-L455 HydrophobicContact CG-CD2 4.46Å; L437-L455 HydrophobicContact CD1-CD2 4.24Å; L440-L455 HydrophobicContact CD1-CD1 3.6Å; L440-L455 HydrophobicContact CD2-CD1 4.41Å; L440-L455 HydrophobicContact CD2-CD2 3.79Å; L440-L455 HydrophobicContact CG-CD1 4.49Å; L453-L455 HydrophobicContact CD1-CD1 4.03Å; L453-L455 HydrophobicContact CD1-CD2 4.37Å; L453-L455 HydrophobicContact CD1-CG 3.95Å; L453-L455 HydrophobicContact CD2-CD1 3.8Å; L453-L455 HydrophobicContact CG-CD1 3.72Å; L453-L455 HydrophobicContact CG-CG 4.01Å; L455-N458 PolarHBondContact O-ND2 2.87Å; L455-N458 VanDerWaalsContact O-ND2 3.16Å; L455-L460 HydrophobicContact CB-CD1 3.96Å; L455-L460 HydrophobicContact CD1-CD1 4.04Å; L455-L460 HydrophobicContact CD2-CD1 4.3Å; L455-L460 HydrophobicContact CG-CD1 4.35Å; L455-V477 CarbonylContact C-O 3.04Å; L455-V477 WeakPolarHBondContact CA-O 3.21Å; L455-V477 WeakPolarHBondContact CB-O 3.31Å; L455-V477 PolarHBondContact N-O 3.28Å; L455-L478 HydrophobicContact CB-CD2 3.89Å; L455-L478 HydrophobicContact CD1-CD2 3.71Å; L455-L478 HydrophobicContact CG-CD2 4.47Å; L455-N481 PolarHBondContact O-ND2 3.4Å
456	E	98.7	Very high	98.1	Very high	69 Å²	69	52.7 Å²	52.7	32%	0.322	25%	0.246	S	C	.	.			trans	-53.9	151	178.1	177	169.3	-148.2	0	0	112.1	S433 N434 D454 N458 V477 T479	S433-E456 CarbonylContact C-O 3.51Å; S433-E456 WeakPolarHBondContact CA-O 3.35Å; N434-E456 PolarHBondContact N-O 2.79Å; D454-E456 VanDerWaalsContact OD1-CB 3.29Å; D454-E456 WeakPolarHBondContact OD1-CB 3.47Å; D454-E456 PolarHBondContact OD1-N 2.9Å; E456-N458 PolarHBondContact O-N 3.44Å; E456-N458 PolarHBondContact O-ND2 2.98Å; E456-V477 HydrophobicContact CB-CG1 3.96Å; E456-T479 CarbonylContact C-O 3.14Å; E456-T479 VanDerWaalsContact CA-O 3.26Å; E456-T479 WeakPolarHBondContact CA-O 3.4Å
457	E	98.6	Very high	98.1	Very high	81 Å²	81	48.9 Å²	48.9	38%	0.379	23%	0.225	S	C	.	.	S	Bend	trans	53.4	55.8	174.6	-73.5	-178.5	-177.5	0	0	112.7	N434 N435 T479 N480	N434-E457 WeakPolarHBondContact CA-O 3.49Å; N434-E457 HydrophobicContact CB-CB 4.09Å; N434-E457 WeakPolarHBondContact CB-OE2 3.46Å; N434-E457 VanDerWaalsContact CG-OE2 3.23Å; N434-E457 PolarHBondContact N-O 2.99Å; N434-E457 PolarHBondContact ND2-OE2 3.41Å; N435-E457 PolarHBondContact N-O 3.39Å; E457-T479 PolarHBondContact N-O 2.62Å; E457-N480 VanDerWaalsContact CA-O 3.31Å; E457-N480 WeakPolarHBondContact CA-O 3.18Å; E457-N480 HydrophobicContact CG-CB 4.1Å; E457-N480 PolarHBondContact N-O 3.44Å
458	N	98.8	Very high	98.1	Very high	10 Å²	10	49.1 Å²	49.1	5%	0.053	23%	0.227	C	C	.	.	S	Bend	trans	-124.7	-166.3	175.2	-88	-83.2	0	0	0	110.4	L432 N435 L437 L455 E456 L460 N480 N481	L432-N458 PolarHBondContact O-ND2 2.72Å; N435-N458 WeakPolarHBondContact CA-OD1 3.42Å; N435-N458 WeakPolarHBondContact CB-OD1 3.48Å; N435-N458 PolarHBondContact O-OD1 2.94Å; L437-N458 HydrophobicContact CB-CB 4.43Å; L437-N458 VanDerWaalsContact CB-OD1 3.28Å; L437-N458 WeakPolarHBondContact CB-OD1 3.37Å; L437-N458 WeakPolarHBondContact CG-OD1 3.36Å; L437-N458 PolarHBondContact N-OD1 2.9Å; L437-N458 VanDerWaalsContact N-OD1 3.08Å; L455-N458 PolarHBondContact O-ND2 2.87Å; L455-N458 VanDerWaalsContact O-ND2 3.16Å; E456-N458 PolarHBondContact O-N 3.44Å; E456-N458 PolarHBondContact O-ND2 2.98Å; N458-L460 HydrophobicContact CB-CG 4.21Å; N458-N480 PolarHBondContact N-O 3.09Å; N458-N480 VanDerWaalsContact N-O 3.17Å; N458-N481 WeakPolarHBondContact CA-OD1 3.17Å; N458-N481 WeakPolarHBondContact CB-OD1 3.42Å; N458-N481 PolarHBondContact O-OD1 3.21Å
459	K	98.5	Very high	98.1	Very high	90 Å²	90	46.8 Å²	46.8	39%	0.391	22%	0.22	S	C	.	.			trans	-119.9	30.9	178.7	-59.6	-175	179.2	-178.1	0	111.2	L436 L437 K438 E461 N481	L436-K459 HydrophobicContact CD2-CD 4.48Å; L437-K459 CarbonylContact O-C 3.28Å; L437-K459 VanDerWaalsContact O-CA 3.24Å; L437-K459 WeakPolarHBondContact O-CA 3.26Å; L437-K459 PolarHBondContact O-N 2.92Å; K438-K459 WeakPolarHBondContact CA-O 3.31Å; K438-K459 HydrophobicContact CG-CB 4.31Å; K459-E461 PolarHBondContact O-N 3.02Å; K459-N481 PolarHBondContact N-OD1 3.15Å
460	L	98.6	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.			trans	-66.6	122.4	-173.3	-64.9	174.6	0	0	0	110.7	L437 K438 L440 L455 N458 L478 N481 Q482 L483	L437-L460 HydrophobicContact CB-CD2 4.08Å; L437-L460 PolarHBondContact O-N 3.18Å; K438-L460 WeakPolarHBondContact O-CA 3.41Å; L440-L460 HydrophobicContact CD2-CD2 4.45Å; L440-L460 HydrophobicContact CG-CD2 4.2Å; L455-L460 HydrophobicContact CB-CD1 3.96Å; L455-L460 HydrophobicContact CD1-CD1 4.04Å; L455-L460 HydrophobicContact CD2-CD1 4.3Å; L455-L460 HydrophobicContact CG-CD1 4.35Å; N458-L460 HydrophobicContact CB-CG 4.21Å; L460-L478 HydrophobicContact CD1-CD2 4.01Å; L460-N481 HydrophobicContact CB-CB 4.32Å; L460-N481 VanDerWaalsContact CB-OD1 3.26Å; L460-N481 WeakPolarHBondContact CB-OD1 3.48Å; L460-N481 WeakPolarHBondContact CG-OD1 3.33Å; L460-N481 PolarHBondContact N-OD1 3.01Å; L460-Q482 CarbonylContact O-C 3.04Å; L460-Q482 VanDerWaalsContact O-CA 3.24Å; L460-Q482 WeakPolarHBondContact O-CA 3.21Å; L460-Q482 WeakPolarHBondContact O-CB 3.34Å; L460-Q482 PolarHBondContact O-N 3.23Å; L460-L483 HydrophobicContact CB-CD2 4.08Å; L460-L483 PolarHBondContact O-N 3.11Å
461	E	97.6	Very high	98	Very high	84 Å²	84	48.5 Å²	48.5	39%	0.393	23%	0.227	S	C	.	.			trans	-87.1	-31	177.4	-65	168.5	-166.1	0	0	111.7	K438 K459	K438-E461 PolarHBondContact O-N 3.19Å; K438-E461 VanDerWaalsContact O-N 3.15Å; K459-E461 PolarHBondContact O-N 3.02Å
462	S	97.2	Very high	98	Very high	52 Å²	52	46.4 Å²	46.4	36%	0.364	22%	0.224	S	C	.	.			trans	-158.4	164.8	177.4	65.5	0	0	0	0	111.9
463	L	98.1	Very high	98	Very high	11 Å²	11	44 Å²	44	6%	0.058	21%	0.212	C	C	.	.			trans	-99.3	147.1	168.8	-62.2	176.5	0	0	0	111.1	L440 L478 L483 L486 P487	L440-L463 HydrophobicContact CD1-CD2 4Å; L463-L478 HydrophobicContact CD1-CD1 3.72Å; L463-L478 HydrophobicContact CD2-CD1 4.48Å; L463-L478 HydrophobicContact CD2-CD2 3.82Å; L463-L483 HydrophobicContact CG-CD2 4.39Å; L463-L486 HydrophobicContact CD1-CD2 3.87Å; L463-P487 HydrophobicContact CB-CG 4.1Å
464	P	97.3	Very high	98	Very high	15 Å²	15	48 Å²	48	10%	0.097	23%	0.231	C	C	.	.			trans	-69.2	150.7	171.7	29.8	-34.3	0	0	0	111.2	L440 I444 E466 I467	L440-P464 HydrophobicContact CB-CG 4.05Å; I444-P464 HydrophobicContact CG2-CG 3.87Å; P464-E466 WeakPolarHBondContact CB-OE2 3.43Å; P464-E466 PolarHBondContact O-N 2.92Å; P464-I467 WeakPolarHBondContact O-CB 3.43Å; P464-I467 VanDerWaalsContact O-CG2 3.29Å; P464-I467 WeakPolarHBondContact O-CG2 3.26Å; P464-I467 PolarHBondContact O-N 2.91Å
465	N	96.7	Very high	98	Very high	114 Å²	114	50.6 Å²	50.6	61%	0.61	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-63.7	-26.8	178.1	-72.5	-29.3	0	0	0	112.1	I467 A468 P487	N465-I467 PolarHBondContact O-N 3Å; N465-I467 VanDerWaalsContact O-N 3.15Å; N465-A468 VanDerWaalsContact O-CB 3.27Å; N465-A468 WeakPolarHBondContact O-CB 3.48Å; N465-A468 PolarHBondContact O-N 2.87Å; N465-P487 WeakPolarHBondContact OD1-CB 3.47Å
466	E	97.8	Very high	98	Very high	49 Å²	49	50.6 Å²	50.6	23%	0.229	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-64.3	-13	178.5	-67	74.2	-162.7	0	0	113.5	H442 G445 P464 A468 Y469	H442-E466 HydrophobicContact CB-CG 4.28Å; H442-E466 IonicContact CE1-OE2 2.83Å; H442-E466 IonicContact CG-OE2 3.49Å; H442-E466 VanDerWaalsContact ND1-CD 3.32Å; H442-E466 IonicContact ND1-OE1 3.94Å; H442-E466 PolarHBondContact ND1-OE1 2.95Å; H442-E466 IonicContact ND1-OE2 3.78Å; H442-E466 PolarHBondContact ND1-OE2 3.35Å; H442-E466 WeakPolarHBondContact O-CB 3.4Å; G445-E466 VanDerWaalsContact CA-O 3.29Å; G445-E466 WeakPolarHBondContact CA-O 3.28Å; P464-E466 WeakPolarHBondContact CB-OE2 3.43Å; P464-E466 PolarHBondContact O-N 2.92Å; E466-A468 PolarHBondContact O-N 2.92Å; E466-A468 VanDerWaalsContact O-N 3.11Å; E466-Y469 HydrophobicContact CB-CD2 4.1Å; E466-Y469 HydrophobicContact CB-CE2 4.19Å; E466-Y469 HydrophobicContact CG-CD2 4.32Å; E466-Y469 HydrophobicContact CG-CE2 3.93Å; E466-Y469 WeakPolarHBondContact O-CB 3.12Å; E466-Y469 PolarHBondContact O-N 3.16Å
467	I	97.2	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-54.1	-30.7	170.7	-159.9	75.7	0	0	0	111.3	L453 P464 N465 Y469 L470 P487 L493	L453-I467 HydrophobicContact CD2-CD1 3.92Å; P464-I467 WeakPolarHBondContact O-CB 3.43Å; P464-I467 VanDerWaalsContact O-CG2 3.29Å; P464-I467 WeakPolarHBondContact O-CG2 3.26Å; P464-I467 PolarHBondContact O-N 2.91Å; N465-I467 PolarHBondContact O-N 3Å; N465-I467 VanDerWaalsContact O-N 3.15Å; I467-Y469 PolarHBondContact O-N 3.49Å; I467-L470 HydrophobicContact CD1-CD1 3.53Å; I467-L470 HydrophobicContact CG1-CD1 4.25Å; I467-L470 WeakPolarHBondContact O-CB 3.31Å; I467-L470 WeakPolarHBondContact O-CG 3.18Å; I467-L470 PolarHBondContact O-N 2.8Å; I467-L470 VanDerWaalsContact O-N 3.08Å; I467-P487 HydrophobicContact CG2-CG 3.89Å; I467-L493 WeakPolarHBondContact O-CD2 3.35Å
468	A	96.9	Very high	98	Very high	6 Å²	6	43.9 Å²	43.9	5%	0.05	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-61.4	-12.5	178.2	0	0	0	0	0	114.5	N465 E466 G489 H492	N465-A468 VanDerWaalsContact O-CB 3.27Å; N465-A468 WeakPolarHBondContact O-CB 3.48Å; N465-A468 PolarHBondContact O-N 2.87Å; E466-A468 PolarHBondContact O-N 2.92Å; E466-A468 VanDerWaalsContact O-N 3.11Å; A468-G489 VanDerWaalsContact CB-O 3.23Å; A468-G489 WeakPolarHBondContact CB-O 3.33Å; A468-H492 HydrophobicContact CB-CB 4.19Å; A468-H492 WeakPolarHBondContact O-CB 3.24Å
469	Y	97.9	Very high	97.9	Very high	127 Å²	127	44.5 Å²	44.5	50%	0.498	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-86.8	-10.9	178.2	-58.7	-24.8	0	0	0	113.4	G445 E466 I467 K471	G445-Y469 VanDerWaalsContact O-CB 3.31Å; G445-Y469 WeakPolarHBondContact O-CB 3.43Å; E466-Y469 HydrophobicContact CB-CD2 4.1Å; E466-Y469 HydrophobicContact CB-CE2 4.19Å; E466-Y469 HydrophobicContact CG-CD2 4.32Å; E466-Y469 HydrophobicContact CG-CE2 3.93Å; E466-Y469 WeakPolarHBondContact O-CB 3.12Å; E466-Y469 PolarHBondContact O-N 3.16Å; I467-Y469 PolarHBondContact O-N 3.49Å; Y469-K471 PolarHBondContact O-N 3Å
