A0A096MAZ6_POEFO Loading...

Hyaluronan and proteoglycan link protein 4

Essential for the proper localization of brevican (BCAN), mainly as a perineuronal nets (PNNs)-type deposition in the brainstem and cerebellum thereby playing a key role in the formation and structural organization of PNNs. Contributes to the formation and transmission of inhibitory GABAergic synapses between Purkinje cells and deep cerebellar nuclei neurons.

AlphaFold DB , UniProt , Accession A0A096MAZ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 395 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	31.3	Very low	236 Å²	236	152.1 Å²	152.1	100%	1.163	75%	0.752	S	S	*	*				0	97.5	0	-75.9	146.5	75.4	0	0	106.3
2	S	26.1	Very low	30.8	Very low	120 Å²	120	144.8 Å²	144.8	84%	0.839	74%	0.744	S	S	*	*				65	123.8	84.7	-147.3	0	0	0	0	108.9
3	S	28.1	Very low	30.8	Very low	80 Å²	80	147.8 Å²	147.8	56%	0.559	75%	0.753	S	S	*	*			cis	174.9	141	17.1	112	0	0	0	0	108.8
4	K	35.4	Very low	30.9	Very low	174 Å²	174	147.6 Å²	147.6	76%	0.757	75%	0.751	S	S	*	*				70.9	153.1	128.7	-62.1	170.6	146.7	-168.6	0	117.6
5	Q	35.9	Very low	31	Very low	124 Å²	124	151 Å²	151	58%	0.579	76%	0.758	S	S	*	*			cis	-168	140.6	-1.3	-116.7	169	-80.8	0	0	106.1
6	R	34.1	Very low	31	Very low	203 Å²	203	152.2 Å²	152.2	77%	0.766	76%	0.758	S	S	*	*				61.5	147.5	100.9	-83	-168	-164.5	-153.3	-0.2	114.6
7	Q	33	Very low	31	Very low	134 Å²	134	148.8 Å²	148.8	63%	0.626	75%	0.747	S	S	*	*			cis	-157	144.7	12.6	-91.2	-141.2	-47.3	0	0	106.5
8	L	28.5	Very low	31	Very low	139 Å²	139	148.2 Å²	148.2	73%	0.728	75%	0.745	S	S	*	*				59.1	123.4	92	-117.8	91.8	0	0	0	117.2
9	Q	29.5	Very low	31	Very low	151 Å²	151	150.5 Å²	150.5	71%	0.706	75%	0.75	S	S	*	*				133.2	102.9	119.9	-143.8	154.3	-24.8	0	0	114.6
10	V	29.7	Very low	31.1	Very low	107 Å²	107	149.6 Å²	149.6	65%	0.648	75%	0.746	S	S	*	*				87.3	149.5	98.2	-175	0	0	0	0	115.7
11	F	28.7	Very low	31.1	Very low	205 Å²	205	150 Å²	150	90%	0.899	75%	0.75	S	S	*	*			trans	85.5	127.5	172.5	-72	-80.1	0	0	0	114.1
12	G	26.1	Very low	30.9	Very low	64 Å²	64	143.7 Å²	143.7	66%	0.66	73%	0.725	S	S	*	*			cis	134.8	150.1	21.7	0	0	0	0	0	107.2
13	E	29.8	Very low	31.3	Very low	185 Å²	185	143.6 Å²	143.6	86%	0.864	72%	0.724	S	S	*	*			trans	103.4	122.6	167.9	-59.9	-67.9	133.4	0	0	119.7
14	M	32.4	Very low	31.5	Very low	145 Å²	145	144.8 Å²	144.8	71%	0.714	74%	0.739	S	S	*	*			trans	-64.4	148	171.6	-84.3	155.6	46.7	0	0	114.1
15	F	33	Very low	31.3	Very low	198 Å²	198	144.9 Å²	144.9	87%	0.868	75%	0.747	S	S	*	*			trans	-148.9	114.1	142.8	-85.3	-81	0	0	0	107.3
16	F	30.7	Very low	31.1	Very low	170 Å²	170	144.7 Å²	144.7	75%	0.746	76%	0.759	S	S	*	*				44.3	129.2	86.3	-100	-106.7	0	0	0	112.2
17	V	30.8	Very low	31	Very low	95 Å²	95	141.2 Å²	141.2	58%	0.576	76%	0.76	S	S	*	*			cis	-179.5	162.2	8	90.3	0	0	0	0	110.7
18	I	31.6	Very low	31.1	Very low	137 Å²	137	139.6 Å²	139.6	70%	0.703	76%	0.764	S	S	*	*			trans	67.3	99.1	147.3	-56.1	165.3	0	0	0	121.3
19	F	30.6	Very low	31.7	Very low	193 Å²	193	138.2 Å²	138.2	85%	0.846	76%	0.763	S	S	*	*				34.8	142.7	105.4	-98.8	-76.2	0	0	0	124.1
20	I	32.6	Very low	31.9	Very low	132 Å²	132	139.7 Å²	139.7	68%	0.677	77%	0.77	S	S	*	*			trans	99.3	116.2	148.3	-39	-157	0	0	0	117.8
21	L	31.4	Very low	32.4	Very low	157 Å²	157	141.4 Å²	141.4	82%	0.822	78%	0.775	S	S	*	*				-177.7	103.6	122.4	-94.8	152.3	0	0	0	112.9
22	T	31	Very low	32.7	Very low	105 Å²	105	139.9 Å²	139.9	64%	0.644	78%	0.776	S	S	*	*			trans	29.2	118.4	133.1	59.9	0	0	0	0	122.6
23	S	33.9	Very low	33.4	Very low	118 Å²	118	145.2 Å²	145.2	83%	0.825	79%	0.786	S	S	*	*				54.7	120.1	129	64.1	0	0	0	0	122.2
24	A	33.8	Very low	33.7	Very low	104 Å²	104	145 Å²	145	86%	0.86	79%	0.785	S	S	*	*			trans	-140.3	128.8	143.3	0	0	0	0	0	109.9
25	L	30.2	Very low	34	Very low	176 Å²	176	143.5 Å²	143.5	92%	0.921	79%	0.786	S	S	*	*			trans	-79.9	138.3	172.6	-78.2	155.1	0	0	0	110
26	S	32.7	Very low	34.5	Very low	120 Å²	120	145.6 Å²	145.6	84%	0.839	79%	0.788	S	S	*	*			trans	-139.9	142.9	154.8	58.7	0	0	0	0	110.2
27	V	30.7	Very low	35	Very low	131 Å²	131	148.5 Å²	148.5	79%	0.794	79%	0.794	S	S	*	*			trans	-95.4	129.5	-166.9	164.5	0	0	0	0	110.6
28	S	35.8	Very low	35.8	Very low	100 Å²	100	154.8 Å²	154.8	70%	0.699	81%	0.807	S	S	*	*			trans	28.6	147.5	150.6	71.3	0	0	0	0	122.1
29	P	41.5	Very low	36.6	Very low	110 Å²	110	153.5 Å²	153.5	71%	0.714	81%	0.805	S	S	*	*				-147.8	154.5	77.3	35.4	-14.8	0	0	0	118.1
30	E	32.3	Very low	37.3	Very low	181 Å²	181	149.4 Å²	149.4	85%	0.846	80%	0.796	S	S	*	*			trans	51.9	123.6	143.2	-73	173.9	149.9	0	0	123.5
31	D	40.1	Very low	37.7	Very low	143 Å²	143	150.8 Å²	150.8	77%	0.765	80%	0.799	S	S	*	*			trans	33.5	112.9	138.1	-87.2	-23.6	0	0	0	120.2
32	L	36.6	Very low	38.4	Very low	174 Å²	174	148.8 Å²	148.8	91%	0.911	79%	0.793	S	S	*	*			trans	-152.6	109.5	136	-104	140.1	0	0	0	109.3	E34	L32-E34 PolarHBondContact O-N 3.41Å; L32-E34 VanDerWaalsContact O-N 3.14Å
33	M	38.9	Very low	39.2	Very low	175 Å²	175	151 Å²	151	86%	0.862	80%	0.801	S	S	*	*			trans	-52.9	114.3	171.5	-68.1	178.5	68.2	0	0	110.2
34	E	38.1	Very low	39.9	Very low	182 Å²	182	154.2 Å²	154.2	85%	0.85	80%	0.802	S	S	*	*			trans	-71	124.2	173.2	-148.2	164.3	-164.3	0	0	108.7	L32 R36	L32-E34 PolarHBondContact O-N 3.41Å; L32-E34 VanDerWaalsContact O-N 3.14Å; E34-R36 PolarHBondContact O-N 2.73Å; E34-R36 VanDerWaalsContact O-N 3.1Å
35	P	36.8	Very low	40.5	Very low	112 Å²	112	155.5 Å²	155.5	73%	0.727	80%	0.795	S	S	*	*			trans	-70.6	115.5	-175.7	27.5	-30.4	0	0	0	108.1	R37	P35-R37 VanDerWaalsContact C-N 3.3Å; P35-R37 PolarHBondContact O-N 3.11Å
36	R	44.1	Very low	41.6	Very low	243 Å²	243	154.8 Å²	154.8	92%	0.917	79%	0.787	S	S	*	*			trans	-54.8	97.8	164	-88.5	-178.3	172	172	-2.4	108	E34 R38	E34-R36 PolarHBondContact O-N 2.73Å; E34-R36 VanDerWaalsContact O-N 3.1Å; R36-R38 VanDerWaalsContact C-N 3.3Å; R36-R38 PolarHBondContact O-N 3.26Å