470	L	97.9	Very high	97.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.213	C	C	.	.			trans	-80.9	60.4	-179.2	-55.9	-177	0	0	0	112	I444 L447 L450 L453 I467 D472 L473 L493	I444-L470 WeakPolarHBondContact O-CD2 3.07Å; L447-L470 HydrophobicContact CB-CD2 4.1Å; L447-L470 VanDerWaalsContact O-CD2 3.26Å; L447-L470 WeakPolarHBondContact O-CD2 2.99Å; L450-L470 HydrophobicContact CB-CD2 4.39Å; L450-L470 HydrophobicContact CD2-CD1 4.02Å; L453-L470 HydrophobicContact CD2-CD1 4.45Å; I467-L470 HydrophobicContact CD1-CD1 3.53Å; I467-L470 HydrophobicContact CG1-CD1 4.25Å; I467-L470 WeakPolarHBondContact O-CB 3.31Å; I467-L470 WeakPolarHBondContact O-CG 3.18Å; I467-L470 PolarHBondContact O-N 2.8Å; I467-L470 VanDerWaalsContact O-N 3.08Å; L470-D472 PolarHBondContact O-N 3.01Å; L470-D472 VanDerWaalsContact O-N 3.13Å; L470-L473 HydrophobicContact CB-CB 4.06Å; L470-L473 HydrophobicContact CD1-CD2 4.39Å; L470-L473 WeakPolarHBondContact O-CB 3.12Å; L470-L473 PolarHBondContact O-N 3.03Å; L470-L493 HydrophobicContact CB-CD2 4.06Å; L470-L493 WeakPolarHBondContact O-CD2 3.34Å
471	K	96.3	Very high	97.9	Very high	131 Å²	131	43.7 Å²	43.7	57%	0.57	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.8	-171.8	-63.7	-175.7	177.8	-173.3	0	114.6	Y469 L473 N495	Y469-K471 PolarHBondContact O-N 3Å; K471-L473 VanDerWaalsContact C-N 3.32Å; K471-N495 WeakPolarHBondContact O-CB 3.49Å; K471-N495 PolarHBondContact O-ND2 3.38Å
472	D	97.9	Very high	98	Very high	66 Å²	66	43.9 Å²	43.9	35%	0.353	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	0.5	177.8	-70.7	-4	0	0	0	112.8	L450 L470 Q474	L450-D472 CarbonylContact O-C 3.35Å; L450-D472 VanDerWaalsContact O-C 3.25Å; L470-D472 PolarHBondContact O-N 3.01Å; L470-D472 VanDerWaalsContact O-N 3.13Å; D472-Q474 PolarHBondContact O-N 2.83Å
473	L	98.6	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.			trans	-66.8	124.9	-177.5	-161	73.2	0	0	0	110.6	L450 L453 L470 K471 L476 L493 N495 L496	L450-L473 HydrophobicContact CB-CD1 4.38Å; L450-L473 HydrophobicContact CD2-CD1 4.11Å; L450-L473 HydrophobicContact CG-CD1 4.05Å; L450-L473 VanDerWaalsContact O-CA 3.24Å; L450-L473 WeakPolarHBondContact O-CA 3.43Å; L450-L473 PolarHBondContact O-N 3.02Å; L450-L473 VanDerWaalsContact O-N 3.13Å; L453-L473 HydrophobicContact CB-CD1 3.92Å; L470-L473 HydrophobicContact CB-CB 4.06Å; L470-L473 HydrophobicContact CD1-CD2 4.39Å; L470-L473 WeakPolarHBondContact O-CB 3.12Å; L470-L473 PolarHBondContact O-N 3.03Å; K471-L473 VanDerWaalsContact C-N 3.32Å; L473-L476 HydrophobicContact CD2-CB 3.94Å; L473-L476 HydrophobicContact CD2-CD1 4.32Å; L473-L476 HydrophobicContact CD2-CD2 4.29Å; L473-L476 HydrophobicContact CD2-CG 4.42Å; L473-L493 HydrophobicContact CB-CD2 4.37Å; L473-L493 HydrophobicContact CD2-CD1 4.07Å; L473-N495 CarbonylContact O-C 3.3Å; L473-N495 VanDerWaalsContact O-C 3.22Å; L473-L496 HydrophobicContact CD2-CD1 4.16Å; L473-L496 HydrophobicContact CG-CD1 4.14Å; L473-L496 WeakPolarHBondContact O-CA 3.16Å; L473-L496 PolarHBondContact O-N 2.82Å; L473-L496 VanDerWaalsContact O-N 3.15Å
474	Q	98.7	Very high	98	Very high	85 Å²	85	44 Å²	44	40%	0.397	22%	0.215	S	C	.	.			trans	-108.6	-32.9	-178.4	-68	173.8	0.3	0	0	111.7	R451 D472 T497 H498	R451-Q474 WeakPolarHBondContact O-CA 3.39Å; R451-Q474 PolarHBondContact O-N 3Å; D472-Q474 PolarHBondContact O-N 2.83Å; Q474-T497 PolarHBondContact O-N 3.23Å; Q474-T497 PolarHBondContact O-OG1 3.25Å; Q474-H498 PolarHBondContact O-N 3.04Å; Q474-H498 VanDerWaalsContact O-N 3.1Å
475	K	98.8	Very high	98	Very high	72 Å²	72	45.6 Å²	45.6	31%	0.313	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	122.5	-177.2	-177.6	173.2	171.7	-154.6	0	110.5	R451 E452 L453 V477 H498	R451-K475 PolarHBondContact O-N 2.8Å; E452-K475 WeakPolarHBondContact CA-O 3.28Å; E452-K475 HydrophobicContact CB-CB 4.45Å; E452-K475 HydrophobicContact CG-CB 4.24Å; E452-K475 HydrophobicContact CG-CD 4.11Å; E452-K475 HydrophobicContact CG-CG 4.32Å; E452-K475 WeakPolarHBondContact OE1-CD 3.44Å; E452-K475 WeakPolarHBondContact OE1-CE 3.42Å; E452-K475 IonicContact OE1-NZ 3.24Å; E452-K475 PolarHBondContact OE1-NZ 3.24Å; L453-K475 PolarHBondContact N-O 2.97Å; K475-V477 HydrophobicContact CD-CG2 4.42Å; K475-V477 HydrophobicContact CG-CG2 4.04Å; K475-H498 HydrophobicContact CB-CB 4.45Å; K475-H498 HydrophobicContact CG-CB 4.12Å
476	L	98.8	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	113.4	175.2	179.2	56.3	0	0	0	109.2	L453 L473 L478 I490 L493 L496 H498 L499 G500	L453-L476 HydrophobicContact CB-CD1 4.06Å; L453-L476 HydrophobicContact CD2-CD1 3.94Å; L453-L476 HydrophobicContact CG-CD1 4.02Å; L453-L476 WeakPolarHBondContact O-CA 3.15Å; L473-L476 HydrophobicContact CD2-CB 3.94Å; L473-L476 HydrophobicContact CD2-CD1 4.32Å; L473-L476 HydrophobicContact CD2-CD2 4.29Å; L473-L476 HydrophobicContact CD2-CG 4.42Å; L476-L478 HydrophobicContact CD1-CD1 4.12Å; L476-L478 HydrophobicContact CD1-CD2 4.37Å; L476-L478 HydrophobicContact CD1-CG 4.06Å; L476-L478 HydrophobicContact CD2-CD1 3.89Å; L476-L478 HydrophobicContact CG-CD1 3.8Å; L476-L478 HydrophobicContact CG-CG 4.09Å; L476-I490 HydrophobicContact CD2-CD1 3.92Å; L476-L493 HydrophobicContact CD2-CD1 4.33Å; L476-L496 HydrophobicContact CB-CD1 3.84Å; L476-H498 PolarHBondContact N-O 3.2Å; L476-L499 HydrophobicContact CB-CD1 4.12Å; L476-L499 HydrophobicContact CD2-CD1 3.97Å; L476-L499 HydrophobicContact CG-CD1 4.07Å; L476-L499 WeakPolarHBondContact O-CA 3.27Å; L476-G500 PolarHBondContact O-N 2.92Å
477	V	98.8	Very high	98	Very high	10 Å²	10	39 Å²	39	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.3	179.7	-168.9	0	0	0	0	109.2	L453 D454 L455 E456 K475	L453-V477 PolarHBondContact O-N 2.82Å; D454-V477 HydrophobicContact CB-CB 4.49Å; L455-V477 CarbonylContact C-O 3.04Å; L455-V477 WeakPolarHBondContact CA-O 3.21Å; L455-V477 WeakPolarHBondContact CB-O 3.31Å; L455-V477 PolarHBondContact N-O 3.28Å; E456-V477 HydrophobicContact CB-CG1 3.96Å; K475-V477 HydrophobicContact CD-CG2 4.42Å; K475-V477 HydrophobicContact CG-CG2 4.04Å
478	L	98.7	Very high	98	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.225	C	C	.	.			trans	-128.7	14.9	-179.1	-64.6	159.5	0	0	0	111.8	L455 L460 L463 L476 N481 L483 G500 L501 N504	L455-L478 HydrophobicContact CB-CD2 3.89Å; L455-L478 HydrophobicContact CD1-CD2 3.71Å; L455-L478 HydrophobicContact CG-CD2 4.47Å; L460-L478 HydrophobicContact CD1-CD2 4.01Å; L463-L478 HydrophobicContact CD1-CD1 3.72Å; L463-L478 HydrophobicContact CD2-CD1 4.48Å; L463-L478 HydrophobicContact CD2-CD2 3.82Å; L476-L478 HydrophobicContact CD1-CD1 4.12Å; L476-L478 HydrophobicContact CD1-CD2 4.37Å; L476-L478 HydrophobicContact CD1-CG 4.06Å; L476-L478 HydrophobicContact CD2-CD1 3.89Å; L476-L478 HydrophobicContact CG-CD1 3.8Å; L476-L478 HydrophobicContact CG-CG 4.09Å; L478-N481 PolarHBondContact O-ND2 3.38Å; L478-L483 HydrophobicContact CB-CD1 3.94Å; L478-L483 HydrophobicContact CD1-CD1 4.03Å; L478-L483 HydrophobicContact CD2-CD1 4.28Å; L478-L483 HydrophobicContact CG-CD1 4.32Å; L478-G500 CarbonylContact C-O 3.56Å; L478-G500 WeakPolarHBondContact CA-O 3.46Å; L478-G500 VanDerWaalsContact CB-O 3.31Å; L478-G500 WeakPolarHBondContact CB-O 3.4Å; L478-G500 PolarHBondContact N-O 3.01Å; L478-L501 HydrophobicContact CB-CD2 4.16Å; L478-L501 HydrophobicContact CD1-CD2 3.77Å; L478-N504 PolarHBondContact O-ND2 3.16Å
479	T	98.4	Very high	97.9	Very high	22 Å²	22	48.2 Å²	48.2	14%	0.135	23%	0.23	C	C	.	.			trans	-55.2	143.5	179.8	-51.5	0	0	0	0	111	E456 E457 N481 G502	E456-T479 CarbonylContact C-O 3.14Å; E456-T479 VanDerWaalsContact CA-O 3.26Å; E456-T479 WeakPolarHBondContact CA-O 3.4Å; E457-T479 PolarHBondContact N-O 2.62Å; T479-N481 PolarHBondContact O-ND2 3.12Å; T479-G502 CarbonylContact C-O 3.56Å; T479-G502 VanDerWaalsContact CA-O 3.26Å; T479-G502 WeakPolarHBondContact CA-O 3.31Å
480	N	98.5	Very high	97.9	Very high	64 Å²	64	42.2 Å²	42.2	34%	0.342	21%	0.206	S	C	.	.	S	Bend	trans	57.8	66.2	178.2	-163.2	-3.2	0	0	0	112.7	E457 N458 G502 E503	E457-N480 VanDerWaalsContact CA-O 3.31Å; E457-N480 WeakPolarHBondContact CA-O 3.18Å; E457-N480 HydrophobicContact CG-CB 4.1Å; E457-N480 PolarHBondContact N-O 3.44Å; N458-N480 PolarHBondContact N-O 3.09Å; N458-N480 VanDerWaalsContact N-O 3.17Å; N480-G502 PolarHBondContact N-O 2.94Å; N480-E503 WeakPolarHBondContact CA-O 3.26Å; N480-E503 HydrophobicContact CB-CB 4.15Å; N480-E503 PolarHBondContact N-O 2.95Å
481	N	98.8	Very high	97.8	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.053	21%	0.207	C	C	.	.	S	Bend	trans	-137.4	-170	177.2	-87.5	-78.8	0	0	0	110.4	L455 N458 K459 L460 L478 T479 L483 E503 N504	L455-N481 PolarHBondContact O-ND2 3.4Å; N458-N481 WeakPolarHBondContact CA-OD1 3.17Å; N458-N481 WeakPolarHBondContact CB-OD1 3.42Å; N458-N481 PolarHBondContact O-OD1 3.21Å; K459-N481 PolarHBondContact N-OD1 3.15Å; L460-N481 HydrophobicContact CB-CB 4.32Å; L460-N481 VanDerWaalsContact CB-OD1 3.26Å; L460-N481 WeakPolarHBondContact CB-OD1 3.48Å; L460-N481 WeakPolarHBondContact CG-OD1 3.33Å; L460-N481 PolarHBondContact N-OD1 3.01Å; L478-N481 PolarHBondContact O-ND2 3.38Å; T479-N481 PolarHBondContact O-ND2 3.12Å; N481-L483 HydrophobicContact CB-CG 4.27Å; N481-E503 PolarHBondContact N-O 3.05Å; N481-E503 VanDerWaalsContact N-O 3.15Å; N481-N504 WeakPolarHBondContact CA-OD1 3.42Å; N481-N504 WeakPolarHBondContact CB-OD1 3.32Å; N481-N504 PolarHBondContact O-OD1 3.48Å
482	Q	98.4	Very high	97.8	Very high	87 Å²	87	41.5 Å²	41.5	41%	0.407	21%	0.205	S	C	.	.			trans	-116.2	28.5	-177.8	-60.6	175.3	28	0	0	111.6	L460 T484 N504	L460-Q482 CarbonylContact O-C 3.04Å; L460-Q482 VanDerWaalsContact O-CA 3.24Å; L460-Q482 WeakPolarHBondContact O-CA 3.21Å; L460-Q482 WeakPolarHBondContact O-CB 3.34Å; L460-Q482 PolarHBondContact O-N 3.23Å; Q482-T484 PolarHBondContact O-N 2.95Å; Q482-N504 PolarHBondContact N-OD1 2.85Å
483	L	98.4	Very high	97.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.			trans	-69.8	129.8	-175.8	-61.5	173.5	0	0	0	110.4	L460 L463 L478 N481 L486 L501 N504 L505 L506	L460-L483 HydrophobicContact CB-CD2 4.08Å; L460-L483 PolarHBondContact O-N 3.11Å; L463-L483 HydrophobicContact CG-CD2 4.39Å; L478-L483 HydrophobicContact CB-CD1 3.94Å; L478-L483 HydrophobicContact CD1-CD1 4.03Å; L478-L483 HydrophobicContact CD2-CD1 4.28Å; L478-L483 HydrophobicContact CG-CD1 4.32Å; N481-L483 HydrophobicContact CB-CG 4.27Å; L483-L486 HydrophobicContact CD1-CD2 4.33Å; L483-L501 HydrophobicContact CD1-CD2 4.39Å; L483-N504 HydrophobicContact CB-CB 4.47Å; L483-N504 VanDerWaalsContact CB-OD1 3.26Å; L483-N504 WeakPolarHBondContact CB-OD1 3.16Å; L483-N504 WeakPolarHBondContact CG-OD1 3.46Å; L483-N504 PolarHBondContact N-OD1 2.62Å; L483-L505 CarbonylContact O-C 3.46Å; L483-L505 VanDerWaalsContact O-CA 3.28Å; L483-L505 WeakPolarHBondContact O-CA 3.37Å; L483-L505 PolarHBondContact O-N 3.2Å; L483-L506 HydrophobicContact CB-CD2 4.07Å; L483-L506 PolarHBondContact O-N 3.17Å; L483-L506 VanDerWaalsContact O-N 3.11Å
484	T	97.6	Very high	97.6	Very high	65 Å²	65	41.5 Å²	41.5	40%	0.399	21%	0.207	S	C	.	.	S	Bend	trans	-99.6	-26.1	176.5	54.7	0	0	0	0	113.2	Q482 L505 L506 T507	Q482-T484 PolarHBondContact O-N 2.95Å; T484-L505 HydrophobicContact CG2-CB 4.32Å; T484-L506 WeakPolarHBondContact O-CA 3.36Å; T484-T507 PolarHBondContact O-N 3.11Å; T484-T507 PolarHBondContact O-OG1 3.02Å; T484-T507 VanDerWaalsContact O-OG1 3.05Å
485	T	97	Very high	97.5	Very high	50 Å²	50	40.5 Å²	40.5	31%	0.307	21%	0.205	S	C	.	.			trans	-152.5	164.5	-179.9	60	0	0	0	0	109.8	H508	T485-H508 WeakPolarHBondContact CG2-CE1 3.41Å
486	L	97.8	Very high	97.5	Very high	9 Å²	9	37 Å²	37	5%	0.047	19%	0.19	C	C	.	.			trans	-109.3	147	167.1	-66	176.6	0	0	0	110.3	L463 L483 L501 L506 L509 P510	L463-L486 HydrophobicContact CD1-CD2 3.87Å; L483-L486 HydrophobicContact CD1-CD2 4.33Å; L486-L501 HydrophobicContact CD1-CD1 3.59Å; L486-L501 HydrophobicContact CD1-CD2 3.96Å; L486-L501 HydrophobicContact CD1-CG 4.44Å; L486-L501 HydrophobicContact CD2-CD2 3.84Å; L486-L501 HydrophobicContact CG-CD2 4.34Å; L486-L506 HydrophobicContact CG-CD2 4.44Å; L486-L509 HydrophobicContact CD1-CD2 4.05Å; L486-P510 HydrophobicContact CB-CG 4.19Å
487	P	96.9	Very high	97.5	Very high	14 Å²	14	39.2 Å²	39.2	9%	0.091	20%	0.203	C	C	.	.			trans	-66	143.1	173.3	28.6	-34.1	0	0	0	110.3	L463 N465 I467 G489 I490	L463-P487 HydrophobicContact CB-CG 4.1Å; N465-P487 WeakPolarHBondContact OD1-CB 3.47Å; I467-P487 HydrophobicContact CG2-CG 3.89Å; P487-G489 PolarHBondContact O-N 3.35Å; P487-G489 VanDerWaalsContact O-N 3.07Å; P487-I490 WeakPolarHBondContact O-CB 3.39Å; P487-I490 WeakPolarHBondContact O-CG2 3.31Å; P487-I490 PolarHBondContact O-N 3.49Å
488	R	96.2	Very high	97.5	Very high	187 Å²	187	40.2 Å²	40.2	71%	0.706	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-53.2	-31.8	176.1	-68.5	-176.7	179.3	-171.2	-1.1	113.1	I490 G491 P510 E512	R488-I490 PolarHBondContact O-N 3.43Å; R488-G491 PolarHBondContact O-N 3.15Å; R488-P510 HydrophobicContact CG-CB 4.49Å; R488-E512 HydrophobicContact CB-CG 4.39Å; R488-E512 WeakPolarHBondContact CD-OE1 3.29Å; R488-E512 WeakPolarHBondContact CG-OE2 3.45Å; R488-E512 WeakPolarHBondContact O-CB 3.48Å
489	G	95.9	Very high	97.5	Very high	14 Å²	14	40.2 Å²	40.2	14%	0.144	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-60.7	-10.3	176.7	0	0	0	0	0	115.2	A468 P487 G491 H492	A468-G489 VanDerWaalsContact CB-O 3.23Å; A468-G489 WeakPolarHBondContact CB-O 3.33Å; P487-G489 PolarHBondContact O-N 3.35Å; P487-G489 VanDerWaalsContact O-N 3.07Å; G489-G491 PolarHBondContact O-N 3.01Å; G489-H492 WeakPolarHBondContact O-CB 3.32Å; G489-H492 PolarHBondContact O-N 3.17Å
490	I	96.7	Very high	97.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-54.8	-32.9	172.6	-161.8	75.1	0	0	0	112	L476 P487 R488 H492 L493 P510 I513 L516	L476-I490 HydrophobicContact CD2-CD1 3.92Å; P487-I490 WeakPolarHBondContact O-CB 3.39Å; P487-I490 WeakPolarHBondContact O-CG2 3.31Å; P487-I490 PolarHBondContact O-N 3.49Å; R488-I490 PolarHBondContact O-N 3.43Å; I490-H492 PolarHBondContact O-N 3.35Å; I490-H492 VanDerWaalsContact O-N 3.16Å; I490-L493 HydrophobicContact CD1-CD1 3.54Å; I490-L493 HydrophobicContact CG1-CD1 4.27Å; I490-L493 WeakPolarHBondContact O-CB 3.37Å; I490-L493 WeakPolarHBondContact O-CG 3.37Å; I490-L493 PolarHBondContact O-N 2.98Å; I490-L493 VanDerWaalsContact O-N 3.1Å; I490-P510 HydrophobicContact CG2-CG 3.62Å; I490-I513 HydrophobicContact CG2-CD1 4.5Å; I490-L516 WeakPolarHBondContact O-CD2 3.48Å
491	G	95.9	Very high	97.5	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-63.1	-19.6	177.7	0	0	0	0	0	114.5	R488 G489 L493 E512 T515	R488-G491 PolarHBondContact O-N 3.15Å; G489-G491 PolarHBondContact O-N 3.01Å; G491-L493 PolarHBondContact O-N 3.33Å; G491-E512 WeakPolarHBondContact CA-O 3.45Å; G491-T515 VanDerWaalsContact C-OG1 3.25Å; G491-T515 WeakPolarHBondContact CA-OG1 3.28Å; G491-T515 PolarHBondContact O-OG1 3.15Å
492	H	96.6	Very high	97.4	Very high	114 Å²	114	35.7 Å²	35.7	53%	0.528	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-73.3	-9.5	176.3	-63.5	172.3	0	0	0	113.6	A468 G489 I490 T494	A468-H492 HydrophobicContact CB-CB 4.19Å; A468-H492 WeakPolarHBondContact O-CB 3.24Å; G489-H492 WeakPolarHBondContact O-CB 3.32Å; G489-H492 PolarHBondContact O-N 3.17Å; I490-H492 PolarHBondContact O-N 3.35Å; I490-H492 VanDerWaalsContact O-N 3.16Å; H492-T494 PolarHBondContact O-N 3.41Å
493	L	97.4	Very high	97.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.			trans	-81.1	55.9	179.3	-55.9	-178.6	0	0	0	111.4	I467 L470 L473 L476 I490 G491 N495 L496 L516	I467-L493 WeakPolarHBondContact O-CD2 3.35Å; L470-L493 HydrophobicContact CB-CD2 4.06Å; L470-L493 WeakPolarHBondContact O-CD2 3.34Å; L473-L493 HydrophobicContact CB-CD2 4.37Å; L473-L493 HydrophobicContact CD2-CD1 4.07Å; L476-L493 HydrophobicContact CD2-CD1 4.33Å; I490-L493 HydrophobicContact CD1-CD1 3.54Å; I490-L493 HydrophobicContact CG1-CD1 4.27Å; I490-L493 WeakPolarHBondContact O-CB 3.37Å; I490-L493 WeakPolarHBondContact O-CG 3.37Å; I490-L493 PolarHBondContact O-N 2.98Å; I490-L493 VanDerWaalsContact O-N 3.1Å; G491-L493 PolarHBondContact O-N 3.33Å; L493-N495 PolarHBondContact O-N 3.05Å; L493-L496 HydrophobicContact CB-CB 4.07Å; L493-L496 HydrophobicContact CD1-CD2 4.4Å; L493-L496 WeakPolarHBondContact O-CB 3.45Å; L493-L496 PolarHBondContact O-N 3.13Å; L493-L516 HydrophobicContact CB-CD2 4.11Å; L493-L516 WeakPolarHBondContact O-CD2 3.4Å
494	T	94.9	Very high	97.4	Very high	66 Å²	66	36 Å²	36	41%	0.405	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.1	-170.2	57.1	0	0	0	0	114.5	H492 N518	H492-T494 PolarHBondContact O-N 3.41Å; T494-N518 WeakPolarHBondContact O-CB 3.26Å; T494-N518 PolarHBondContact O-ND2 3.07Å
495	N	97.5	Very high	97.5	Very high	64 Å²	64	36.2 Å²	36.2	34%	0.342	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.2	174.8	-70.8	-32	0	0	0	113.7	K471 L473 L493 T497	K471-N495 WeakPolarHBondContact O-CB 3.49Å; K471-N495 PolarHBondContact O-ND2 3.38Å; L473-N495 CarbonylContact O-C 3.3Å; L473-N495 VanDerWaalsContact O-C 3.22Å; L493-N495 PolarHBondContact O-N 3.05Å; N495-T497 PolarHBondContact O-N 3.18Å
496	L	98.4	Very high	97.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.			trans	-68.6	125.3	-177.2	-162.3	74	0	0	0	110.3	L473 L476 L493 L499 L516 N518 L519	L473-L496 HydrophobicContact CD2-CD1 4.16Å; L473-L496 HydrophobicContact CG-CD1 4.14Å; L473-L496 WeakPolarHBondContact O-CA 3.16Å; L473-L496 PolarHBondContact O-N 2.82Å; L473-L496 VanDerWaalsContact O-N 3.15Å; L476-L496 HydrophobicContact CB-CD1 3.84Å; L493-L496 HydrophobicContact CB-CB 4.07Å; L493-L496 HydrophobicContact CD1-CD2 4.4Å; L493-L496 WeakPolarHBondContact O-CB 3.45Å; L493-L496 PolarHBondContact O-N 3.13Å; L496-L499 HydrophobicContact CD2-CB 3.93Å; L496-L499 HydrophobicContact CD2-CD1 4.22Å; L496-L499 HydrophobicContact CD2-CD2 4.17Å; L496-L499 HydrophobicContact CD2-CG 4.33Å; L496-L516 HydrophobicContact CB-CD2 4.48Å; L496-L516 HydrophobicContact CD2-CD1 4.16Å; L496-N518 CarbonylContact O-C 3.24Å; L496-L519 HydrophobicContact CD2-CD1 4.4Å; L496-L519 HydrophobicContact CG-CD1 4.47Å; L496-L519 VanDerWaalsContact O-CA 3.25Å; L496-L519 WeakPolarHBondContact O-CA 3.26Å; L496-L519 PolarHBondContact O-N 3.15Å; L496-L519 VanDerWaalsContact O-N 3.14Å
497	T	98.5	Very high	97.4	Very high	45 Å²	45	36.3 Å²	36.3	28%	0.276	18%	0.183	S	C	.	.			trans	-108.8	-33	179.7	59.8	0	0	0	0	111.7	Q474 N495 N518 E520 E521	Q474-T497 PolarHBondContact O-N 3.23Å; Q474-T497 PolarHBondContact O-OG1 3.25Å; N495-T497 PolarHBondContact O-N 3.18Å; T497-N518 WeakPolarHBondContact CA-O 3.37Å; T497-E520 PolarHBondContact O-N 3.2Å; T497-E521 PolarHBondContact O-N 2.84Å
498	H	98.8	Very high	97.4	Very high	31 Å²	31	39.9 Å²	39.9	14%	0.144	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.8	-179	174.6	99	0	0	0	110.5	Q474 K475 L476 E521 Y523	Q474-H498 PolarHBondContact O-N 3.04Å; Q474-H498 VanDerWaalsContact O-N 3.1Å; K475-H498 HydrophobicContact CB-CB 4.45Å; K475-H498 HydrophobicContact CG-CB 4.12Å; L476-H498 PolarHBondContact N-O 3.2Å; H498-E521 IonicContact CE1-OE2 3.83Å; H498-E521 IonicContact CG-OE2 3.64Å; H498-E521 IonicContact ND1-OE2 3.86Å; H498-E521 PolarHBondContact ND1-OE2 3.36Å; H498-Y523 AromaticContact CE1-CD2 3.74Å; H498-Y523 AromaticContact CE1-CE2 3.38Å; H498-Y523 WeakPolarHBondContact CE1-CE2 3.23Å; H498-Y523 AromaticContact ND1-CE2 3.69Å
499	L	98.6	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	106	174.7	-178.4	52.7	0	0	0	110.6	L476 L496 L501 I513 L516 L519 E521 L522 Y523	L476-L499 HydrophobicContact CB-CD1 4.12Å; L476-L499 HydrophobicContact CD2-CD1 3.97Å; L476-L499 HydrophobicContact CG-CD1 4.07Å; L476-L499 WeakPolarHBondContact O-CA 3.27Å; L496-L499 HydrophobicContact CD2-CB 3.93Å; L496-L499 HydrophobicContact CD2-CD1 4.22Å; L496-L499 HydrophobicContact CD2-CD2 4.17Å; L496-L499 HydrophobicContact CD2-CG 4.33Å; L499-L501 HydrophobicContact CD1-CD1 4.2Å; L499-L501 HydrophobicContact CD1-CD2 4.22Å; L499-L501 HydrophobicContact CD1-CG 3.96Å; L499-L501 HydrophobicContact CD2-CD1 3.87Å; L499-L501 HydrophobicContact CG-CD1 3.8Å; L499-L501 HydrophobicContact CG-CG 3.93Å; L499-I513 HydrophobicContact CD2-CD1 3.88Å; L499-L516 HydrophobicContact CD2-CD1 4.46Å; L499-L519 HydrophobicContact CB-CD1 3.82Å; L499-E521 PolarHBondContact N-O 3.23Å; L499-L522 HydrophobicContact CB-CD1 4.03Å; L499-L522 HydrophobicContact CD2-CD1 3.92Å; L499-L522 HydrophobicContact CG-CD1 3.94Å; L499-L522 WeakPolarHBondContact O-CA 3.28Å; L499-Y523 PolarHBondContact O-N 3.25Å