37	R	41.7	Very low	42.7	Very low	230 Å²	230	153.5 Å²	153.5	87%	0.868	77%	0.774	S	S	*	*			trans	-59.8	98.5	163.7	-92.4	-178.3	173.4	171.4	-1.7	107	P35 V39	P35-R37 VanDerWaalsContact C-N 3.3Å; P35-R37 PolarHBondContact O-N 3.11Å; R37-V39 VanDerWaalsContact C-N 3.31Å; R37-V39 PolarHBondContact O-N 3.18Å; R37-V39 VanDerWaalsContact O-N 3.07Å
38	R	46.4	Very low	44.1	Very low	227 Å²	227	147.5 Å²	147.5	86%	0.857	74%	0.738	S	S	*	*			trans	-64.5	103.8	153.2	-74.5	-174.3	-175.4	-171.8	1.8	105.3	R36 V40	R36-R38 VanDerWaalsContact C-N 3.3Å; R36-R38 PolarHBondContact O-N 3.26Å; R38-V40 PolarHBondContact O-N 2.91Å
39	V	48.4	Very low	45.6	Very low	110 Å²	110	144.1 Å²	144.1	67%	0.667	72%	0.717	S	S	*	*			trans	-67.1	95.2	159.6	179.6	0	0	0	0	104.8	R37 H41	R37-V39 VanDerWaalsContact C-N 3.31Å; R37-V39 PolarHBondContact O-N 3.18Å; R37-V39 VanDerWaalsContact O-N 3.07Å; V39-H41 PolarHBondContact O-N 3.39Å
40	V	46.8	Very low	47.2	Very low	107 Å²	107	139.3 Å²	139.3	65%	0.648	69%	0.685	S	S	*	*			trans	-69.7	108	160.8	179.8	0	0	0	0	103.9	R38 V42	R38-V40 PolarHBondContact O-N 2.91Å; V40-V42 HydrophobicContact CG1-CG2 4.25Å; V40-V42 PolarHBondContact O-N 3.2Å
41	H	40.5	Very low	49.4	Very low	162 Å²	162	134.5 Å²	134.5	75%	0.75	67%	0.665	S	S	*	*			trans	-63.5	97.7	157.6	-77.5	-78.9	0	0	0	105.4	V39 L43	V39-H41 PolarHBondContact O-N 3.39Å; H41-L43 VanDerWaalsContact C-N 3.28Å; H41-L43 PolarHBondContact O-N 3.35Å
42	V	46.6	Very low	51.4	Low	114 Å²	114	128.4 Å²	128.4	69%	0.691	63%	0.633	S	S	*	*			trans	-63.7	104.8	156.8	-177.8	0	0	0	0	102.7	V40 E44	V40-V42 HydrophobicContact CG1-CG2 4.25Å; V40-V42 PolarHBondContact O-N 3.2Å; V42-E44 PolarHBondContact O-N 3.34Å
43	L	47.3	Very low	53.5	Low	153 Å²	153	125.2 Å²	125.2	80%	0.801	61%	0.613	S	S	*	*			trans	-48.8	125.4	161.6	-78.9	136.2	0	0	0	104.8	H41 D45	H41-L43 VanDerWaalsContact C-N 3.28Å; H41-L43 PolarHBondContact O-N 3.35Å; L43-D45 PolarHBondContact O-N 3.09Å
44	E	47.6	Very low	55.4	Low	185 Å²	185	118.4 Å²	118.4	86%	0.864	58%	0.581	S	S	*	*			trans	-43.4	123.3	167.4	-79	173.4	145.1	0	0	106.7	V42 E46	V42-E44 PolarHBondContact O-N 3.34Å; E44-E46 PolarHBondContact O-N 3.1Å
45	D	47.8	Very low	57.1	Low	130 Å²	130	112.1 Å²	112.1	70%	0.695	56%	0.56	S	S	*	*			trans	-47.6	122.1	176	-73.3	-40.7	0	0	0	106.5	L43 T47	L43-D45 PolarHBondContact O-N 3.09Å; D45-T47 HydrophobicContact CB-CG2 3.77Å; D45-T47 PolarHBondContact O-N 3.3Å
46	E	53.5	Low	58.3	Low	162 Å²	162	113.2 Å²	113.2	76%	0.757	57%	0.568	S	S	*	*			trans	-65.4	76	162.5	-68.7	-167.1	171.2	0	0	106	E44 G48	E44-E46 PolarHBondContact O-N 3.1Å; E46-G48 VanDerWaalsContact C-N 3.31Å; E46-G48 PolarHBondContact O-N 3.28Å
47	T	55.5	Low	59.6	Low	92 Å²	92	104 Å²	104	56%	0.564	55%	0.547	S	S	*	.			trans	-66.6	96.7	177	51.4	0	0	0	0	106.1	D45 A49	D45-T47 HydrophobicContact CB-CG2 3.77Å; D45-T47 PolarHBondContact O-N 3.3Å; T47-A49 PolarHBondContact O-N 2.91Å
48	G	60.3	Low	61.8	Low	5 Å²	5	98 Å²	98	5%	0.052	53%	0.528	C	S	.	.			trans	-70.2	100.4	-177.3	0	0	0	0	0	109.9	E46 E76 N150	E46-G48 VanDerWaalsContact C-N 3.31Å; E46-G48 PolarHBondContact O-N 3.28Å; G48-E76 CarbonylContact C-O 3.39Å; G48-E76 WeakPolarHBondContact CA-O 3.38Å; G48-N150 PolarHBondContact O-ND2 2.73Å
49	A	66.6	Low	64	Low	29 Å²	29	88.7 Å²	88.7	24%	0.24	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	138.2	-175.8	0	0	0	0	0	112	T47 H75 E76 E153	T47-A49 PolarHBondContact O-N 2.91Å; A49-H75 WeakPolarHBondContact O-CA 3.42Å; A49-E76 PolarHBondContact N-O 3.22Å; A49-E76 PolarHBondContact O-N 3.39Å; A49-E153 VanDerWaalsContact CA-OE2 3.29Å; A49-E153 WeakPolarHBondContact CA-OE2 3.48Å
50	V	76.1	Confident	66.2	Low	9 Å²	9	86.8 Å²	86.8	6%	0.055	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.4	170.2	177.5	0	0	0	0	108.6	V52 V148 N150 D155	V50-V52 HydrophobicContact CG1-CG2 4.41Å; V50-V148 HydrophobicContact CG1-CB 4.15Å; V50-V148 HydrophobicContact CG1-CG1 3.97Å; V50-N150 HydrophobicContact CG2-CB 3.71Å; V50-N150 VanDerWaalsContact CG2-CG 3.46Å; V50-N150 WeakPolarHBondContact CG2-ND2 3.26Å; V50-D155 HydrophobicContact CG1-CB 4.5Å; V50-D155 VanDerWaalsContact O-CB 3.29Å; V50-D155 WeakPolarHBondContact O-CB 3.17Å
51	I	78.7	Confident	68.5	Low	81 Å²	81	82.2 Å²	82.2	42%	0.415	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.4	176.6	-55.7	172.7	0	0	0	108.4	Q53 F73 H74 D155	I51-Q53 HydrophobicContact CG2-CG 4.47Å; I51-F73 CarbonylContact O-C 3.52Å; I51-F73 VanDerWaalsContact O-CA 3.22Å; I51-F73 WeakPolarHBondContact O-CA 3.39Å; I51-H74 PolarHBondContact N-O 3.42Å; I51-H74 PolarHBondContact O-N 3.07Å; I51-D155 WeakPolarHBondContact CA-OD2 3.27Å
52	V	80.1	Confident	71	Confident	15 Å²	15	77.5 Å²	77.5	9%	0.091	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126.7	176.7	172.9	0	0	0	0	110	V50 T54 F73 V148 D155	V50-V52 HydrophobicContact CG1-CG2 4.41Å; V52-T54 HydrophobicContact CG1-CG2 4.26Å; V52-F73 HydrophobicContact CG2-CB 4.14Å; V52-V148 HydrophobicContact CG2-CB 3.65Å; V52-V148 HydrophobicContact CG2-CG2 3.69Å; V52-D155 HydrophobicContact CB-CB 4.18Å; V52-D155 HydrophobicContact CG2-CB 3.94Å; V52-D155 WeakPolarHBondContact CG2-O 3.41Å; V52-D155 PolarHBondContact N-OD2 3.09Å
53	Q	82	Confident	73.3	Confident	107 Å²	107	75.8 Å²	75.8	50%	0.5	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	99.6	175.2	-64.4	-177	-2.3	0	0	109.1	I51 R72	I51-Q53 HydrophobicContact CG2-CG 4.47Å; Q53-R72 CarbonylContact C-O 3.59Å; Q53-R72 WeakPolarHBondContact CA-O 3.46Å; Q53-R72 PolarHBondContact N-O 3.37Å; Q53-R72 PolarHBondContact O-N 3.47Å; Q53-R72 VanDerWaalsContact O-O 3.14Å
54	T	79.6	Confident	75.5	Confident	32 Å²	32	70.6 Å²	70.6	20%	0.196	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	143.6	165.6	48.8	0	0	0	0	110	V52 C71 C146 F158 V159	V52-T54 HydrophobicContact CG1-CG2 4.26Å; T54-C71 HydrophobicContact CG2-CB 4.08Å; T54-C146 HydrophobicContact CG2-CB 4.33Å; T54-F158 PolarHBondContact OG1-N 3.43Å; T54-F158 PolarHBondContact OG1-O 3.48Å; T54-V159 HydrophobicContact CG2-CG2 3.96Å
55	A	72.1	Confident	77.7	Confident	50 Å²	50	62.2 Å²	62.2	41%	0.413	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-59.5	126.1	174.4	0	0	0	0	0	109.2	G57 P70	A55-G57 PolarHBondContact O-N 3.23Å; A55-P70 HydrophobicContact CB-CB 4.08Å; A55-P70 HydrophobicContact CB-CG 3.61Å
56	P	62.3	Low	80	Confident	135 Å²	135	59.3 Å²	59.3	88%	0.877	35%	0.352	S	S	*	.	S	Bend	trans	-65.1	127.7	-179.4	24.4	-31.8	0	0	0	110
57	G	71.3	Confident	82	Confident	48 Å²	48	53 Å²	53	50%	0.495	32%	0.323	S	S	.	.	S	Bend	trans	125.1	-137.6	167.6	0	0	0	0	0	114.8	A55	A55-G57 PolarHBondContact O-N 3.23Å
58	K	87.7	Confident	84	Confident	106 Å²	106	50.6 Å²	50.6	46%	0.461	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	122	-162.9	-178.4	-179.5	-179.5	-179.1	0	108.7	V60 N160 D162	K58-V60 HydrophobicContact CG-CG2 4.27Å; K58-N160 WeakPolarHBondContact CA-O 3.43Å; K58-D162 HydrophobicContact CD-CB 4.1Å; K58-D162 WeakPolarHBondContact CE-OD2 3.31Å; K58-D162 HydrophobicContact CG-CB 3.99Å; K58-D162 VanDerWaalsContact NZ-CG 3.31Å; K58-D162 IonicContact NZ-OD2 2.81Å; K58-D162 PolarHBondContact NZ-OD2 3.43Å
59	V	93.9	Very high	85.7	Confident	30 Å²	30	50.3 Å²	50.3	18%	0.182	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	137	172.1	-62.7	0	0	0	0	108.6	I67 L69 P70 V159 N160 L161 D162	V59-I67 HydrophobicContact CB-CD1 4.19Å; V59-I67 HydrophobicContact CB-CG1 4.09Å; V59-I67 HydrophobicContact CG2-CG1 3.99Å; V59-L69 HydrophobicContact CG2-CD2 3.78Å; V59-P70 HydrophobicContact CG1-CG 4.37Å; V59-V159 HydrophobicContact CG1-CG1 4.25Å; V59-V159 HydrophobicContact CG2-CG1 3.92Å; V59-N160 PolarHBondContact N-O 3.49Å; V59-L161 HydrophobicContact CG2-CB 4.3Å; V59-D162 PolarHBondContact O-N 3.32Å
60	V	94.4	Very high	87	Confident	71 Å²	71	50.6 Å²	50.6	43%	0.43	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.2	-175	-173.6	0	0	0	0	109.2	K58 D162 E164	K58-V60 HydrophobicContact CG-CG2 4.27Å; V60-D162 WeakPolarHBondContact CA-O 3.39Å; V60-D162 HydrophobicContact CG2-CB 4.35Å; V60-E164 HydrophobicContact CG1-CG 3.76Å
61	T	95.2	Very high	87.9	Confident	11 Å²	11	50.1 Å²	50.1	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	-171	172.5	-166.2	0	0	0	0	110.2	S66 I67 V136 L161 D162 L163 E164	T61-S66 PolarHBondContact OG1-O 3.26Å; T61-I67 HydrophobicContact CG2-CB 3.95Å; T61-I67 HydrophobicContact CG2-CG1 4.41Å; T61-I67 HydrophobicContact CG2-CG2 4.04Å; T61-V136 HydrophobicContact CG2-CB 4.17Å; T61-V136 HydrophobicContact CG2-CG1 3.88Å; T61-V136 HydrophobicContact CG2-CG2 4.06Å; T61-L161 HydrophobicContact CG2-CD2 4.43Å; T61-D162 PolarHBondContact N-O 2.9Å; T61-L163 HydrophobicContact CG2-CD2 3.74Å; T61-L163 CarbonylContact O-C 3.53Å; T61-L163 VanDerWaalsContact O-CA 3.32Å; T61-L163 WeakPolarHBondContact O-CA 3.27Å; T61-E164 PolarHBondContact O-N 2.75Å
62	H	92.9	Very high	88.5	Confident	63 Å²	63	53.4 Å²	53.4	29%	0.292	31%	0.31	S	S	.	.			trans	-125.4	159.5	174.3	58.8	-84.1	0	0	0	110.2	G64 G65 K263	H62-G64 PolarHBondContact O-N 2.86Å; H62-G65 WeakPolarHBondContact O-CA 3.32Å; H62-G65 PolarHBondContact O-N 3.21Å; H62-K263 HydrophobicContact CB-CB 4.42Å
63	R	94.4	Very high	89	Confident	78 Å²	78	53.6 Å²	53.6	29%	0.294	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	133.1	175.3	-176.6	-178.7	-176.1	177	2.2	111.3	G65 V136 D192 S262	R63-G65 PolarHBondContact O-N 2.98Å; R63-V136 CarbonylContact C-O 3.6Å; R63-V136 WeakPolarHBondContact CA-O 3.3Å; R63-D192 IonicContact CZ-OD1 2.65Å; R63-D192 VanDerWaalsContact NH1-CG 3.25Å; R63-D192 IonicContact NH1-OD1 3.12Å; R63-D192 PolarHBondContact NH1-OD1 2.98Å; R63-D192 IonicContact NH1-OD2 3.14Å; R63-D192 PolarHBondContact NH1-OD2 3.38Å; R63-D192 VanDerWaalsContact NH1-OD2 3.1Å; R63-D192 IonicContact NH2-OD1 3.39Å; R63-D192 PolarHBondContact NH2-OD1 3.1Å; R63-D192 VanDerWaalsContact NH2-OD1 3.08Å; R63-S262 PolarHBondContact N-OG 2.49Å
64	G	93.9	Very high	89.1	Confident	43 Å²	43	53.2 Å²	53.2	44%	0.443	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-8.4	-173.5	0	0	0	0	0	114.4	H62 V136	H62-G64 PolarHBondContact O-N 2.86Å; G64-V136 PolarHBondContact N-O 3.43Å
65	G	93.9	Very high	89	Confident	9 Å²	9	52.7 Å²	52.7	9%	0.093	30%	0.303	C	S	.	.			trans	-73.5	-178.2	176.6	0	0	0	0	0	113	H62 R63 N135 V136	H62-G65 WeakPolarHBondContact O-CA 3.32Å; H62-G65 PolarHBondContact O-N 3.21Å; R63-G65 PolarHBondContact O-N 2.98Å; G65-N135 WeakPolarHBondContact O-CA 2.88Å; G65-N135 PolarHBondContact O-N 2.74Å; G65-V136 WeakPolarHBondContact O-CG2 3.44Å; G65-V136 PolarHBondContact O-N 2.9Å
66	S	96.2	Very high	89.1	Confident	69 Å²	69	56.9 Å²	56.9	48%	0.483	31%	0.314	S	S	.	.			trans	-121.5	148.5	169.4	-58.1	0	0	0	0	109.2	T61 I133	T61-S66 PolarHBondContact OG1-O 3.26Å; S66-I133 CarbonylContact C-O 3.08Å; S66-I133 WeakPolarHBondContact CA-O 2.77Å
67	I	96.1	Very high	89.6	Confident	29 Å²	29	53.5 Å²	53.5	15%	0.149	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	144.3	-179.6	-166.6	59.5	0	0	0	110.5	V59 T61 I132 I133 V136 L161	V59-I67 HydrophobicContact CB-CD1 4.19Å; V59-I67 HydrophobicContact CB-CG1 4.09Å; V59-I67 HydrophobicContact CG2-CG1 3.99Å; T61-I67 HydrophobicContact CG2-CB 3.95Å; T61-I67 HydrophobicContact CG2-CG1 4.41Å; T61-I67 HydrophobicContact CG2-CG2 4.04Å; I67-I132 CarbonylContact O-C 3.58Å; I67-I132 WeakPolarHBondContact O-CA 3.24Å; I67-I133 HydrophobicContact CG2-CB 4.21Å; I67-I133 PolarHBondContact N-O 3.39Å; I67-I133 PolarHBondContact O-N 3.03Å; I67-V136 HydrophobicContact CG2-CG2 3.93Å; I67-L161 HydrophobicContact CG2-CD1 3.76Å; I67-L161 HydrophobicContact CG2-CG 4.37Å
68	T	95.8	Very high	89.4	Confident	42 Å²	42	60 Å²	60	26%	0.258	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.8	170.5	-58.5	0	0	0	0	108.9	P70 E122 V131	T68-P70 VanDerWaalsContact O-CD 3.27Å; T68-P70 WeakPolarHBondContact O-CD 3.39Å; T68-E122 WeakPolarHBondContact CG2-OE2 3.42Å; T68-V131 CarbonylContact C-O 3.49Å; T68-V131 WeakPolarHBondContact CA-O 3.31Å