500	G	98.4	Very high	97.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.6	174.5	0	0	0	0	0	111.4	L476 L478	L476-G500 PolarHBondContact O-N 2.92Å; L478-G500 CarbonylContact C-O 3.56Å; L478-G500 WeakPolarHBondContact CA-O 3.46Å; L478-G500 VanDerWaalsContact CB-O 3.31Å; L478-G500 WeakPolarHBondContact CB-O 3.4Å; L478-G500 PolarHBondContact N-O 3.01Å
501	L	98.3	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.			trans	-131.6	15.8	179.5	-66.6	166.6	0	0	0	112.1	L478 L483 L486 L499 N504 L506 L509 L522 Y523 L524 N527	L478-L501 HydrophobicContact CB-CD2 4.16Å; L478-L501 HydrophobicContact CD1-CD2 3.77Å; L483-L501 HydrophobicContact CD1-CD2 4.39Å; L486-L501 HydrophobicContact CD1-CD1 3.59Å; L486-L501 HydrophobicContact CD1-CD2 3.96Å; L486-L501 HydrophobicContact CD1-CG 4.44Å; L486-L501 HydrophobicContact CD2-CD2 3.84Å; L486-L501 HydrophobicContact CG-CD2 4.34Å; L499-L501 HydrophobicContact CD1-CD1 4.2Å; L499-L501 HydrophobicContact CD1-CD2 4.22Å; L499-L501 HydrophobicContact CD1-CG 3.96Å; L499-L501 HydrophobicContact CD2-CD1 3.87Å; L499-L501 HydrophobicContact CG-CD1 3.8Å; L499-L501 HydrophobicContact CG-CG 3.93Å; L501-N504 PolarHBondContact O-ND2 3.44Å; L501-L506 HydrophobicContact CB-CD1 3.94Å; L501-L506 HydrophobicContact CD1-CD1 4.18Å; L501-L506 HydrophobicContact CD2-CD1 4.39Å; L501-L506 HydrophobicContact CG-CD1 4.42Å; L501-L509 HydrophobicContact CD1-CD2 4.09Å; L501-L522 HydrophobicContact CD1-CD1 4.21Å; L501-Y523 CarbonylContact C-O 3.14Å; L501-Y523 VanDerWaalsContact C-O 3.3Å; L501-Y523 VanDerWaalsContact CA-O 3.26Å; L501-Y523 WeakPolarHBondContact CA-O 3.43Å; L501-Y523 VanDerWaalsContact CB-O 3.32Å; L501-Y523 WeakPolarHBondContact CB-O 3.47Å; L501-Y523 PolarHBondContact N-O 2.98Å; L501-L524 HydrophobicContact CB-CD2 4.05Å; L501-L524 HydrophobicContact CD1-CD2 3.85Å; L501-N527 PolarHBondContact O-ND2 3.1Å
502	G	97.7	Very high	97.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.			trans	-63.2	159.3	-179.3	0	0	0	0	0	112.1	T479 N480 N504 Y523 N525	T479-G502 CarbonylContact C-O 3.56Å; T479-G502 VanDerWaalsContact CA-O 3.26Å; T479-G502 WeakPolarHBondContact CA-O 3.31Å; N480-G502 PolarHBondContact N-O 2.94Å; G502-N504 PolarHBondContact O-N 3.16Å; G502-N504 PolarHBondContact O-ND2 2.96Å; G502-Y523 PolarHBondContact N-O 3.37Å; G502-N525 CarbonylContact C-O 3.18Å; G502-N525 WeakPolarHBondContact CA-O 3.24Å
503	E	98.2	Very high	97.3	Very high	90 Å²	90	34.4 Å²	34.4	42%	0.421	18%	0.178	S	C	.	.	S	Bend	trans	51.9	55.5	174.9	-62.3	177.2	-122.4	0	0	112.4	N480 N481 N525 D526	N480-E503 WeakPolarHBondContact CA-O 3.26Å; N480-E503 HydrophobicContact CB-CB 4.15Å; N480-E503 PolarHBondContact N-O 2.95Å; N481-E503 PolarHBondContact N-O 3.05Å; N481-E503 VanDerWaalsContact N-O 3.15Å; E503-N525 PolarHBondContact N-O 2.73Å; E503-D526 WeakPolarHBondContact CA-O 3.29Å; E503-D526 HydrophobicContact CB-CB 4.37Å; E503-D526 HydrophobicContact CG-CB 3.71Å
504	N	98.6	Very high	97.1	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	18%	0.181	C	C	.	.	S	Bend	trans	-129.8	-172	178.9	-88.9	-83.5	0	0	0	110.4	L478 N481 Q482 L483 L501 G502 L506 D526 N527 P528	L478-N504 PolarHBondContact O-ND2 3.16Å; N481-N504 WeakPolarHBondContact CA-OD1 3.42Å; N481-N504 WeakPolarHBondContact CB-OD1 3.32Å; N481-N504 PolarHBondContact O-OD1 3.48Å; Q482-N504 PolarHBondContact N-OD1 2.85Å; L483-N504 HydrophobicContact CB-CB 4.47Å; L483-N504 VanDerWaalsContact CB-OD1 3.26Å; L483-N504 WeakPolarHBondContact CB-OD1 3.16Å; L483-N504 WeakPolarHBondContact CG-OD1 3.46Å; L483-N504 PolarHBondContact N-OD1 2.62Å; L501-N504 PolarHBondContact O-ND2 3.44Å; G502-N504 PolarHBondContact O-N 3.16Å; G502-N504 PolarHBondContact O-ND2 2.96Å; N504-L506 HydrophobicContact CB-CG 4.19Å; N504-D526 PolarHBondContact N-O 3.09Å; N504-N527 WeakPolarHBondContact CA-OD1 3.24Å; N504-N527 WeakPolarHBondContact CB-OD1 3.17Å; N504-N527 PolarHBondContact O-OD1 3.3Å; N504-P528 WeakPolarHBondContact O-CD 3.44Å
505	L	98.1	Very high	97.1	Very high	71 Å²	71	34.7 Å²	34.7	37%	0.372	18%	0.181	S	C	.	.			trans	-113.8	28.5	179.3	-60.4	175.5	0	0	0	111.7	L483 T484 T507	L483-L505 CarbonylContact O-C 3.46Å; L483-L505 VanDerWaalsContact O-CA 3.28Å; L483-L505 WeakPolarHBondContact O-CA 3.37Å; L483-L505 PolarHBondContact O-N 3.2Å; T484-L505 HydrophobicContact CG2-CB 4.32Å; L505-T507 PolarHBondContact O-N 3.08Å
506	L	98.1	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.			trans	-61.2	129.5	-171.9	-67.6	175	0	0	0	111.2	L483 T484 L486 L501 N504 L509 L524 N527 N529 L530	L483-L506 HydrophobicContact CB-CD2 4.07Å; L483-L506 PolarHBondContact O-N 3.17Å; L483-L506 VanDerWaalsContact O-N 3.11Å; T484-L506 WeakPolarHBondContact O-CA 3.36Å; L486-L506 HydrophobicContact CG-CD2 4.44Å; L501-L506 HydrophobicContact CB-CD1 3.94Å; L501-L506 HydrophobicContact CD1-CD1 4.18Å; L501-L506 HydrophobicContact CD2-CD1 4.39Å; L501-L506 HydrophobicContact CG-CD1 4.42Å; N504-L506 HydrophobicContact CB-CG 4.19Å; L506-L509 HydrophobicContact CD1-CD2 4.17Å; L506-L524 HydrophobicContact CD1-CD2 4.34Å; L506-N527 HydrophobicContact CB-CB 4.45Å; L506-N527 VanDerWaalsContact CB-OD1 3.28Å; L506-N527 WeakPolarHBondContact CB-OD1 3.28Å; L506-N527 WeakPolarHBondContact CG-OD1 3.28Å; L506-N527 PolarHBondContact N-OD1 3.23Å; L506-N529 CarbonylContact O-C 3.6Å; L506-L530 WeakPolarHBondContact O-CA 3.42Å; L506-L530 PolarHBondContact O-N 3.44Å; L506-L530 VanDerWaalsContact O-N 3.15Å
507	T	96.5	Very high	96.7	Very high	60 Å²	60	37.8 Å²	37.8	37%	0.368	19%	0.193	S	C	.	.			trans	-91.8	-34.1	176.3	55.9	0	0	0	0	112.1	T484 L505 N529	T484-T507 PolarHBondContact O-N 3.11Å; T484-T507 PolarHBondContact O-OG1 3.02Å; T484-T507 VanDerWaalsContact O-OG1 3.05Å; L505-T507 PolarHBondContact O-N 3.08Å; T507-N529 HydrophobicContact CG2-CB 4.16Å
508	H	95.5	Very high	96.6	Very high	90 Å²	90	37.7 Å²	37.7	42%	0.417	19%	0.191	S	C	.	.			trans	-159	162.7	178.5	61.7	-71.2	0	0	0	110.3	T485	T485-H508 WeakPolarHBondContact CG2-CE1 3.41Å
509	L	96.8	Very high	96.6	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.037	18%	0.184	C	C	.	.			trans	-101.2	146	165.7	-62.9	175.8	0	0	0	109.6	L486 L501 L506 L524 L533 P534	L486-L509 HydrophobicContact CD1-CD2 4.05Å; L501-L509 HydrophobicContact CD1-CD2 4.09Å; L506-L509 HydrophobicContact CD1-CD2 4.17Å; L509-L524 HydrophobicContact CD1-CD1 3.87Å; L509-L524 HydrophobicContact CD1-CD2 3.92Å; L509-L524 HydrophobicContact CD2-CD2 3.98Å; L509-L524 HydrophobicContact CG-CD2 4.39Å; L509-L533 HydrophobicContact CD1-CD2 3.81Å; L509-P534 HydrophobicContact CB-CG 4.04Å
510	P	96.4	Very high	96.5	Very high	10 Å²	10	40.5 Å²	40.5	7%	0.065	20%	0.204	C	C	.	.			trans	-66.9	148.5	173.7	28.1	-33.8	0	0	0	111.4	L486 R488 I490 E512 I513	L486-P510 HydrophobicContact CB-CG 4.19Å; R488-P510 HydrophobicContact CG-CB 4.49Å; I490-P510 HydrophobicContact CG2-CG 3.62Å; P510-E512 WeakPolarHBondContact CB-OE2 3.42Å; P510-E512 PolarHBondContact O-N 3.01Å; P510-I513 WeakPolarHBondContact O-CB 3.36Å; P510-I513 VanDerWaalsContact O-CG2 3.27Å; P510-I513 WeakPolarHBondContact O-CG2 3.48Å; P510-I513 PolarHBondContact O-N 2.88Å; P510-I513 VanDerWaalsContact O-N 3.14Å
511	E	95.1	Very high	96.5	Very high	125 Å²	125	43 Å²	43	58%	0.584	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-60.4	-31.3	177.1	-65.7	177.6	179.7	0	0	111.3	I513 G514 P534 E536	E511-I513 PolarHBondContact O-N 3.04Å; E511-G514 PolarHBondContact O-N 3.1Å; E511-G514 VanDerWaalsContact O-N 3.16Å; E511-P534 HydrophobicContact CG-CB 4.4Å; E511-E536 HydrophobicContact CB-CG 4.04Å; E511-E536 WeakPolarHBondContact O-CB 3.26Å; E511-E536 WeakPolarHBondContact O-CG 3.29Å
512	E	96.6	Very high	96.5	Very high	60 Å²	60	43 Å²	43	28%	0.28	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-61	-12.2	178	-64.4	84.9	171.3	0	0	113.7	R488 G491 P510 G514 T515	R488-E512 HydrophobicContact CB-CG 4.39Å; R488-E512 WeakPolarHBondContact CD-OE1 3.29Å; R488-E512 WeakPolarHBondContact CG-OE2 3.45Å; R488-E512 WeakPolarHBondContact O-CB 3.48Å; G491-E512 WeakPolarHBondContact CA-O 3.45Å; P510-E512 WeakPolarHBondContact CB-OE2 3.42Å; P510-E512 PolarHBondContact O-N 3.01Å; E512-G514 PolarHBondContact O-N 2.85Å; E512-G514 VanDerWaalsContact O-N 3.15Å; E512-T515 WeakPolarHBondContact O-CB 3.36Å; E512-T515 PolarHBondContact O-N 3.15Å; E512-T515 PolarHBondContact O-OG1 3.11Å
513	I	95.7	Very high	96.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-54.8	-31.1	172.2	-159.8	75.6	0	0	0	112.3	I490 L499 P510 E511 T515 L516 P534 L537 C540	I490-I513 HydrophobicContact CG2-CD1 4.5Å; L499-I513 HydrophobicContact CD2-CD1 3.88Å; P510-I513 WeakPolarHBondContact O-CB 3.36Å; P510-I513 VanDerWaalsContact O-CG2 3.27Å; P510-I513 WeakPolarHBondContact O-CG2 3.48Å; P510-I513 PolarHBondContact O-N 2.88Å; P510-I513 VanDerWaalsContact O-N 3.14Å; E511-I513 PolarHBondContact O-N 3.04Å; I513-T515 PolarHBondContact O-N 3.18Å; I513-T515 VanDerWaalsContact O-N 3.14Å; I513-L516 HydrophobicContact CD1-CD1 3.49Å; I513-L516 VanDerWaalsContact CD1-CD1 3.49Å; I513-L516 HydrophobicContact CG1-CD1 4.17Å; I513-L516 WeakPolarHBondContact O-CB 3.32Å; I513-L516 WeakPolarHBondContact O-CG 3.39Å; I513-L516 PolarHBondContact O-N 3.01Å; I513-L516 VanDerWaalsContact O-N 3.11Å; I513-P534 HydrophobicContact CG2-CG 3.72Å; I513-L537 HydrophobicContact CG1-CD1 4.25Å; I513-L537 HydrophobicContact CG2-CB 4.33Å; I513-L537 HydrophobicContact CG2-CD1 4.17Å; I513-C540 PolarHBondContact O-SG 3.36Å
514	G	93.1	Very high	96.5	Very high	6 Å²	6	41.9 Å²	41.9	6%	0.062	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-66	-13.7	178.9	0	0	0	0	0	114.9	E511 E512 L516 E536 L539	E511-G514 PolarHBondContact O-N 3.1Å; E511-G514 VanDerWaalsContact O-N 3.16Å; E512-G514 PolarHBondContact O-N 2.85Å; E512-G514 VanDerWaalsContact O-N 3.15Å; G514-L516 VanDerWaalsContact C-N 3.27Å; G514-E536 WeakPolarHBondContact CA-O 3.42Å; G514-L539 WeakPolarHBondContact O-CB 3.42Å