69	L	96.2	Very high	88.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	102.9	165.1	-57.1	-171.8	0	0	0	108	V59 C71 W89 S130 V131 I133 Y144 V159 L161	V59-L69 HydrophobicContact CG2-CD2 3.78Å; L69-C71 PolarHBondContact O-N 3.48Å; L69-W89 HydrophobicContact CB-CH2 3.42Å; L69-W89 VanDerWaalsContact CB-CH2 3.42Å; L69-W89 HydrophobicContact CB-CZ2 3.9Å; L69-W89 HydrophobicContact CB-CZ3 3.81Å; L69-W89 HydrophobicContact CD1-CE3 4.02Å; L69-W89 HydrophobicContact CD1-CH2 4.29Å; L69-W89 HydrophobicContact CD1-CZ3 3.79Å; L69-W89 HydrophobicContact CG-CZ3 4.46Å; L69-W89 WeakPolarHBondContact O-CZ2 3.41Å; L69-S130 VanDerWaalsContact O-CA 3.28Å; L69-S130 WeakPolarHBondContact O-CA 3.32Å; L69-S130 WeakPolarHBondContact O-CB 3.36Å; L69-V131 HydrophobicContact CB-CG2 3.96Å; L69-V131 HydrophobicContact CD1-CG2 4.08Å; L69-V131 HydrophobicContact CG-CG2 4.23Å; L69-V131 PolarHBondContact N-O 3.42Å; L69-V131 PolarHBondContact O-N 3.39Å; L69-I133 HydrophobicContact CD1-CD1 3.74Å; L69-I133 HydrophobicContact CD1-CG1 4.44Å; L69-I133 HydrophobicContact CG-CD1 4.11Å; L69-I133 HydrophobicContact CG-CG1 4.44Å; L69-Y144 HydrophobicContact CD1-CD1 3.82Å; L69-Y144 HydrophobicContact CD1-CD2 3.99Å; L69-Y144 HydrophobicContact CD1-CE1 4.35Å; L69-Y144 HydrophobicContact CD1-CG 3.61Å; L69-V159 HydrophobicContact CB-CG1 4.46Å; L69-V159 HydrophobicContact CD2-CG1 3.96Å; L69-L161 HydrophobicContact CD2-CB 4.26Å; L69-L161 HydrophobicContact CD2-CD1 4.18Å
70	P	95.1	Very high	87.3	Confident	34 Å²	34	63 Å²	63	22%	0.221	33%	0.331	C	S	.	.			trans	-74	125.6	-173	29.2	-35.6	0	0	0	111.3	A55 V59 T68 S130 V159	A55-P70 HydrophobicContact CB-CB 4.08Å; A55-P70 HydrophobicContact CB-CG 3.61Å; V59-P70 HydrophobicContact CG1-CG 4.37Å; T68-P70 VanDerWaalsContact O-CD 3.27Å; T68-P70 WeakPolarHBondContact O-CD 3.39Å; P70-S130 WeakPolarHBondContact CA-OG 3.42Å; P70-V159 WeakPolarHBondContact O-CG2 3.36Å
71	C	93.9	Very high	86.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	117	171.9	-177.2	0	0	0	0	108.9	T54 L69 W89 A129 S130 C146	T54-C71 HydrophobicContact CG2-CB 4.08Å; L69-C71 PolarHBondContact O-N 3.48Å; C71-W89 HydrophobicContact CB-CH2 3.97Å; C71-W89 HydrophobicContact CB-CZ2 3.4Å; C71-A129 HydrophobicContact CB-CB 4.1Å; C71-A129 CarbonylContact O-C 3.49Å; C71-A129 WeakPolarHBondContact O-CA 3.46Å; C71-A129 PolarHBondContact O-N 2.92Å; C71-S130 PolarHBondContact N-OG 2.81Å; C71-S130 PolarHBondContact O-N 3.13Å; C71-S130 VanDerWaalsContact O-N 3.15Å; C71-S130 PolarHBondContact O-OG 3.01Å; C71-C146 HydrophobicContact CB-CB 3.72Å; C71-C146 WeakPolarHBondContact CB-SG 3.18Å; C71-C146 WeakPolarHBondContact SG-CB 3.48Å; C71-C146 CovalentContact SG-SG 2.04Å; C71-C146 PolarHBondContact SG-SG 3.11Å
72	R	92.3	Very high	85.5	Confident	150 Å²	150	67.6 Å²	67.6	57%	0.566	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	152.3	171.5	-69.8	-167.2	173.8	-164.5	-2.7	109.4	Q53 G127	Q53-R72 CarbonylContact C-O 3.59Å; Q53-R72 WeakPolarHBondContact CA-O 3.46Å; Q53-R72 PolarHBondContact N-O 3.37Å; Q53-R72 PolarHBondContact O-N 3.47Å; Q53-R72 VanDerWaalsContact O-O 3.14Å; R72-G127 CarbonylContact C-O 3.52Å; R72-G127 VanDerWaalsContact CA-O 3.27Å; R72-G127 WeakPolarHBondContact CA-O 3.43Å
73	F	89	Confident	84.8	Confident	18 Å²	18	67 Å²	67	8%	0.079	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.9	174.7	68.4	-88.2	0	0	0	110.4	I51 V52 I85 I87 G127 A129 V148	I51-F73 CarbonylContact O-C 3.52Å; I51-F73 VanDerWaalsContact O-CA 3.22Å; I51-F73 WeakPolarHBondContact O-CA 3.39Å; V52-F73 HydrophobicContact CG2-CB 4.14Å; F73-I85 HydrophobicContact CE2-CD1 3.59Å; F73-I85 HydrophobicContact CE2-CG2 3.98Å; F73-I85 HydrophobicContact CZ-CD1 3.98Å; F73-I85 HydrophobicContact CZ-CG2 3.85Å; F73-I87 HydrophobicContact CE1-CD1 4.23Å; F73-G127 WeakPolarHBondContact CD1-O 3.45Å; F73-G127 PolarHBondContact N-O 1.98Å; F73-G127 VanDerWaalsContact O-CA 3.3Å; F73-G127 WeakPolarHBondContact O-CA 3.12Å; F73-A129 HydrophobicContact CD1-CB 3.78Å; F73-A129 HydrophobicContact CE1-CB 4.02Å; F73-V148 HydrophobicContact CB-CB 4.41Å; F73-V148 HydrophobicContact CB-CG1 4.25Å; F73-V148 HydrophobicContact CB-CG2 4.16Å; F73-V148 HydrophobicContact CD1-CG1 4.08Å; F73-V148 HydrophobicContact CD1-CG2 4Å; F73-V148 HydrophobicContact CD2-CG1 3.98Å; F73-V148 HydrophobicContact CE1-CG1 4.44Å; F73-V148 HydrophobicContact CE2-CG1 4.37Å; F73-V148 HydrophobicContact CG-CB 4.44Å; F73-V148 HydrophobicContact CG-CG1 3.82Å; F73-V148 HydrophobicContact CG-CG2 4.19Å
74	H	85.3	Confident	84.2	Confident	100 Å²	100	69.9 Å²	69.9	46%	0.463	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.8	174	-65.8	-76.5	0	0	0	108.4	I51	I51-H74 PolarHBondContact N-O 3.42Å; I51-H74 PolarHBondContact O-N 3.07Å
75	H	77.7	Confident	83.8	Confident	20 Å²	20	68.8 Å²	68.8	9%	0.093	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.5	179.5	175.1	-63.5	0	0	0	108.9	A49 P77 E78 T80 N150	A49-H75 WeakPolarHBondContact O-CA 3.42Å; H75-P77 PolarHBondContact CE1-O 3.43Å; H75-P77 PolarHBondContact ND1-O 3.49Å; H75-P77 CarbonylContact O-C 3.51Å; H75-E78 PolarHBondContact O-N 3.42Å; H75-T80 PolarHBondContact CE1-OG1 2.77Å; H75-T80 PolarHBondContact ND1-OG1 3.26Å; H75-T80 PolarHBondContact NE2-OG1 3.15Å; H75-N150 PolarHBondContact CD2-ND2 3.41Å; H75-N150 PolarHBondContact NE2-ND2 2.98Å
76	E	74.4	Confident	83.8	Confident	138 Å²	138	73.3 Å²	73.3	65%	0.645	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.5	172	-69.1	-172.7	173	0	0	109.7	G48 A49	G48-E76 CarbonylContact C-O 3.39Å; G48-E76 WeakPolarHBondContact CA-O 3.38Å; A49-E76 PolarHBondContact N-O 3.22Å; A49-E76 PolarHBondContact O-N 3.39Å
77	P	72.1	Confident	83.7	Confident	64 Å²	64	70.7 Å²	70.7	42%	0.416	35%	0.353	S	S	.	.	S	Bend	cis	-73.9	148.4	-2.5	29.4	-35.2	0	0	0	113.1	H75 N79	H75-P77 PolarHBondContact CE1-O 3.43Å; H75-P77 PolarHBondContact ND1-O 3.49Å; H75-P77 CarbonylContact O-C 3.51Å; P77-N79 PolarHBondContact O-N 3.18Å
78	E	67.5	Low	83.7	Confident	185 Å²	185	71 Å²	71	86%	0.864	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-4.9	-175.7	-69.3	-173.8	159	0	0	115.3	H75 T80	H75-E78 PolarHBondContact O-N 3.42Å; E78-T80 VanDerWaalsContact C-N 3.35Å; E78-T80 PolarHBondContact O-N 3.02Å
79	N	65.9	Low	83.7	Confident	159 Å²	159	69 Å²	69	85%	0.85	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	13.7	-172.2	-142.8	8.1	0	0	0	114.3	P77	P77-N79 PolarHBondContact O-N 3.18Å
80	T	70.2	Confident	83.7	Confident	39 Å²	39	69 Å²	69	24%	0.239	34%	0.342	C	S	.	.	S	Bend	trans	-70	135.6	176.2	-65.2	0	0	0	0	111.3	H75 E78 P82	H75-T80 PolarHBondContact CE1-OG1 2.77Å; H75-T80 PolarHBondContact ND1-OG1 3.26Å; H75-T80 PolarHBondContact NE2-OG1 3.15Å; E78-T80 VanDerWaalsContact C-N 3.35Å; E78-T80 PolarHBondContact O-N 3.02Å; T80-P82 WeakPolarHBondContact O-CD 3.38Å; T80-P82 VanDerWaalsContact O-N 3.16Å
81	D	76.1	Confident	83.8	Confident	82 Å²	82	68.8 Å²	68.8	44%	0.439	34%	0.337	S	S	.	.			trans	-59.3	115.2	176.1	179.1	4.2	0	0	0	110.3	A83 R84	D81-A83 PolarHBondContact O-N 3.08Å; D81-A83 WeakPolarHBondContact OD1-CB 3.42Å; D81-A83 PolarHBondContact OD1-N 3.01Å; D81-R84 HydrophobicContact CB-CG 4.15Å; D81-R84 PolarHBondContact O-N 3.17Å
82	P	75.5	Confident	83.7	Confident	97 Å²	97	70.4 Å²	70.4	63%	0.63	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-58.6	-19.9	178.9	-23.8	34.6	0	0	0	113.3	T80 R84 I85	T80-P82 WeakPolarHBondContact O-CD 3.38Å; T80-P82 VanDerWaalsContact O-N 3.16Å; P82-R84 PolarHBondContact O-N 2.99Å; P82-I85 PolarHBondContact O-N 3Å
83	A	78.8	Confident	83.3	Confident	51 Å²	51	66.7 Å²	66.7	42%	0.421	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-66.8	-19.8	176.2	0	0	0	0	0	113.4	D81	D81-A83 PolarHBondContact O-N 3.08Å; D81-A83 WeakPolarHBondContact OD1-CB 3.42Å; D81-A83 PolarHBondContact OD1-N 3.01Å
84	R	81.5	Confident	82.7	Confident	138 Å²	138	70.5 Å²	70.5	52%	0.521	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-92	-10.8	180	-57.7	-166.4	-174.6	179.6	-1.6	113.8	D81 P82 R86 D151	D81-R84 HydrophobicContact CB-CG 4.15Å; D81-R84 PolarHBondContact O-N 3.17Å; P82-R84 PolarHBondContact O-N 2.99Å; R84-R86 PolarHBondContact O-N 3.46Å; R84-D151 WeakPolarHBondContact CD-OD2 3.35Å; R84-D151 IonicContact CZ-OD2 3.66Å; R84-D151 IonicContact NE-OD2 3.76Å; R84-D151 IonicContact NH1-OD2 2.79Å; R84-D151 PolarHBondContact NH1-OD2 3.03Å
85	I	87.2	Confident	82.1	Confident	20 Å²	20	69.8 Å²	69.8	10%	0.103	37%	0.374	C	S	.	.			trans	-78.1	121.4	-179.7	-54.8	-176	0	0	0	108.8	F73 P82 I87 V148	F73-I85 HydrophobicContact CE2-CD1 3.59Å; F73-I85 HydrophobicContact CE2-CG2 3.98Å; F73-I85 HydrophobicContact CZ-CD1 3.98Å; F73-I85 HydrophobicContact CZ-CG2 3.85Å; P82-I85 PolarHBondContact O-N 3Å; I85-I87 HydrophobicContact CG2-CG1 4.46Å; I85-V148 HydrophobicContact CG2-CG1 3.63Å
86	R	91.9	Very high	81.9	Confident	104 Å²	104	76.4 Å²	76.4	39%	0.392	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.4	173.2	-178.1	178.7	164.6	-176.5	-8.3	109	R84 A104 L105 V148 T149	R84-R86 PolarHBondContact O-N 3.46Å; R86-A104 CarbonylContact C-O 3.54Å; R86-A104 WeakPolarHBondContact CA-O 3.38Å; R86-L105 HydrophobicContact CB-CD1 4.04Å; R86-V148 WeakPolarHBondContact O-CA 3.31Å; R86-T149 PolarHBondContact N-O 3.08Å; R86-T149 PolarHBondContact O-N 3.11Å
87	I	94.1	Very high	82.3	Confident	14 Å²	14	75.6 Å²	75.6	7%	0.072	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.5	172.4	-62.7	160.7	0	0	0	107.3	F73 I85 V103 A104 L121 A129 V148	F73-I87 HydrophobicContact CE1-CD1 4.23Å; I85-I87 HydrophobicContact CG2-CG1 4.46Å; I87-V103 CarbonylContact O-C 3.4Å; I87-V103 VanDerWaalsContact O-CA 3.29Å; I87-V103 WeakPolarHBondContact O-CA 3.43Å; I87-A104 HydrophobicContact CB-CB 4.49Å; I87-A104 PolarHBondContact N-O 3.17Å; I87-A104 PolarHBondContact O-N 2.63Å; I87-L121 HydrophobicContact CD1-CD1 4.42Å; I87-A129 HydrophobicContact CD1-CB 3.89Å; I87-A129 HydrophobicContact CG1-CB 3.96Å; I87-A129 HydrophobicContact CG2-CB 3.77Å; I87-V148 HydrophobicContact CG1-CG2 4.47Å
88	K	96.3	Very high	83.2	Confident	36 Å²	36	77.2 Å²	77.2	16%	0.157	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.3	176.8	173.7	170.5	165	-119.9	0	109.8	T90 D100 F102 V103 E147	K88-T90 HydrophobicContact CD-CG2 4.37Å; K88-T90 VanDerWaalsContact CE-CG2 3.46Å; K88-T90 HydrophobicContact CG-CG2 4.05Å; K88-D100 VanDerWaalsContact CE-OD1 3.27Å; K88-D100 WeakPolarHBondContact CE-OD1 3.23Å; K88-F102 WeakPolarHBondContact CA-O 3.36Å; K88-V103 HydrophobicContact CB-CG2 4.19Å; K88-V103 HydrophobicContact CD-CG2 4.26Å; K88-V103 HydrophobicContact CG-CG2 3.92Å; K88-E147 HydrophobicContact CB-CB 4.25Å; K88-E147 PolarHBondContact N-O 3.13Å; K88-E147 IonicContact NZ-OE2 3.57Å; K88-E147 PolarHBondContact NZ-OE2 2.92Å; K88-E147 PolarHBondContact O-N 3Å
89	W	97.3	Very high	84.5	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.2	170	-79.3	88.9	0	0	0	109.6	L69 C71 V101 F102 A129 V131 E145 C146 V159	L69-W89 HydrophobicContact CB-CH2 3.42Å; L69-W89 VanDerWaalsContact CB-CH2 3.42Å; L69-W89 HydrophobicContact CB-CZ2 3.9Å; L69-W89 HydrophobicContact CB-CZ3 3.81Å; L69-W89 HydrophobicContact CD1-CE3 4.02Å; L69-W89 HydrophobicContact CD1-CH2 4.29Å; L69-W89 HydrophobicContact CD1-CZ3 3.79Å; L69-W89 HydrophobicContact CG-CZ3 4.46Å; L69-W89 WeakPolarHBondContact O-CZ2 3.41Å; C71-W89 HydrophobicContact CB-CH2 3.97Å; C71-W89 HydrophobicContact CB-CZ2 3.4Å; W89-V101 HydrophobicContact CB-CB 4.24Å; W89-V101 WeakPolarHBondContact O-CB 3.38Å; W89-V101 PolarHBondContact O-N 2.88Å; W89-F102 HydrophobicContact CB-CB 4.21Å; W89-F102 PolarHBondContact N-O 3.36Å; W89-F102 PolarHBondContact O-N 2.7Å; W89-A129 PolarHBondContact NE1-O 2.59Å; W89-V131 VanDerWaalsContact CD1-CG1 3.41Å; W89-V131 HydrophobicContact CD2-CG2 3.79Å; W89-V131 HydrophobicContact CE3-CG2 4.44Å; W89-V131 HydrophobicContact CG-CG1 4.15Å; W89-V131 HydrophobicContact CG-CG2 3.92Å; W89-V131 HydrophobicContact CZ2-CG2 4.09Å; W89-E145 VanDerWaalsContact CA-O 3.28Å; W89-E145 WeakPolarHBondContact CA-O 3.28Å; W89-C146 HydrophobicContact CD2-CB 4.06Å; W89-C146 HydrophobicContact CE3-CB 4.1Å; W89-C146 HydrophobicContact CH2-CB 3.73Å; W89-C146 HydrophobicContact CZ2-CB 3.69Å; W89-C146 HydrophobicContact CZ3-CB 3.93Å; W89-V159 HydrophobicContact CH2-CB 4.42Å; W89-V159 HydrophobicContact CH2-CG2 3.91Å; W89-V159 HydrophobicContact CZ3-CB 4.39Å; W89-V159 HydrophobicContact CZ3-CG2 4.29Å