515	T	95.1	Very high	96.4	Very high	65 Å²	65	43 Å²	43	40%	0.399	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-81.2	-7.6	175.9	64.4	0	0	0	0	113.1	G491 E512 I513 E517	G491-T515 VanDerWaalsContact C-OG1 3.25Å; G491-T515 WeakPolarHBondContact CA-OG1 3.28Å; G491-T515 PolarHBondContact O-OG1 3.15Å; E512-T515 WeakPolarHBondContact O-CB 3.36Å; E512-T515 PolarHBondContact O-N 3.15Å; E512-T515 PolarHBondContact O-OG1 3.11Å; I513-T515 PolarHBondContact O-N 3.18Å; I513-T515 VanDerWaalsContact O-N 3.14Å; T515-E517 PolarHBondContact O-N 2.88Å
516	L	96.1	Very high	96.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.			trans	-78.4	71.5	176	-57.2	-178.1	0	0	0	110.9	I490 L493 L496 L499 I513 G514 N518 L519	I490-L516 WeakPolarHBondContact O-CD2 3.48Å; L493-L516 HydrophobicContact CB-CD2 4.11Å; L493-L516 WeakPolarHBondContact O-CD2 3.4Å; L496-L516 HydrophobicContact CB-CD2 4.48Å; L496-L516 HydrophobicContact CD2-CD1 4.16Å; L499-L516 HydrophobicContact CD2-CD1 4.46Å; I513-L516 HydrophobicContact CD1-CD1 3.49Å; I513-L516 VanDerWaalsContact CD1-CD1 3.49Å; I513-L516 HydrophobicContact CG1-CD1 4.17Å; I513-L516 WeakPolarHBondContact O-CB 3.32Å; I513-L516 WeakPolarHBondContact O-CG 3.39Å; I513-L516 PolarHBondContact O-N 3.01Å; I513-L516 VanDerWaalsContact O-N 3.11Å; G514-L516 VanDerWaalsContact C-N 3.27Å; L516-N518 PolarHBondContact O-N 3.02Å; L516-L519 HydrophobicContact CB-CB 3.91Å; L516-L519 HydrophobicContact CB-CD2 4.45Å; L516-L519 HydrophobicContact CD1-CD2 4.2Å; L516-L519 WeakPolarHBondContact O-CB 3.18Å; L516-L519 PolarHBondContact O-N 2.87Å; L516-L519 VanDerWaalsContact O-N 3.14Å
517	E	90.4	Very high	96.3	Very high	129 Å²	129	42.2 Å²	42.2	60%	0.603	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.8	-176	-65.4	-179.6	-178.1	0	0	113.6	T515 K542	T515-E517 PolarHBondContact O-N 2.88Å; E517-K542 WeakPolarHBondContact O-CG 3.48Å
518	N	96.5	Very high	96.3	Very high	44 Å²	44	42.7 Å²	42.7	24%	0.235	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.3	179.2	-68.5	-53.5	0	0	0	114.2	T494 L496 T497 L516 E520 K542	T494-N518 WeakPolarHBondContact O-CB 3.26Å; T494-N518 PolarHBondContact O-ND2 3.07Å; L496-N518 CarbonylContact O-C 3.24Å; T497-N518 WeakPolarHBondContact CA-O 3.37Å; L516-N518 PolarHBondContact O-N 3.02Å; N518-E520 PolarHBondContact O-N 2.97Å; N518-K542 PolarHBondContact OD1-NZ 3.01Å
519	L	98	Very high	96.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.			trans	-68.4	121.2	-177.7	-170.2	68.2	0	0	0	110.5	L496 L499 L516 L522 K542 L543	L496-L519 HydrophobicContact CD2-CD1 4.4Å; L496-L519 HydrophobicContact CG-CD1 4.47Å; L496-L519 VanDerWaalsContact O-CA 3.25Å; L496-L519 WeakPolarHBondContact O-CA 3.26Å; L496-L519 PolarHBondContact O-N 3.15Å; L496-L519 VanDerWaalsContact O-N 3.14Å; L499-L519 HydrophobicContact CB-CD1 3.82Å; L516-L519 HydrophobicContact CB-CB 3.91Å; L516-L519 HydrophobicContact CB-CD2 4.45Å; L516-L519 HydrophobicContact CD1-CD2 4.2Å; L516-L519 WeakPolarHBondContact O-CB 3.18Å; L516-L519 PolarHBondContact O-N 2.87Å; L516-L519 VanDerWaalsContact O-N 3.14Å; L519-L522 HydrophobicContact CD2-CB 4.2Å; L519-L522 HydrophobicContact CD2-CD2 4.4Å; L519-K542 CarbonylContact O-C 3.39Å; L519-L543 HydrophobicContact CD2-CD1 4.3Å; L519-L543 HydrophobicContact CG-CD1 4.23Å; L519-L543 WeakPolarHBondContact O-CA 3.45Å; L519-L543 PolarHBondContact O-N 3.5Å
520	E	97.8	Very high	96.4	Very high	89 Å²	89	41.3 Å²	41.3	42%	0.416	21%	0.21	S	C	.	.			trans	-106.2	-36.6	-179	-65.8	-179.1	-176.8	0	0	111.4	T497 N518 K542 S544 I545	T497-E520 PolarHBondContact O-N 3.2Å; N518-E520 PolarHBondContact O-N 2.97Å; E520-K542 HydrophobicContact CG-CB 4.35Å; E520-S544 PolarHBondContact O-N 3.31Å; E520-S544 PolarHBondContact O-OG 2.91Å; E520-I545 PolarHBondContact O-N 3.26Å
521	E	98.4	Very high	96.3	Very high	55 Å²	55	44.3 Å²	44.3	26%	0.257	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.6	-176.3	-49.2	-172.4	172.1	0	0	112	T497 H498 L499 Y523 I545	T497-E521 PolarHBondContact O-N 2.84Å; H498-E521 IonicContact CE1-OE2 3.83Å; H498-E521 IonicContact CG-OE2 3.64Å; H498-E521 IonicContact ND1-OE2 3.86Å; H498-E521 PolarHBondContact ND1-OE2 3.36Å; L499-E521 PolarHBondContact N-O 3.23Å; E521-Y523 HydrophobicContact CB-CE2 3.79Å; E521-Y523 WeakPolarHBondContact OE2-CE2 3.35Å; E521-Y523 PolarHBondContact OE2-OH 3.2Å; E521-I545 WeakPolarHBondContact CA-O 3.45Å; E521-I545 HydrophobicContact CB-CB 4.32Å; E521-I545 HydrophobicContact CG-CB 4.15Å; E521-I545 HydrophobicContact CG-CD1 4.09Å
522	L	98.1	Very high	96.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	110.8	176.6	179.3	58.3	0	0	0	111.2	L499 L501 L519 L524 L537 L543 I545 M546 S547	L499-L522 HydrophobicContact CB-CD1 4.03Å; L499-L522 HydrophobicContact CD2-CD1 3.92Å; L499-L522 HydrophobicContact CG-CD1 3.94Å; L499-L522 WeakPolarHBondContact O-CA 3.28Å; L501-L522 HydrophobicContact CD1-CD1 4.21Å; L519-L522 HydrophobicContact CD2-CB 4.2Å; L519-L522 HydrophobicContact CD2-CD2 4.4Å; L522-L524 HydrophobicContact CD1-CD2 4.22Å; L522-L524 HydrophobicContact CD1-CG 4.2Å; L522-L524 HydrophobicContact CD2-CD1 3.96Å; L522-L524 HydrophobicContact CD2-CG 4.38Å; L522-L524 HydrophobicContact CG-CD1 4.09Å; L522-L524 HydrophobicContact CG-CG 3.99Å; L522-L537 HydrophobicContact CD2-CD1 3.66Å; L522-L537 HydrophobicContact CD2-CD2 4.38Å; L522-L543 HydrophobicContact CB-CD1 3.71Å; L522-I545 PolarHBondContact N-O 2.9Å; L522-M546 CarbonylContact O-C 3.11Å; L522-M546 WeakPolarHBondContact O-CA 3.49Å; L522-S547 PolarHBondContact O-N 3.26Å
523	Y	98.1	Very high	96.1	Very high	65 Å²	65	38 Å²	38	26%	0.255	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	116.3	178	-59.1	-91.4	0	0	0	110.4	H498 L499 L501 G502 E521 I545	H498-Y523 AromaticContact CE1-CD2 3.74Å; H498-Y523 AromaticContact CE1-CE2 3.38Å; H498-Y523 WeakPolarHBondContact CE1-CE2 3.23Å; H498-Y523 AromaticContact ND1-CE2 3.69Å; L499-Y523 PolarHBondContact O-N 3.25Å; L501-Y523 CarbonylContact C-O 3.14Å; L501-Y523 VanDerWaalsContact C-O 3.3Å; L501-Y523 VanDerWaalsContact CA-O 3.26Å; L501-Y523 WeakPolarHBondContact CA-O 3.43Å; L501-Y523 VanDerWaalsContact CB-O 3.32Å; L501-Y523 WeakPolarHBondContact CB-O 3.47Å; L501-Y523 PolarHBondContact N-O 2.98Å; G502-Y523 PolarHBondContact N-O 3.37Å; E521-Y523 HydrophobicContact CB-CE2 3.79Å; E521-Y523 WeakPolarHBondContact OE2-CE2 3.35Å; E521-Y523 PolarHBondContact OE2-OH 3.2Å; Y523-I545 HydrophobicContact CE1-CG2 4.17Å
524	L	97.2	Very high	96	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.			trans	-120.9	5.3	179.5	-63	165.2	0	0	0	112.8	L501 L506 L509 L522 N527 L530 L533 M546 S547 I548 C551	L501-L524 HydrophobicContact CB-CD2 4.05Å; L501-L524 HydrophobicContact CD1-CD2 3.85Å; L506-L524 HydrophobicContact CD1-CD2 4.34Å; L509-L524 HydrophobicContact CD1-CD1 3.87Å; L509-L524 HydrophobicContact CD1-CD2 3.92Å; L509-L524 HydrophobicContact CD2-CD2 3.98Å; L509-L524 HydrophobicContact CG-CD2 4.39Å; L522-L524 HydrophobicContact CD1-CD2 4.22Å; L522-L524 HydrophobicContact CD1-CG 4.2Å; L522-L524 HydrophobicContact CD2-CD1 3.96Å; L522-L524 HydrophobicContact CD2-CG 4.38Å; L522-L524 HydrophobicContact CG-CD1 4.09Å; L522-L524 HydrophobicContact CG-CG 3.99Å; L524-N527 PolarHBondContact O-ND2 3.13Å; L524-L530 HydrophobicContact CB-CD2 4.34Å; L524-L530 HydrophobicContact CD1-CD2 4.44Å; L524-L533 HydrophobicContact CD1-CD2 3.87Å; L524-M546 HydrophobicContact CD1-CE 3.74Å; L524-S547 CarbonylContact C-O 3.24Å; L524-S547 WeakPolarHBondContact CA-O 3.42Å; L524-S547 VanDerWaalsContact CB-O 3.31Å; L524-S547 WeakPolarHBondContact CB-O 3.5Å; L524-S547 PolarHBondContact N-O 3.4Å; L524-I548 HydrophobicContact CD1-CG2 4.48Å; L524-C551 PolarHBondContact O-SG 3.02Å
525	N	96.2	Very high	96	Very high	26 Å²	26	42.5 Å²	42.5	14%	0.139	22%	0.218	C	C	.	.			trans	-53.7	154	-176.4	54.9	-77	0	0	0	112.7	G502 E503 N527 S547 E549	G502-N525 CarbonylContact C-O 3.18Å; G502-N525 WeakPolarHBondContact CA-O 3.24Å; E503-N525 PolarHBondContact N-O 2.73Å; N525-N527 VanDerWaalsContact C-N 3.28Å; N525-N527 PolarHBondContact O-N 3.17Å; N525-N527 PolarHBondContact O-ND2 2.93Å; N525-S547 WeakPolarHBondContact CB-OG 3.27Å; N525-S547 PolarHBondContact N-O 3.26Å; N525-S547 PolarHBondContact OD1-OG 2.92Å; N525-E549 CarbonylContact C-O 3.57Å; N525-E549 WeakPolarHBondContact CA-O 3.36Å; N525-E549 HydrophobicContact CB-CB 4.2Å; N525-E549 WeakPolarHBondContact CB-O 3.25Å
526	D	97.3	Very high	95.9	Very high	55 Å²	55	40.2 Å²	40.2	29%	0.294	20%	0.203	S	C	.	.	S	Bend	trans	58.1	39.7	174.2	-55	-69.3	0	0	0	113.1	E503 N504 P528 E549 N550	E503-D526 WeakPolarHBondContact CA-O 3.29Å; E503-D526 HydrophobicContact CB-CB 4.37Å; E503-D526 HydrophobicContact CG-CB 3.71Å; N504-D526 PolarHBondContact N-O 3.09Å; D526-P528 WeakPolarHBondContact O-CD 3.36Å; D526-E549 PolarHBondContact N-O 2.82Å; D526-N550 WeakPolarHBondContact OD1-CB 3.47Å; D526-N550 PolarHBondContact OD1-ND2 3.28Å
527	N	97.8	Very high	95.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.			trans	-106.5	91.7	166.9	-80.4	-82.1	0	0	0	109.8	L501 N504 L506 L524 N525 N529 L530 P552	L501-N527 PolarHBondContact O-ND2 3.1Å; N504-N527 WeakPolarHBondContact CA-OD1 3.24Å; N504-N527 WeakPolarHBondContact CB-OD1 3.17Å; N504-N527 PolarHBondContact O-OD1 3.3Å; L506-N527 HydrophobicContact CB-CB 4.45Å; L506-N527 VanDerWaalsContact CB-OD1 3.28Å; L506-N527 WeakPolarHBondContact CB-OD1 3.28Å; L506-N527 WeakPolarHBondContact CG-OD1 3.28Å; L506-N527 PolarHBondContact N-OD1 3.23Å; L524-N527 PolarHBondContact O-ND2 3.13Å; N525-N527 VanDerWaalsContact C-N 3.28Å; N525-N527 PolarHBondContact O-N 3.17Å; N525-N527 PolarHBondContact O-ND2 2.93Å; N527-N529 PolarHBondContact O-N 3.13Å; N527-L530 HydrophobicContact CB-CB 3.87Å; N527-L530 HydrophobicContact CB-CD2 4.31Å; N527-L530 WeakPolarHBondContact O-CB 3.27Å; N527-L530 PolarHBondContact O-N 3.3Å; N527-P552 WeakPolarHBondContact O-CD 3.12Å
528	P	96.5	Very high	95.8	Very high	70 Å²	70	34.7 Å²	34.7	46%	0.455	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.2	-171	28.4	-36	0	0	0	113.8	N504 D526 P552	N504-P528 WeakPolarHBondContact O-CD 3.44Å; D526-P528 WeakPolarHBondContact O-CD 3.36Å; P528-P552 WeakPolarHBondContact O-CG 3.45Å