90	T	96.4	Very high	85.9	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.006	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	151.5	172.5	65.1	0	0	0	0	110.1	K88 F98 E99 Y144 E145	K88-T90 HydrophobicContact CD-CG2 4.37Å; K88-T90 VanDerWaalsContact CE-CG2 3.46Å; K88-T90 HydrophobicContact CG-CG2 4.05Å; T90-F98 HydrophobicContact CG2-CB 4.43Å; T90-E99 CarbonylContact C-O 3.57Å; T90-E99 VanDerWaalsContact CA-O 3.23Å; T90-E99 WeakPolarHBondContact CA-O 3.49Å; T90-Y144 CarbonylContact O-C 3.52Å; T90-Y144 VanDerWaalsContact O-CA 3.25Å; T90-Y144 WeakPolarHBondContact O-CA 3.35Å; T90-E145 PolarHBondContact N-O 2.93Å; T90-E145 PolarHBondContact O-N 2.87Å; T90-E145 WeakPolarHBondContact OG1-CB 3.22Å; T90-E145 PolarHBondContact OG1-OE2 3.2Å
91	K	95.9	Very high	87.2	Confident	29 Å²	29	65.5 Å²	65.5	13%	0.126	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.9	166.9	-173.4	-171.6	176.8	-165.9	0	108.4	T93 F98 E99 V101 Y115 E139 Y141 Y144	K91-T93 PolarHBondContact O-N 3.39Å; K91-F98 CarbonylContact O-C 3.58Å; K91-F98 WeakPolarHBondContact O-CA 3.08Å; K91-E99 HydrophobicContact CB-CB 4.4Å; K91-E99 PolarHBondContact N-O 2.97Å; K91-E99 PolarHBondContact O-N 3.12Å; K91-V101 HydrophobicContact CB-CG2 3.97Å; K91-Y115 WeakPolarHBondContact CD-OH 3.32Å; K91-E139 PolarHBondContact NZ-O 3.15Å; K91-Y141 WeakPolarHBondContact CE-O 3.19Å; K91-Y141 PolarHBondContact NZ-O 2.75Å; K91-Y144 HydrophobicContact CB-CD1 3.98Å; K91-Y144 HydrophobicContact CB-CE1 3.74Å; K91-Y144 HydrophobicContact CD-CE1 4.37Å; K91-Y144 HydrophobicContact CG-CD1 4.3Å; K91-Y144 HydrophobicContact CG-CE1 3.93Å; K91-Y144 HydrophobicContact CG-CE2 4.4Å
92	V	92.5	Very high	88.3	Confident	33 Å²	33	61.6 Å²	61.6	20%	0.2	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	114	174.5	-170.9	0	0	0	0	108.3	D94 F98 R143 F158	V92-D94 WeakPolarHBondContact CG1-O 3.43Å; V92-F98 HydrophobicContact CG1-CE1 4.38Å; V92-F98 HydrophobicContact CG2-CD1 4.03Å; V92-F98 HydrophobicContact CG2-CE1 3.8Å; V92-R143 HydrophobicContact CB-CB 4.28Å; V92-R143 HydrophobicContact CG2-CB 4.37Å; V92-R143 HydrophobicContact CG2-CG 4.19Å; V92-R143 PolarHBondContact N-O 3.14Å; V92-F158 HydrophobicContact CG2-CE1 4.35Å
93	T	84.3	Confident	89.3	Confident	73 Å²	73	58.4 Å²	58.4	45%	0.448	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-31.8	-179.9	57.5	0	0	0	0	112.3	K91 Q97 E99	K91-T93 PolarHBondContact O-N 3.39Å; T93-Q97 PolarHBondContact N-O 2.04Å; T93-Q97 WeakPolarHBondContact OG1-CB 3.36Å; T93-Q97 PolarHBondContact OG1-O 2.92Å; T93-Q97 VanDerWaalsContact OG1-O 3.1Å; T93-E99 HydrophobicContact CG2-CB 4.15Å
94	D	75.9	Confident	90	Very high	97 Å²	97	56.2 Å²	56.2	52%	0.519	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	172.3	172.5	-163.3	-1.3	0	0	0	108.6	V92 L96 Q97	V92-D94 WeakPolarHBondContact CG1-O 3.43Å; D94-L96 PolarHBondContact O-N 2.9Å; D94-Q97 HydrophobicContact CB-CB 3.96Å; D94-Q97 HydrophobicContact CB-CG 4.23Å; D94-Q97 PolarHBondContact N-O 2.91Å; D94-Q97 PolarHBondContact O-N 2.98Å; D94-Q97 VanDerWaalsContact O-N 3.11Å
95	A	72.1	Confident	90.4	Very high	86 Å²	86	53.5 Å²	53.5	71%	0.711	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.1	-178.6	0	0	0	0	0	114.1
96	L	74.9	Confident	90.2	Very high	159 Å²	159	54.4 Å²	54.4	83%	0.832	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.6	5.9	-179.7	-60.9	174.8	0	0	0	113.3	D94	D94-L96 PolarHBondContact O-N 2.9Å
97	Q	82.6	Confident	89.7	Confident	120 Å²	120	59.2 Å²	59.2	56%	0.561	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.8	-176	-65.2	-173.3	-6	0	0	110.9	T93 D94	T93-Q97 PolarHBondContact N-O 2.04Å; T93-Q97 WeakPolarHBondContact OG1-CB 3.36Å; T93-Q97 PolarHBondContact OG1-O 2.92Å; T93-Q97 VanDerWaalsContact OG1-O 3.1Å; D94-Q97 HydrophobicContact CB-CB 3.96Å; D94-Q97 HydrophobicContact CB-CG 4.23Å; D94-Q97 PolarHBondContact N-O 2.91Å; D94-Q97 PolarHBondContact O-N 2.98Å; D94-Q97 VanDerWaalsContact O-N 3.11Å
98	F	90.8	Very high	89.5	Confident	98 Å²	98	65.8 Å²	65.8	43%	0.43	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.3	-176.9	-61.5	-97.7	0	0	0	108.6	T90 K91 V92	T90-F98 HydrophobicContact CG2-CB 4.43Å; K91-F98 CarbonylContact O-C 3.58Å; K91-F98 WeakPolarHBondContact O-CA 3.08Å; V92-F98 HydrophobicContact CG1-CE1 4.38Å; V92-F98 HydrophobicContact CG2-CD1 4.03Å; V92-F98 HydrophobicContact CG2-CE1 3.8Å
99	E	94.7	Very high	89.4	Confident	71 Å²	71	68.7 Å²	68.7	33%	0.332	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123	171.6	-175.4	-177.5	175.7	0	0	108.8	T90 K91 T93 V101	T90-E99 CarbonylContact C-O 3.57Å; T90-E99 VanDerWaalsContact CA-O 3.23Å; T90-E99 WeakPolarHBondContact CA-O 3.49Å; K91-E99 HydrophobicContact CB-CB 4.4Å; K91-E99 PolarHBondContact N-O 2.97Å; K91-E99 PolarHBondContact O-N 3.12Å; T93-E99 HydrophobicContact CG2-CB 4.15Å; E99-V101 PolarHBondContact O-N 3.11Å
100	D	95.9	Very high	89.3	Confident	67 Å²	67	75.9 Å²	75.9	36%	0.358	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	130.7	174	-74.3	-35	0	0	0	110.1	K88 F112	K88-D100 VanDerWaalsContact CE-OD1 3.27Å; K88-D100 WeakPolarHBondContact CE-OD1 3.23Å; D100-F112 HydrophobicContact CB-CB 4.2Å; D100-F112 HydrophobicContact CB-CD1 4.2Å; D100-F112 HydrophobicContact CB-CD2 3.96Å; D100-F112 HydrophobicContact CB-CE2 4.35Å; D100-F112 HydrophobicContact CB-CG 3.87Å; D100-F112 WeakPolarHBondContact O-CB 3.23Å
101	V	97.3	Very high	89.4	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-54.2	179	175	0	0	0	0	109.8	W89 K91 E99 F112 Y115 V119 Y144	W89-V101 HydrophobicContact CB-CB 4.24Å; W89-V101 WeakPolarHBondContact O-CB 3.38Å; W89-V101 PolarHBondContact O-N 2.88Å; K91-V101 HydrophobicContact CB-CG2 3.97Å; E99-V101 PolarHBondContact O-N 3.11Å; V101-F112 PolarHBondContact O-N 3.14Å; V101-Y115 HydrophobicContact CB-CD2 4.33Å; V101-Y115 HydrophobicContact CB-CG 4.49Å; V101-Y115 HydrophobicContact CG1-CD1 3.77Å; V101-Y115 HydrophobicContact CG1-CD2 4.08Å; V101-Y115 HydrophobicContact CG1-CE1 4.11Å; V101-Y115 HydrophobicContact CG1-CE2 4.41Å; V101-Y115 HydrophobicContact CG1-CG 3.75Å; V101-Y115 HydrophobicContact CG2-CD2 4.09Å; V101-Y115 HydrophobicContact CG2-CE1 4.41Å; V101-Y115 HydrophobicContact CG2-CE2 3.78Å; V101-V119 HydrophobicContact CG1-CG1 4.33Å; V101-V119 HydrophobicContact CG1-CG2 4.33Å; V101-Y144 HydrophobicContact CG2-CD1 4.13Å; V101-Y144 HydrophobicContact CG2-CE1 3.9Å
102	F	97.6	Very high	89.4	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	140.8	-173.7	175.4	-89.8	0	0	0	110.7	K88 W89 A104 Q109 R110 V111 V119 L121 V131	K88-F102 WeakPolarHBondContact CA-O 3.36Å; W89-F102 HydrophobicContact CB-CB 4.21Å; W89-F102 PolarHBondContact N-O 3.36Å; W89-F102 PolarHBondContact O-N 2.7Å; F102-A104 HydrophobicContact CE1-CB 3.54Å; F102-A104 HydrophobicContact CZ-CB 3.73Å; F102-Q109 HydrophobicContact CE2-CB 3.98Å; F102-Q109 HydrophobicContact CZ-CB 3.93Å; F102-R110 CarbonylContact C-O 3.44Å; F102-R110 WeakPolarHBondContact CA-O 3.34Å; F102-V111 HydrophobicContact CD2-CG2 4.01Å; F102-V111 HydrophobicContact CE2-CG2 4.45Å; F102-V119 HydrophobicContact CB-CG1 4.18Å; F102-V119 HydrophobicContact CD2-CG1 4.37Å; F102-L121 HydrophobicContact CE1-CB 4.44Å; F102-L121 HydrophobicContact CE1-CD1 4.13Å; F102-L121 HydrophobicContact CZ-CB 3.92Å; F102-L121 HydrophobicContact CZ-CD1 4.44Å; F102-V131 HydrophobicContact CD1-CG1 3.94Å; F102-V131 HydrophobicContact CE1-CG1 4.33Å; F102-V131 HydrophobicContact CG-CG1 4.18Å
103	V	96.6	Very high	89.5	Confident	29 Å²	29	78 Å²	78	18%	0.176	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.6	169.8	175.6	0	0	0	0	109.2	I87 K88 Q109 R110 F112	I87-V103 CarbonylContact O-C 3.4Å; I87-V103 VanDerWaalsContact O-CA 3.29Å; I87-V103 WeakPolarHBondContact O-CA 3.43Å; K88-V103 HydrophobicContact CB-CG2 4.19Å; K88-V103 HydrophobicContact CD-CG2 4.26Å; K88-V103 HydrophobicContact CG-CG2 3.92Å; V103-Q109 CarbonylContact O-C 3.59Å; V103-Q109 VanDerWaalsContact O-CA 3.28Å; V103-Q109 WeakPolarHBondContact O-CA 3.21Å; V103-R110 PolarHBondContact N-O 3.1Å; V103-R110 PolarHBondContact O-N 3.35Å; V103-F112 HydrophobicContact CB-CE2 4.08Å; V103-F112 HydrophobicContact CG2-CE2 3.78Å; V103-F112 HydrophobicContact CG2-CZ 4.29Å
104	A	94.3	Very high	90	Very high	5 Å²	5	77.8 Å²	77.8	4%	0.041	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142.8	168.2	0	0	0	0	0	111.4	R86 I87 F102 Q108 Q109	R86-A104 CarbonylContact C-O 3.54Å; R86-A104 WeakPolarHBondContact CA-O 3.38Å; I87-A104 HydrophobicContact CB-CB 4.49Å; I87-A104 PolarHBondContact N-O 3.17Å; I87-A104 PolarHBondContact O-N 2.63Å; F102-A104 HydrophobicContact CE1-CB 3.54Å; F102-A104 HydrophobicContact CZ-CB 3.73Å; A104-Q108 CarbonylContact C-O 3.52Å; A104-Q108 VanDerWaalsContact CA-O 3.27Å; A104-Q108 WeakPolarHBondContact CA-O 3.25Å; A104-Q109 HydrophobicContact CB-CB 4.29Å
105	L	90.7	Very high	91	Very high	82 Å²	82	73.3 Å²	73.3	43%	0.429	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	106.1	169.5	-179	66	0	0	0	107.5	R86 K107 Q108	R86-L105 HydrophobicContact CB-CD1 4.04Å; L105-K107 PolarHBondContact O-N 3.19Å; L105-K107 VanDerWaalsContact O-N 3.12Å; L105-Q108 PolarHBondContact N-O 3.45Å; L105-Q108 PolarHBondContact O-N 2.78Å
106	G	81.5	Confident	92.2	Very high	39 Å²	39	76.7 Å²	76.7	40%	0.402	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	-115.2	-170.3	0	0	0	0	0	112.4
107	K	81.6	Confident	93.1	Very high	205 Å²	205	72.3 Å²	72.3	89%	0.891	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-13.2	179.8	-65.4	-178.2	-178.1	175.8	0	113.9	L105	L105-K107 PolarHBondContact O-N 3.19Å; L105-K107 VanDerWaalsContact O-N 3.12Å
108	Q	89.9	Confident	93.8	Very high	152 Å²	152	67.6 Å²	67.6	71%	0.71	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.9	179.8	-65	-173.8	-17.5	0	0	109.1	A104 L105	A104-Q108 CarbonylContact C-O 3.52Å; A104-Q108 VanDerWaalsContact CA-O 3.27Å; A104-Q108 WeakPolarHBondContact CA-O 3.25Å; L105-Q108 PolarHBondContact N-O 3.45Å; L105-Q108 PolarHBondContact O-N 2.78Å
109	Q	94.2	Very high	94.1	Very high	97 Å²	97	63 Å²	63	45%	0.453	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	148.6	178.5	66.5	-175.3	14.9	0	0	110.5	F102 V103 A104	F102-Q109 HydrophobicContact CE2-CB 3.98Å; F102-Q109 HydrophobicContact CZ-CB 3.93Å; V103-Q109 CarbonylContact O-C 3.59Å; V103-Q109 VanDerWaalsContact O-CA 3.28Å; V103-Q109 WeakPolarHBondContact O-CA 3.21Å; A104-Q109 HydrophobicContact CB-CB 4.29Å
110	R	96.4	Very high	94.2	Very high	150 Å²	150	63.5 Å²	63.5	57%	0.566	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.4	179	-173.4	171.7	177.5	-176	-0.5	109.6	F102 V103 F112	F102-R110 CarbonylContact C-O 3.44Å; F102-R110 WeakPolarHBondContact CA-O 3.34Å; V103-R110 PolarHBondContact N-O 3.1Å; V103-R110 PolarHBondContact O-N 3.35Å; R110-F112 HydrophobicContact CB-CE2 4.03Å; R110-F112 HydrophobicContact CB-CZ 4.19Å; R110-F112 VanDerWaalsContact CD-CZ 3.45Å; R110-F112 HydrophobicContact CG-CD2 4.38Å; R110-F112 HydrophobicContact CG-CE1 4.13Å; R110-F112 HydrophobicContact CG-CE2 3.79Å; R110-F112 HydrophobicContact CG-CZ 3.67Å
111	V	97.4	Very high	94.1	Very high	27 Å²	27	61.9 Å²	61.9	16%	0.164	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.1	175	-166.5	0	0	0	0	108.8	F102 Y115 R116 V119	F102-V111 HydrophobicContact CD2-CG2 4.01Å; F102-V111 HydrophobicContact CE2-CG2 4.45Å; V111-Y115 VanDerWaalsContact CG1-O 3.24Å; V111-Y115 WeakPolarHBondContact CG1-O 3.12Å; V111-R116 HydrophobicContact CB-CG 4.28Å; V111-R116 HydrophobicContact CG1-CG 4.39Å; V111-R116 WeakPolarHBondContact O-CG 3.19Å; V111-R116 PolarHBondContact O-NE 2.94Å; V111-V119 HydrophobicContact CG1-CB 4.04Å