529	N	96.6	Very high	95.6	Very high	68 Å²	68	36 Å²	36	36%	0.364	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	2	179.5	-60.4	-35.3	0	0	0	113	L506 T507 N527 H531	L506-N529 CarbonylContact O-C 3.6Å; T507-N529 HydrophobicContact CG2-CB 4.16Å; N527-N529 PolarHBondContact O-N 3.13Å; N529-H531 PolarHBondContact O-CD2 3.45Å; N529-H531 PolarHBondContact O-N 3.05Å
530	L	96.7	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.			trans	-87.3	93.3	-174	-171.8	62.2	0	0	0	110.8	L506 L524 N527 S532 L533 P552 L553	L506-L530 WeakPolarHBondContact O-CA 3.42Å; L506-L530 PolarHBondContact O-N 3.44Å; L506-L530 VanDerWaalsContact O-N 3.15Å; L524-L530 HydrophobicContact CB-CD2 4.34Å; L524-L530 HydrophobicContact CD1-CD2 4.44Å; N527-L530 HydrophobicContact CB-CB 3.87Å; N527-L530 HydrophobicContact CB-CD2 4.31Å; N527-L530 WeakPolarHBondContact O-CB 3.27Å; N527-L530 PolarHBondContact O-N 3.3Å; L530-S532 WeakPolarHBondContact CD1-O 3.39Å; L530-L533 HydrophobicContact CD2-CD2 4.07Å; L530-P552 WeakPolarHBondContact O-CD 3.16Å; L530-P552 WeakPolarHBondContact O-CG 3.26Å; L530-L553 HydrophobicContact CG-CD2 4.26Å; L530-L553 PolarHBondContact O-N 2.85Å
531	H	94.6	Very high	94.8	Very high	73 Å²	73	36.6 Å²	36.6	34%	0.338	20%	0.2	S	C	.	.			trans	-92	-18.8	-176.1	-67.3	-79.2	0	0	0	114.4	N529 L553 S554 H555	N529-H531 PolarHBondContact O-CD2 3.45Å; N529-H531 PolarHBondContact O-N 3.05Å; H531-L553 CarbonylContact O-C 3.19Å; H531-L553 WeakPolarHBondContact O-CA 3.26Å; H531-S554 PolarHBondContact ND1-OG 2.89Å; H531-S554 PolarHBondContact O-N 3.17Å; H531-H555 WeakPolarHBondContact O-CB 3.21Å; H531-H555 PolarHBondContact O-N 3.01Å; H531-H555 VanDerWaalsContact O-N 3.08Å
532	S	93.4	Very high	94.6	Very high	42 Å²	42	39 Å²	39	29%	0.294	21%	0.209	S	C	.	.			trans	-147.4	157.5	-179.3	51.5	0	0	0	0	112.5	L530	L530-S532 WeakPolarHBondContact CD1-O 3.39Å
533	L	94.8	Very high	94.4	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.063	22%	0.218	C	C	.	.			trans	-120.6	142.5	172.1	-64.4	167.4	0	0	0	109.1	L509 L524 L530 L537 M546 L553 I568 L572	L509-L533 HydrophobicContact CD1-CD2 3.81Å; L524-L533 HydrophobicContact CD1-CD2 3.87Å; L530-L533 HydrophobicContact CD2-CD2 4.07Å; L533-L537 HydrophobicContact CB-CD2 4.46Å; L533-L537 HydrophobicContact CD1-CD2 4.37Å; L533-L537 HydrophobicContact CD2-CD2 4.49Å; L533-M546 HydrophobicContact CD1-CE 3.74Å; L533-L553 HydrophobicContact CD1-CD1 4.31Å; L533-L553 HydrophobicContact CD1-CD2 3.99Å; L533-L553 HydrophobicContact CD2-CD2 4.44Å; L533-L553 HydrophobicContact CG-CD2 3.82Å; L533-I568 HydrophobicContact CD1-CG2 3.88Å; L533-L572 HydrophobicContact CB-CD1 4.26Å
534	P	94.3	Very high	94.2	Very high	17 Å²	17	41.9 Å²	41.9	11%	0.11	24%	0.237	C	C	.	.			trans	-67	148.6	178.5	28.1	-34.4	0	0	0	111.3	L509 E511 I513 E536 L537	L509-P534 HydrophobicContact CB-CG 4.04Å; E511-P534 HydrophobicContact CG-CB 4.4Å; I513-P534 HydrophobicContact CG2-CG 3.72Å; P534-E536 PolarHBondContact O-N 3.18Å; P534-L537 WeakPolarHBondContact O-CB 3.22Å; P534-L537 PolarHBondContact O-N 2.94Å
535	F	92.4	Very high	94.1	Very high	82 Å²	82	45.2 Å²	45.2	36%	0.36	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-64.7	-30.5	178.3	-66.8	-67	0	0	0	111.8	L537 A538 L572 Q575	F535-L537 PolarHBondContact O-N 3.12Å; F535-L537 VanDerWaalsContact O-N 3.15Å; F535-A538 WeakPolarHBondContact O-CB 3.16Å; F535-A538 PolarHBondContact O-N 2.96Å; F535-L572 HydrophobicContact CD1-CB 4.45Å; F535-L572 HydrophobicContact CD1-CD2 3.77Å; F535-L572 HydrophobicContact CE1-CD2 4.13Å; F535-Q575 HydrophobicContact CD1-CB 4.48Å; F535-Q575 HydrophobicContact CE1-CB 3.79Å; F535-Q575 HydrophobicContact CZ-CB 4.49Å
536	E	94.1	Very high	94.1	Very high	17 Å²	17	44.9 Å²	44.9	8%	0.079	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-59.2	-23.1	178.6	-70.1	69.6	-150.5	0	0	112.4	E511 G514 P534 A538 L539 Y578	E511-E536 HydrophobicContact CB-CG 4.04Å; E511-E536 WeakPolarHBondContact O-CB 3.26Å; E511-E536 WeakPolarHBondContact O-CG 3.29Å; G514-E536 WeakPolarHBondContact CA-O 3.42Å; P534-E536 PolarHBondContact O-N 3.18Å; E536-A538 PolarHBondContact O-N 3.44Å; E536-A538 VanDerWaalsContact O-N 3.08Å; E536-L539 HydrophobicContact CB-CD1 4.3Å; E536-L539 HydrophobicContact CG-CD1 4.39Å; E536-L539 WeakPolarHBondContact O-CB 3.41Å; E536-L539 WeakPolarHBondContact O-CG 3.28Å; E536-L539 PolarHBondContact O-N 3.45Å; E536-Y578 HydrophobicContact CG-CE2 4.07Å; E536-Y578 VanDerWaalsContact OE1-CE2 3.27Å; E536-Y578 WeakPolarHBondContact OE1-CE2 3.07Å; E536-Y578 PolarHBondContact OE1-OH 3.28Å
537	L	93.1	Very high	93.9	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-58.1	-25.5	174.2	-172.9	63.7	0	0	0	112.4	I513 L522 L533 P534 F535 L539 C540 L543 M546 I569 L572	I513-L537 HydrophobicContact CG1-CD1 4.25Å; I513-L537 HydrophobicContact CG2-CB 4.33Å; I513-L537 HydrophobicContact CG2-CD1 4.17Å; L522-L537 HydrophobicContact CD2-CD1 3.66Å; L522-L537 HydrophobicContact CD2-CD2 4.38Å; L533-L537 HydrophobicContact CB-CD2 4.46Å; L533-L537 HydrophobicContact CD1-CD2 4.37Å; L533-L537 HydrophobicContact CD2-CD2 4.49Å; P534-L537 WeakPolarHBondContact O-CB 3.22Å; P534-L537 PolarHBondContact O-N 2.94Å; F535-L537 PolarHBondContact O-N 3.12Å; F535-L537 VanDerWaalsContact O-N 3.15Å; L537-L539 PolarHBondContact O-N 3.18Å; L537-C540 PolarHBondContact O-N 2.89Å; L537-L543 HydrophobicContact CD1-CD2 4.29Å; L537-M546 HydrophobicContact CD2-CE 3.54Å; L537-M546 HydrophobicContact CD2-SD 4.31Å; L537-I569 HydrophobicContact CD2-CD1 4.1Å; L537-I569 HydrophobicContact CG-CD1 3.95Å; L537-L572 HydrophobicContact CB-CD1 4.27Å; L537-L572 HydrophobicContact CD2-CD1 4.37Å
538	A	90.9	Very high	93.7	Very high	13 Å²	13	44.3 Å²	44.3	11%	0.107	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-62.1	-21.5	172	0	0	0	0	0	114.5	F535 E536 C540 L572 K573	F535-A538 WeakPolarHBondContact O-CB 3.16Å; F535-A538 PolarHBondContact O-N 2.96Å; E536-A538 PolarHBondContact O-N 3.44Å; E536-A538 VanDerWaalsContact O-N 3.08Å; A538-C540 VanDerWaalsContact C-N 3.35Å; A538-L572 HydrophobicContact CB-CB 4.18Å; A538-K573 HydrophobicContact CB-CB 4.36Å; A538-K573 HydrophobicContact CB-CG 3.48Å; A538-K573 VanDerWaalsContact CB-CG 3.48Å; A538-K573 VanDerWaalsContact O-CE 3.23Å; A538-K573 WeakPolarHBondContact O-CE 3.3Å
539	L	91.2	Very high	93.6	Very high	72 Å²	72	47.7 Å²	47.7	38%	0.377	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-80.5	-15.3	-178.7	-56.7	174.9	0	0	0	112.6	G514 E536 L537 S541 Y578	G514-L539 WeakPolarHBondContact O-CB 3.42Å; E536-L539 HydrophobicContact CB-CD1 4.3Å; E536-L539 HydrophobicContact CG-CD1 4.39Å; E536-L539 WeakPolarHBondContact O-CB 3.41Å; E536-L539 WeakPolarHBondContact O-CG 3.28Å; E536-L539 PolarHBondContact O-N 3.45Å; L537-L539 PolarHBondContact O-N 3.18Å; L539-S541 PolarHBondContact O-N 3.33Å; L539-Y578 HydrophobicContact CD1-CE2 4.48Å; L539-Y578 HydrophobicContact CD2-CG 4.39Å
540	C	91.9	Very high	93.3	Very high	7 Å²	7	50 Å²	50	5%	0.047	27%	0.272	C	S	.	.			trans	-68.9	80.1	172.2	-64.1	0	0	0	0	110.4	I513 L537 A538 K542 L543	I513-C540 PolarHBondContact O-SG 3.36Å; L537-C540 PolarHBondContact O-N 2.89Å; A538-C540 VanDerWaalsContact C-N 3.35Å; C540-K542 VanDerWaalsContact C-N 3.26Å; C540-K542 PolarHBondContact O-N 2.88Å; C540-L543 HydrophobicContact CB-CB 3.94Å; C540-L543 VanDerWaalsContact O-CB 3.29Å; C540-L543 WeakPolarHBondContact O-CB 3.25Å; C540-L543 PolarHBondContact O-N 3.08Å; C540-L543 VanDerWaalsContact O-N 3.12Å
541	S	87.8	Confident	93.2	Very high	94 Å²	94	50.7 Å²	50.7	66%	0.657	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.4	-169.6	63.9	0	0	0	0	114.5	L539	L539-S541 PolarHBondContact O-N 3.33Å
542	K	94.1	Very high	93.1	Very high	104 Å²	104	50 Å²	50	45%	0.452	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-2.4	177.8	-62.8	-168.2	-169.7	171.5	0	114.3	E517 N518 L519 E520 C540 S544	E517-K542 WeakPolarHBondContact O-CG 3.48Å; N518-K542 PolarHBondContact OD1-NZ 3.01Å; L519-K542 CarbonylContact O-C 3.39Å; E520-K542 HydrophobicContact CG-CB 4.35Å; C540-K542 VanDerWaalsContact C-N 3.26Å; C540-K542 PolarHBondContact O-N 2.88Å; K542-S544 PolarHBondContact O-N 3.24Å; K542-S544 VanDerWaalsContact O-N 3.07Å
543	L	94.4	Very high	93.1	Very high	34 Å²	34	48 Å²	48	18%	0.178	27%	0.265	C	S	.	.			trans	-64.3	114.7	-176.5	-175	66	0	0	0	109.8	L519 L522 L537 C540 I545 M546 I569	L519-L543 HydrophobicContact CD2-CD1 4.3Å; L519-L543 HydrophobicContact CG-CD1 4.23Å; L519-L543 WeakPolarHBondContact O-CA 3.45Å; L519-L543 PolarHBondContact O-N 3.5Å; L522-L543 HydrophobicContact CB-CD1 3.71Å; L537-L543 HydrophobicContact CD1-CD2 4.29Å; C540-L543 HydrophobicContact CB-CB 3.94Å; C540-L543 VanDerWaalsContact O-CB 3.29Å; C540-L543 WeakPolarHBondContact O-CB 3.25Å; C540-L543 PolarHBondContact O-N 3.08Å; C540-L543 VanDerWaalsContact O-N 3.12Å; L543-I545 WeakPolarHBondContact CD1-O 3.42Å; L543-M546 HydrophobicContact CD2-CB 4.47Å; L543-M546 HydrophobicContact CD2-SD 4.36Å; L543-I569 HydrophobicContact CD2-CD1 4.06Å
544	S	93.4	Very high	92.9	Very high	93 Å²	93	51 Å²	51	65%	0.65	29%	0.286	S	S	*	.			trans	-116.5	-34.8	-174.4	69.3	0	0	0	0	112.1	E520 K542	E520-S544 PolarHBondContact O-N 3.31Å; E520-S544 PolarHBondContact O-OG 2.91Å; K542-S544 PolarHBondContact O-N 3.24Å; K542-S544 VanDerWaalsContact O-N 3.07Å
545	I	94.9	Very high	92.7	Very high	70 Å²	70	56.5 Å²	56.5	36%	0.359	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.6	178.8	-61.9	172.5	0	0	0	108.1	E520 E521 L522 Y523 L543	E520-I545 PolarHBondContact O-N 3.26Å; E521-I545 WeakPolarHBondContact CA-O 3.45Å; E521-I545 HydrophobicContact CB-CB 4.32Å; E521-I545 HydrophobicContact CG-CB 4.15Å; E521-I545 HydrophobicContact CG-CD1 4.09Å; L522-I545 PolarHBondContact N-O 2.9Å; Y523-I545 HydrophobicContact CE1-CG2 4.17Å; L543-I545 WeakPolarHBondContact CD1-O 3.42Å
546	M	95.8	Very high	92.6	Very high	19 Å²	19	53.3 Å²	53.3	9%	0.094	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	125.3	174.2	-179.9	-175.4	-171.6	0	0	109.6	L522 L524 L533 L537 L543 I548 P565 I569	L522-M546 CarbonylContact O-C 3.11Å; L522-M546 WeakPolarHBondContact O-CA 3.49Å; L524-M546 HydrophobicContact CD1-CE 3.74Å; L533-M546 HydrophobicContact CD1-CE 3.74Å; L537-M546 HydrophobicContact CD2-CE 3.54Å; L537-M546 HydrophobicContact CD2-SD 4.31Å; L543-M546 HydrophobicContact CD2-CB 4.47Å; L543-M546 HydrophobicContact CD2-SD 4.36Å; M546-I548 HydrophobicContact CE-CG2 3.6Å; M546-I548 HydrophobicContact CG-CG2 4.1Å; M546-I548 HydrophobicContact SD-CG2 4.33Å; M546-P565 HydrophobicContact CB-CB 3.79Å; M546-P565 HydrophobicContact CB-CG 4.34Å; M546-P565 HydrophobicContact CG-CB 4.07Å; M546-P565 WeakPolarHBondContact O-CG 3.26Å; M546-P565 HydrophobicContact SD-CB 4.02Å; M546-I569 HydrophobicContact SD-CD1 4.18Å; M546-I569 HydrophobicContact SD-CG1 4.34Å
547	S	94.5	Very high	92.4	Very high	23 Å²	23	54.6 Å²	54.6	16%	0.161	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.3	175.6	-173.5	0	0	0	0	110.3	L522 L524 N525	L522-S547 PolarHBondContact O-N 3.26Å; L524-S547 CarbonylContact C-O 3.24Å; L524-S547 WeakPolarHBondContact CA-O 3.42Å; L524-S547 VanDerWaalsContact CB-O 3.31Å; L524-S547 WeakPolarHBondContact CB-O 3.5Å; L524-S547 PolarHBondContact N-O 3.4Å; N525-S547 WeakPolarHBondContact CB-OG 3.27Å; N525-S547 PolarHBondContact N-O 3.26Å; N525-S547 PolarHBondContact OD1-OG 2.92Å
548	I	93.4	Very high	92.1	Very high	20 Å²	20	59.3 Å²	59.3	10%	0.103	34%	0.337	C	S	.	.			trans	-141.6	15.1	-176.2	57.1	175.1	0	0	0	112.1	L524 M546 N550 C551 L553 P565 I568	L524-I548 HydrophobicContact CD1-CG2 4.48Å; M546-I548 HydrophobicContact CE-CG2 3.6Å; M546-I548 HydrophobicContact CG-CG2 4.1Å; M546-I548 HydrophobicContact SD-CG2 4.33Å; I548-N550 PolarHBondContact O-N 3.27Å; I548-C551 WeakPolarHBondContact O-CB 3.38Å; I548-C551 PolarHBondContact O-N 3.11Å; I548-L553 HydrophobicContact CB-CD1 4.32Å; I548-L553 HydrophobicContact CD1-CD1 4.17Å; I548-P565 HydrophobicContact CD1-CG 4.1Å; I548-P565 HydrophobicContact CG1-CG 4.17Å; I548-I568 HydrophobicContact CD1-CD1 3.16Å
549	E	92.8	Very high	92.1	Very high	140 Å²	140	65.5 Å²	65.5	65%	0.654	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	141	-179.8	-62.6	-177.7	179.5	0	0	109.6	N525 D526 C551	N525-E549 CarbonylContact C-O 3.57Å; N525-E549 WeakPolarHBondContact CA-O 3.36Å; N525-E549 HydrophobicContact CB-CB 4.2Å; N525-E549 WeakPolarHBondContact CB-O 3.25Å; D526-E549 PolarHBondContact N-O 2.82Å; E549-C551 PolarHBondContact O-N 3.09Å; E549-C551 VanDerWaalsContact O-N 3.16Å
550	N	91.9	Very high	92	Very high	117 Å²	117	63.7 Å²	63.7	63%	0.626	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	24.5	-178.3	-54.3	-33.9	0	0	0	115.5	D526 I548	D526-N550 WeakPolarHBondContact OD1-CB 3.47Å; D526-N550 PolarHBondContact OD1-ND2 3.28Å; I548-N550 PolarHBondContact O-N 3.27Å
551	C	94.4	Very high	91.8	Very high	14 Å²	14	65.2 Å²	65.2	10%	0.095	36%	0.364	C	S	.	.			trans	-96.6	131.5	163.6	-63.9	0	0	0	0	110.6	L524 I548 E549 L553	L524-C551 PolarHBondContact O-SG 3.02Å; I548-C551 WeakPolarHBondContact O-CB 3.38Å; I548-C551 PolarHBondContact O-N 3.11Å; E549-C551 PolarHBondContact O-N 3.09Å; E549-C551 VanDerWaalsContact O-N 3.16Å; C551-L553 HydrophobicContact CB-CD1 4.32Å; C551-L553 HydrophobicContact CB-CD2 4.36Å; C551-L553 HydrophobicContact CB-CG 3.86Å; C551-L553 PolarHBondContact O-N 3.44Å
552	P	92.1	Very high	91.7	Very high	58 Å²	58	65 Å²	65	38%	0.377	37%	0.368	S	S	.	.			trans	-68	-35.1	-177.4	26.4	-34.3	0	0	0	113	N527 P528 L530 S554	N527-P552 WeakPolarHBondContact O-CD 3.12Å; P528-P552 WeakPolarHBondContact O-CG 3.45Å; L530-P552 WeakPolarHBondContact O-CD 3.16Å; L530-P552 WeakPolarHBondContact O-CG 3.26Å; P552-S554 PolarHBondContact O-N 3.06Å
553	L	92.9	Very high	91.3	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	36%	0.362	C	S	.	.			trans	42.5	36.4	177.7	-63	-179.9	0	0	0	114.3	L530 H531 L533 I548 C551 H555 L556 V561 I568	L530-L553 HydrophobicContact CG-CD2 4.26Å; L530-L553 PolarHBondContact O-N 2.85Å; H531-L553 CarbonylContact O-C 3.19Å; H531-L553 WeakPolarHBondContact O-CA 3.26Å; L533-L553 HydrophobicContact CD1-CD1 4.31Å; L533-L553 HydrophobicContact CD1-CD2 3.99Å; L533-L553 HydrophobicContact CD2-CD2 4.44Å; L533-L553 HydrophobicContact CG-CD2 3.82Å; I548-L553 HydrophobicContact CB-CD1 4.32Å; I548-L553 HydrophobicContact CD1-CD1 4.17Å; C551-L553 HydrophobicContact CB-CD1 4.32Å; C551-L553 HydrophobicContact CB-CD2 4.36Å; C551-L553 HydrophobicContact CB-CG 3.86Å; C551-L553 PolarHBondContact O-N 3.44Å; L553-H555 PolarHBondContact O-N 3.26Å; L553-L556 HydrophobicContact CB-CD1 4.34Å; L553-L556 HydrophobicContact CD1-CD1 4.44Å; L553-L556 WeakPolarHBondContact O-CB 3.14Å; L553-L556 PolarHBondContact O-N 2.92Å; L553-V561 HydrophobicContact CB-CG1 4.44Å; L553-V561 HydrophobicContact CB-CG2 4.06Å; L553-V561 HydrophobicContact CD1-CG1 4.43Å; L553-I568 HydrophobicContact CD1-CD1 3.95Å
554	S	91.3	Very high	91	Very high	74 Å²	74	60.8 Å²	60.8	52%	0.517	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-13.5	-167.7	55.3	0	0	0	0	114.7	H531 P552 L556	H531-S554 PolarHBondContact ND1-OG 2.89Å; H531-S554 PolarHBondContact O-N 3.17Å; P552-S554 PolarHBondContact O-N 3.06Å; S554-L556 VanDerWaalsContact C-N 3.3Å
555	H	90.4	Very high	90.9	Very high	134 Å²	134	58.2 Å²	58.2	62%	0.62	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.4	174	-62.2	170.3	0	0	0	113	H531 L553	H531-H555 WeakPolarHBondContact O-CB 3.21Å; H531-H555 PolarHBondContact O-N 3.01Å; H531-H555 VanDerWaalsContact O-N 3.08Å; L553-H555 PolarHBondContact O-N 3.26Å
556	L	89.8	Confident	90.6	Very high	15 Å²	15	59.3 Å²	59.3	8%	0.079	36%	0.357	C	S	.	.	S	Bend	trans	-96.9	148.3	174.7	-63	176.9	0	0	0	110.7	L553 S554 V561 I568 F571 L572	L553-L556 HydrophobicContact CB-CD1 4.34Å; L553-L556 HydrophobicContact CD1-CD1 4.44Å; L553-L556 WeakPolarHBondContact O-CB 3.14Å; L553-L556 PolarHBondContact O-N 2.92Å; S554-L556 VanDerWaalsContact C-N 3.3Å; L556-V561 HydrophobicContact CB-CG2 3.66Å; L556-V561 HydrophobicContact CD1-CG2 4.45Å; L556-I568 HydrophobicContact CD1-CD1 4.44Å; L556-I568 HydrophobicContact CD1-CG1 4.11Å; L556-I568 HydrophobicContact CD1-CG2 3.91Å; L556-F571 HydrophobicContact CD2-CD1 3.7Å; L556-F571 HydrophobicContact CD2-CE1 3.53Å; L556-L572 HydrophobicContact CD2-CD2 4.45Å
557	P	89.3	Confident	90.3	Very high	44 Å²	44	63.6 Å²	63.6	29%	0.286	38%	0.375	S	S	.	.			trans	-58.1	133.4	175.7	-22.2	32.1	0	0	0	111	Q559 I560 V561 F571	P557-Q559 PolarHBondContact O-N 3.16Å; P557-Q559 VanDerWaalsContact O-N 3.07Å; P557-I560 HydrophobicContact CB-CB 4.4Å; P557-I560 HydrophobicContact CB-CG1 3.98Å; P557-I560 HydrophobicContact CG-CG1 4.08Å; P557-I560 WeakPolarHBondContact O-CA 3.38Å; P557-I560 WeakPolarHBondContact O-CB 3.32Å; P557-I560 PolarHBondContact O-N 3Å; P557-V561 PolarHBondContact O-N 2.99Å; P557-V561 VanDerWaalsContact O-N 3.16Å; P557-F571 HydrophobicContact CG-CD2 4.48Å; P557-F571 HydrophobicContact CG-CE2 3.79Å; P557-F571 HydrophobicContact CG-CZ 4Å
558	P	87.6	Confident	90.1	Very high	99 Å²	99	62.5 Å²	62.5	64%	0.643	37%	0.368	S	S	*	.	H	α-helix	trans	-56	-31.8	-176.4	-28.1	34.9	0	0	0	114.1	I560 V561 A562	P558-I560 VanDerWaalsContact C-N 3.33Å; P558-V561 PolarHBondContact O-N 2.83Å; P558-A562 VanDerWaalsContact O-CB 3.32Å; P558-A562 WeakPolarHBondContact O-CB 3.15Å; P558-A562 PolarHBondContact O-N 3.25Å
559	Q	89.4	Confident	90	Very high	144 Å²	144	63 Å²	63	67%	0.673	37%	0.37	S	S	*	.	H	α-helix	trans	-67	-34.6	176.9	-57.5	83.4	0.6	0	0	112.3	P557 G563	P557-Q559 PolarHBondContact O-N 3.16Å; P557-Q559 VanDerWaalsContact O-N 3.07Å; Q559-G563 PolarHBondContact O-N 3.26Å; Q559-G563 VanDerWaalsContact O-N 3.12Å
560	I	89.4	Confident	89.7	Confident	33 Å²	33	61.6 Å²	61.6	17%	0.169	36%	0.363	C	S	.	.	H	α-helix	trans	-71.2	-43.9	176.9	-63.6	-61.4	0	0	0	109.8	P557 P558 G563 F567 I568 F571	P557-I560 HydrophobicContact CB-CB 4.4Å; P557-I560 HydrophobicContact CB-CG1 3.98Å; P557-I560 HydrophobicContact CG-CG1 4.08Å; P557-I560 WeakPolarHBondContact O-CA 3.38Å; P557-I560 WeakPolarHBondContact O-CB 3.32Å; P557-I560 PolarHBondContact O-N 3Å; P558-I560 VanDerWaalsContact C-N 3.33Å; I560-G563 PolarHBondContact O-N 3.28Å; I560-F567 HydrophobicContact CD1-CD1 4.47Å; I560-F567 HydrophobicContact CG2-CB 4.36Å; I560-I568 HydrophobicContact CG2-CB 4.39Å; I560-I568 HydrophobicContact CG2-CG1 3.79Å; I560-F571 HydrophobicContact CD1-CB 4.28Å; I560-F571 HydrophobicContact CD1-CD2 4.25Å; I560-F571 HydrophobicContact CG1-CB 4.33Å; I560-F571 HydrophobicContact CG1-CD2 3.93Å; I560-F571 HydrophobicContact CG1-CG 4.27Å; I560-F571 HydrophobicContact CG2-CB 3.69Å; I560-F571 HydrophobicContact CG2-CG 4.1Å
561	V	87.8	Confident	89.6	Confident	39 Å²	39	57.8 Å²	57.8	24%	0.236	34%	0.342	C	S	.	.	H	α-helix	trans	-62.6	-43.2	177	-177.3	0	0	0	0	111	L553 L556 P557 P558 G563 G564	L553-V561 HydrophobicContact CB-CG1 4.44Å; L553-V561 HydrophobicContact CB-CG2 4.06Å; L553-V561 HydrophobicContact CD1-CG1 4.43Å; L556-V561 HydrophobicContact CB-CG2 3.66Å; L556-V561 HydrophobicContact CD1-CG2 4.45Å; P557-V561 PolarHBondContact O-N 2.99Å; P557-V561 VanDerWaalsContact O-N 3.16Å; P558-V561 PolarHBondContact O-N 2.83Å; V561-G563 VanDerWaalsContact C-N 3.27Å; V561-G563 PolarHBondContact O-N 3.36Å; V561-G564 PolarHBondContact O-N 2.79Å
562	A	86.4	Confident	89.4	Confident	90 Å²	90	57.2 Å²	57.2	74%	0.744	34%	0.337	S	S	*	.	H	α-helix	trans	-65.6	-27.2	176.2	0	0	0	0	0	113.7	P558 G564	P558-A562 VanDerWaalsContact O-CB 3.32Å; P558-A562 WeakPolarHBondContact O-CB 3.15Å; P558-A562 PolarHBondContact O-N 3.25Å; A562-G564 PolarHBondContact O-N 2.98Å
563	G	85.5	Confident	89.1	Confident	32 Å²	32	59.9 Å²	59.9	33%	0.33	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-6.8	172.5	0	0	0	0	0	113.8	Q559 I560 V561 F567	Q559-G563 PolarHBondContact O-N 3.26Å; Q559-G563 VanDerWaalsContact O-N 3.12Å; I560-G563 PolarHBondContact O-N 3.28Å; V561-G563 VanDerWaalsContact C-N 3.27Å; V561-G563 PolarHBondContact O-N 3.36Å; G563-F567 WeakPolarHBondContact O-CD2 3.27Å
564	G	89.3	Confident	88.8	Confident	17 Å²	17	64.6 Å²	64.6	18%	0.175	37%	0.366	C	S	.	.			trans	78	-170.5	176.8	0	0	0	0	0	114.1	V561 A562 S566 F567 I568	V561-G564 PolarHBondContact O-N 2.79Å; A562-G564 PolarHBondContact O-N 2.98Å; G564-S566 VanDerWaalsContact C-N 3.31Å; G564-S566 PolarHBondContact O-N 3.05Å; G564-F567 PolarHBondContact O-N 2.79Å; G564-I568 PolarHBondContact O-N 2.99Å
565	P	90	Very high	88.4	Confident	40 Å²	40	65.7 Å²	65.7	26%	0.26	36%	0.363	S	S	.	.	H	α-helix	trans	-58	-37.3	-170	-21.5	27.4	0	0	0	114.5	M546 I548 F567 I568 I569	M546-P565 HydrophobicContact CB-CB 3.79Å; M546-P565 HydrophobicContact CB-CG 4.34Å; M546-P565 HydrophobicContact CG-CB 4.07Å; M546-P565 WeakPolarHBondContact O-CG 3.26Å; M546-P565 HydrophobicContact SD-CB 4.02Å; I548-P565 HydrophobicContact CD1-CG 4.1Å; I548-P565 HydrophobicContact CG1-CG 4.17Å; P565-F567 PolarHBondContact O-N 3.3Å; P565-I568 PolarHBondContact O-N 3.06Å; P565-I569 WeakPolarHBondContact O-CG1 3.39Å; P565-I569 PolarHBondContact O-N 2.68Å
566	S	89.3	Confident	87.6	Confident	93 Å²	93	59.4 Å²	59.4	65%	0.65	34%	0.335	S	S	*	.	H	α-helix	trans	-63.1	-41.8	-179.9	-52.8	0	0	0	0	112.7	G564 Q570	G564-S566 VanDerWaalsContact C-N 3.31Å; G564-S566 PolarHBondContact O-N 3.05Å; S566-Q570 PolarHBondContact O-N 2.71Å; S566-Q570 VanDerWaalsContact O-N 3.07Å
567	F	89.8	Confident	86.7	Confident	109 Å²	109	63.6 Å²	63.6	48%	0.478	36%	0.363	S	S	.	.	H	α-helix	trans	-68.9	-38.3	177.2	-83.9	-108.6	0	0	0	111.4	I560 G563 G564 P565 Q570 F571	I560-F567 HydrophobicContact CD1-CD1 4.47Å; I560-F567 HydrophobicContact CG2-CB 4.36Å; G563-F567 WeakPolarHBondContact O-CD2 3.27Å; G564-F567 PolarHBondContact O-N 2.79Å; P565-F567 PolarHBondContact O-N 3.3Å; F567-Q570 PolarHBondContact O-N 3.37Å; F567-F571 WeakPolarHBondContact O-CB 3.43Å; F567-F571 PolarHBondContact O-N 3.33Å
568	I	90.6	Very high	85.5	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-50.3	175.5	-70.4	163.1	0	0	0	110.5	L533 I548 L553 L556 I560 G564 P565 Q570 F571 L572	L533-I568 HydrophobicContact CD1-CG2 3.88Å; I548-I568 HydrophobicContact CD1-CD1 3.16Å; L553-I568 HydrophobicContact CD1-CD1 3.95Å; L556-I568 HydrophobicContact CD1-CD1 4.44Å; L556-I568 HydrophobicContact CD1-CG1 4.11Å; L556-I568 HydrophobicContact CD1-CG2 3.91Å; I560-I568 HydrophobicContact CG2-CB 4.39Å; I560-I568 HydrophobicContact CG2-CG1 3.79Å; G564-I568 PolarHBondContact O-N 2.99Å; P565-I568 PolarHBondContact O-N 3.06Å; I568-Q570 VanDerWaalsContact C-N 3.29Å; I568-Q570 PolarHBondContact O-N 3.34Å; I568-F571 WeakPolarHBondContact O-CB 3.4Å; I568-F571 PolarHBondContact O-N 3.45Å; I568-F571 VanDerWaalsContact O-N 3.13Å; I568-L572 HydrophobicContact CG2-CD1 3.9Å; I568-L572 HydrophobicContact CG2-CG 4.27Å; I568-L572 VanDerWaalsContact O-CG 3.29Å; I568-L572 WeakPolarHBondContact O-CG 3.24Å; I568-L572 PolarHBondContact O-N 3.16Å
569	I	89.3	Confident	84.1	Confident	30 Å²	30	69.1 Å²	69.1	15%	0.154	37%	0.366	C	S	.	.	H	α-helix	trans	-59.5	-41.4	178.1	-66.5	-64.7	0	0	0	111	L537 L543 M546 P565 L572 K573	L537-I569 HydrophobicContact CD2-CD1 4.1Å; L537-I569 HydrophobicContact CG-CD1 3.95Å; L543-I569 HydrophobicContact CD2-CD1 4.06Å; M546-I569 HydrophobicContact SD-CD1 4.18Å; M546-I569 HydrophobicContact SD-CG1 4.34Å; P565-I569 WeakPolarHBondContact O-CG1 3.39Å; P565-I569 PolarHBondContact O-N 2.68Å; I569-L572 PolarHBondContact O-N 3.39Å; I569-K573 HydrophobicContact CG2-CD 4.28Å; I569-K573 WeakPolarHBondContact O-CB 3.44Å; I569-K573 WeakPolarHBondContact O-CG 3.47Å; I569-K573 PolarHBondContact O-N 3.15Å
570	Q	88.4	Confident	82.3	Confident	110 Å²	110	66.9 Å²	66.9	51%	0.514	37%	0.372	S	S	.	.	H	α-helix	trans	-65	-40.8	175.9	-172	177.1	3.9	0	0	112.5	S566 F567 I568 K573 M574	S566-Q570 PolarHBondContact O-N 2.71Å; S566-Q570 VanDerWaalsContact O-N 3.07Å; F567-Q570 PolarHBondContact O-N 3.37Å; I568-Q570 VanDerWaalsContact C-N 3.29Å; I568-Q570 PolarHBondContact O-N 3.34Å; Q570-K573 WeakPolarHBondContact O-CB 3.42Å; Q570-K573 PolarHBondContact O-N 3.3Å; Q570-M574 WeakPolarHBondContact O-CG 3.44Å; Q570-M574 PolarHBondContact O-N 3.41Å
571	F	89.8	Confident	80.5	Confident	38 Å²	38	72.8 Å²	72.8	17%	0.167	40%	0.401	C	S	.	.	H	α-helix	trans	-62.3	-45.5	175.2	176.4	-92.2	0	0	0	111.6	L556 P557 I560 F567 I568 K573 M574 Q575	L556-F571 HydrophobicContact CD2-CD1 3.7Å; L556-F571 HydrophobicContact CD2-CE1 3.53Å; P557-F571 HydrophobicContact CG-CD2 4.48Å; P557-F571 HydrophobicContact CG-CE2 3.79Å; P557-F571 HydrophobicContact CG-CZ 4Å; I560-F571 HydrophobicContact CD1-CB 4.28Å; I560-F571 HydrophobicContact CD1-CD2 4.25Å; I560-F571 HydrophobicContact CG1-CB 4.33Å; I560-F571 HydrophobicContact CG1-CD2 3.93Å; I560-F571 HydrophobicContact CG1-CG 4.27Å; I560-F571 HydrophobicContact CG2-CB 3.69Å; I560-F571 HydrophobicContact CG2-CG 4.1Å; F567-F571 WeakPolarHBondContact O-CB 3.43Å; F567-F571 PolarHBondContact O-N 3.33Å; I568-F571 WeakPolarHBondContact O-CB 3.4Å; I568-F571 PolarHBondContact O-N 3.45Å; I568-F571 VanDerWaalsContact O-N 3.13Å; F571-K573 VanDerWaalsContact C-N 3.33Å; F571-K573 PolarHBondContact O-N 3.45Å; F571-M574 PolarHBondContact O-N 3.45Å; F571-M574 VanDerWaalsContact O-N 3.16Å; F571-Q575 HydrophobicContact CD1-CG 4.46Å; F571-Q575 HydrophobicContact CD2-CG 4.12Å; F571-Q575 HydrophobicContact CE1-CB 4.4Å; F571-Q575 HydrophobicContact CE1-CG 4.07Å; F571-Q575 HydrophobicContact CE2-CG 3.71Å; F571-Q575 HydrophobicContact CG-CG 4.48Å; F571-Q575 HydrophobicContact CZ-CB 4.43Å; F571-Q575 HydrophobicContact CZ-CG 3.69Å; F571-Q575 PolarHBondContact O-N 3.31Å
572	L	89.8	Confident	78.3	Confident	2 Å²	2	81 Å²	81	1%	0.01	45%	0.451	C	S	.	.	H	α-helix	trans	-61.3	-41.8	176.5	-65.6	174.3	0	0	0	111.1	L533 F535 L537 A538 L556 I568 I569 M574 Q575 G576	L533-L572 HydrophobicContact CB-CD1 4.26Å; F535-L572 HydrophobicContact CD1-CB 4.45Å; F535-L572 HydrophobicContact CD1-CD2 3.77Å; F535-L572 HydrophobicContact CE1-CD2 4.13Å; L537-L572 HydrophobicContact CB-CD1 4.27Å; L537-L572 HydrophobicContact CD2-CD1 4.37Å; A538-L572 HydrophobicContact CB-CB 4.18Å; L556-L572 HydrophobicContact CD2-CD2 4.45Å; I568-L572 HydrophobicContact CG2-CD1 3.9Å; I568-L572 HydrophobicContact CG2-CG 4.27Å; I568-L572 VanDerWaalsContact O-CG 3.29Å; I568-L572 WeakPolarHBondContact O-CG 3.24Å; I568-L572 PolarHBondContact O-N 3.16Å; I569-L572 PolarHBondContact O-N 3.39Å; L572-M574 PolarHBondContact O-N 3.17Å; L572-Q575 PolarHBondContact O-N 2.99Å; L572-G576 PolarHBondContact O-N 3.49Å
573	K	85.7	Confident	77.9	Confident	113 Å²	113	80.6 Å²	80.6	49%	0.491	44%	0.436	S	S	.	.	H	α-helix	trans	-58.3	-44.1	172.3	-76.9	177.1	-179.3	-175.6	0	112.5	A538 I569 Q570 F571	A538-K573 HydrophobicContact CB-CB 4.36Å; A538-K573 HydrophobicContact CB-CG 3.48Å; A538-K573 VanDerWaalsContact CB-CG 3.48Å; A538-K573 VanDerWaalsContact O-CE 3.23Å; A538-K573 WeakPolarHBondContact O-CE 3.3Å; I569-K573 HydrophobicContact CG2-CD 4.28Å; I569-K573 WeakPolarHBondContact O-CB 3.44Å; I569-K573 WeakPolarHBondContact O-CG 3.47Å; I569-K573 PolarHBondContact O-N 3.15Å; Q570-K573 WeakPolarHBondContact O-CB 3.42Å; Q570-K573 PolarHBondContact O-N 3.3Å; F571-K573 VanDerWaalsContact C-N 3.33Å; F571-K573 PolarHBondContact O-N 3.45Å
574	M	85.6	Confident	77.5	Confident	101 Å²	101	83.1 Å²	83.1	50%	0.498	44%	0.442	S	S	.	.	H	α-helix	trans	-77.4	-27.8	-177.8	-71.9	-160.4	-57.5	0	0	113.6	Q570 F571 L572 R579	Q570-M574 WeakPolarHBondContact O-CG 3.44Å; Q570-M574 PolarHBondContact O-N 3.41Å; F571-M574 PolarHBondContact O-N 3.45Å; F571-M574 VanDerWaalsContact O-N 3.16Å; L572-M574 PolarHBondContact O-N 3.17Å; M574-R579 PolarHBondContact O-NE 3.16Å; M574-R579 PolarHBondContact O-NH2 3.42Å
575	Q	82.8	Confident	76.8	Confident	96 Å²	96	86.8 Å²	86.8	45%	0.449	46%	0.456	S	S	.	.	H	α-helix	trans	-101.7	-16.7	-177	-64.4	-59.6	-20.5	0	0	113.7	F535 F571 L572 R579	F535-Q575 HydrophobicContact CD1-CB 4.48Å; F535-Q575 HydrophobicContact CE1-CB 3.79Å; F535-Q575 HydrophobicContact CZ-CB 4.49Å; F571-Q575 HydrophobicContact CD1-CG 4.46Å; F571-Q575 HydrophobicContact CD2-CG 4.12Å; F571-Q575 HydrophobicContact CE1-CB 4.4Å; F571-Q575 HydrophobicContact CE1-CG 4.07Å; F571-Q575 HydrophobicContact CE2-CG 3.71Å; F571-Q575 HydrophobicContact CG-CG 4.48Å; F571-Q575 HydrophobicContact CZ-CB 4.43Å; F571-Q575 HydrophobicContact CZ-CG 3.69Å; F571-Q575 PolarHBondContact O-N 3.31Å; L572-Q575 PolarHBondContact O-N 2.99Å; Q575-R579 VanDerWaalsContact OE1-NH2 3.14Å
576	G	74.6	Confident	76	Confident	3 Å²	3	89.5 Å²	89.5	3%	0.031	47%	0.468	C	S	.	.	S	Bend	trans	-66.8	158.3	176.3	0	0	0	0	0	113.1	L572 Y578 R579	L572-G576 PolarHBondContact O-N 3.49Å; G576-Y578 PolarHBondContact O-N 3Å; G576-Y578 VanDerWaalsContact O-N 3.1Å; G576-R579 WeakPolarHBondContact O-CG 3.16Å
577	P	70.4	Confident	75.2	Confident	103 Å²	103	89.3 Å²	89.3	67%	0.669	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-9.8	177.6	27	-33.2	0	0	0	113.5	R579	P577-R579 PolarHBondContact O-N 3.16Å
578	Y	63.3	Low	74.3	Confident	86 Å²	86	88 Å²	88	34%	0.337	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	21.8	-172.7	-45.6	-74.7	0	0	0	114.7	E536 L539 G576 A580 M581	E536-Y578 HydrophobicContact CG-CE2 4.07Å; E536-Y578 VanDerWaalsContact OE1-CE2 3.27Å; E536-Y578 WeakPolarHBondContact OE1-CE2 3.07Å; E536-Y578 PolarHBondContact OE1-OH 3.28Å; L539-Y578 HydrophobicContact CD1-CE2 4.48Å; L539-Y578 HydrophobicContact CD2-CG 4.39Å; G576-Y578 PolarHBondContact O-N 3Å; G576-Y578 VanDerWaalsContact O-N 3.1Å; Y578-A580 PolarHBondContact O-N 3.27Å; Y578-M581 HydrophobicContact CD1-SD 4.45Å; Y578-M581 PolarHBondContact O-N 2.75Å
579	R	59.4	Low	73.1	Confident	173 Å²	173	94.3 Å²	94.3	65%	0.653	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-16.2	-179.2	-72.3	178.2	-178.6	-177.9	-2.9	115.4	M574 Q575 G576 P577	M574-R579 PolarHBondContact O-NE 3.16Å; M574-R579 PolarHBondContact O-NH2 3.42Å; Q575-R579 VanDerWaalsContact OE1-NH2 3.14Å; G576-R579 WeakPolarHBondContact O-CG 3.16Å; P577-R579 PolarHBondContact O-N 3.16Å
580	A	51.9	Low	71.8	Confident	97 Å²	97	99.2 Å²	99.2	80%	0.802	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	6.4	-172.8	0	0	0	0	0	115.4	Y578	Y578-A580 PolarHBondContact O-N 3.27Å
581	M	51	Low	70.5	Confident	156 Å²	156	98.3 Å²	98.3	77%	0.768	51%	0.513	S	S	*	.			trans	-104.6	34	-173.8	-82.7	-173.8	156.7	0	0	115.2	Y578	Y578-M581 HydrophobicContact CD1-SD 4.45Å; Y578-M581 PolarHBondContact O-N 2.75Å
582	V	41.3	Very low	68.7	Low	212 Å²	212	103.8 Å²	103.8	100%	1.285	55%	0.545	S	S	*	.			trans	-121.9	0	170.7	-174.6	0	0	0	0	110.7

Retrieved 582 of 582 residues in 122.7 ms (Link to these results)

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