112	F	96.6	Very high	93.7	Very high	34 Å²	34	65.7 Å²	65.7	15%	0.149	34%	0.344	C	S	.	.			trans	-116.1	165.8	-170.5	-63.7	-95.5	0	0	0	112.2	D100 V101 V103 R110 Y115 R116	D100-F112 HydrophobicContact CB-CB 4.2Å; D100-F112 HydrophobicContact CB-CD1 4.2Å; D100-F112 HydrophobicContact CB-CD2 3.96Å; D100-F112 HydrophobicContact CB-CE2 4.35Å; D100-F112 HydrophobicContact CB-CG 3.87Å; D100-F112 WeakPolarHBondContact O-CB 3.23Å; V101-F112 PolarHBondContact O-N 3.14Å; V103-F112 HydrophobicContact CB-CE2 4.08Å; V103-F112 HydrophobicContact CG2-CE2 3.78Å; V103-F112 HydrophobicContact CG2-CZ 4.29Å; R110-F112 HydrophobicContact CB-CE2 4.03Å; R110-F112 HydrophobicContact CB-CZ 4.19Å; R110-F112 VanDerWaalsContact CD-CZ 3.45Å; R110-F112 HydrophobicContact CG-CD2 4.38Å; R110-F112 HydrophobicContact CG-CE1 4.13Å; R110-F112 HydrophobicContact CG-CE2 3.79Å; R110-F112 HydrophobicContact CG-CZ 3.67Å; F112-Y115 VanDerWaalsContact O-CB 3.3Å; F112-Y115 WeakPolarHBondContact O-CB 3.37Å; F112-Y115 PolarHBondContact O-N 3.27Å; F112-Y115 VanDerWaalsContact O-N 3.1Å; F112-R116 PolarHBondContact O-N 2.83Å
113	G	95.1	Very high	93.1	Very high	48 Å²	48	73.4 Å²	73.4	50%	0.495	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	48.1	-139.2	172.2	0	0	0	0	0	116.1	Y115	G113-Y115 PolarHBondContact O-N 3.16Å
114	S	94.8	Very high	92.3	Very high	67 Å²	67	75.2 Å²	75.2	47%	0.469	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-71.8	-8.6	176.5	64.6	0	0	0	0	113.3	R116 R118	S114-R116 VanDerWaalsContact C-N 3.32Å; S114-R118 PolarHBondContact O-NE 3.16Å
115	Y	96.5	Very high	91.7	Very high	3 Å²	3	76.8 Å²	76.8	1%	0.012	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-79.2	-14.2	178.8	-62.6	-82.1	0	0	0	113.3	K91 V101 V111 F112 G113 G117 R118 V119 I133 Y144	K91-Y115 WeakPolarHBondContact CD-OH 3.32Å; V101-Y115 HydrophobicContact CB-CD2 4.33Å; V101-Y115 HydrophobicContact CB-CG 4.49Å; V101-Y115 HydrophobicContact CG1-CD1 3.77Å; V101-Y115 HydrophobicContact CG1-CD2 4.08Å; V101-Y115 HydrophobicContact CG1-CE1 4.11Å; V101-Y115 HydrophobicContact CG1-CE2 4.41Å; V101-Y115 HydrophobicContact CG1-CG 3.75Å; V101-Y115 HydrophobicContact CG2-CD2 4.09Å; V101-Y115 HydrophobicContact CG2-CE1 4.41Å; V101-Y115 HydrophobicContact CG2-CE2 3.78Å; V111-Y115 VanDerWaalsContact CG1-O 3.24Å; V111-Y115 WeakPolarHBondContact CG1-O 3.12Å; F112-Y115 VanDerWaalsContact O-CB 3.3Å; F112-Y115 WeakPolarHBondContact O-CB 3.37Å; F112-Y115 PolarHBondContact O-N 3.27Å; F112-Y115 VanDerWaalsContact O-N 3.1Å; G113-Y115 PolarHBondContact O-N 3.16Å; Y115-G117 PolarHBondContact O-N 2.86Å; Y115-R118 WeakPolarHBondContact O-CG 3.16Å; Y115-R118 PolarHBondContact O-N 2.87Å; Y115-R118 VanDerWaalsContact O-N 3.14Å; Y115-V119 HydrophobicContact CD1-CG2 3.58Å; Y115-V119 HydrophobicContact CG-CG2 4.05Å; Y115-V119 PolarHBondContact O-N 3.01Å; Y115-V119 VanDerWaalsContact O-N 3.15Å; Y115-I133 HydrophobicContact CE1-CD1 4.39Å; Y115-Y144 HydrophobicContact CE1-CE1 4.25Å; Y115-Y144 PolarHBondContact OH-OH 3.09Å
116	R	96.4	Very high	91.3	Very high	158 Å²	158	79.7 Å²	79.7	60%	0.596	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	130.7	179.7	-73.9	-177.4	178.7	166.9	8	112.1	V111 F112 S114 R118	V111-R116 HydrophobicContact CB-CG 4.28Å; V111-R116 HydrophobicContact CG1-CG 4.39Å; V111-R116 WeakPolarHBondContact O-CG 3.19Å; V111-R116 PolarHBondContact O-NE 2.94Å; F112-R116 PolarHBondContact O-N 2.83Å; S114-R116 VanDerWaalsContact C-N 3.32Å; R116-R118 VanDerWaalsContact C-N 3.25Å; R116-R118 PolarHBondContact O-N 2.98Å
117	G	95.1	Very high	91.6	Very high	67 Å²	67	78.8 Å²	78.8	69%	0.691	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	3.4	178.1	0	0	0	0	0	114.6	Y115 F120	Y115-G117 PolarHBondContact O-N 2.86Å; G117-F120 WeakPolarHBondContact O-CZ 3.41Å
118	R	96.8	Very high	92	Very high	21 Å²	21	69.6 Å²	69.6	8%	0.079	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.9	-8.5	-180	61.6	178.6	-157.6	97.8	4.1	114.9	S114 Y115 R116 F120 Q134 D140	S114-R118 PolarHBondContact O-NE 3.16Å; Y115-R118 WeakPolarHBondContact O-CG 3.16Å; Y115-R118 PolarHBondContact O-N 2.87Å; Y115-R118 VanDerWaalsContact O-N 3.14Å; R116-R118 VanDerWaalsContact C-N 3.25Å; R116-R118 PolarHBondContact O-N 2.98Å; R118-F120 VanDerWaalsContact C-CE2 3.43Å; R118-Q134 HydrophobicContact CB-CB 4.3Å; R118-Q134 WeakPolarHBondContact CB-O 3.43Å; R118-Q134 PolarHBondContact NH1-O 3.21Å; R118-Q134 VanDerWaalsContact NH1-O 3.16Å; R118-Q134 PolarHBondContact O-N 2.86Å; R118-D140 IonicContact CZ-OD1 2.99Å; R118-D140 IonicContact CZ-OD2 2.8Å; R118-D140 VanDerWaalsContact CZ-OD2 3.26Å; R118-D140 IonicContact NH1-OD1 3.08Å; R118-D140 IonicContact NH1-OD2 3.35Å; R118-D140 PolarHBondContact NH1-OD2 3.08Å; R118-D140 IonicContact NH2-OD1 2.67Å; R118-D140 PolarHBondContact NH2-OD1 2.99Å; R118-D140 IonicContact NH2-OD2 2.76Å; R118-D140 PolarHBondContact NH2-OD2 3.35Å; R118-D140 VanDerWaalsContact NH2-OD2 3.12Å
119	V	97.5	Very high	92.2	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.012	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.4	172.6	180	0	0	0	0	111.2	V101 F102 V111 Y115 V131 I132 I133	V101-V119 HydrophobicContact CG1-CG1 4.33Å; V101-V119 HydrophobicContact CG1-CG2 4.33Å; F102-V119 HydrophobicContact CB-CG1 4.18Å; F102-V119 HydrophobicContact CD2-CG1 4.37Å; V111-V119 HydrophobicContact CG1-CB 4.04Å; Y115-V119 HydrophobicContact CD1-CG2 3.58Å; Y115-V119 HydrophobicContact CG-CG2 4.05Å; Y115-V119 PolarHBondContact O-N 3.01Å; Y115-V119 VanDerWaalsContact O-N 3.15Å; V119-V131 HydrophobicContact CG1-CB 4.05Å; V119-V131 HydrophobicContact CG1-CG1 4.44Å; V119-V131 HydrophobicContact CG1-CG2 4.46Å; V119-I132 VanDerWaalsContact CA-O 3.29Å; V119-I132 WeakPolarHBondContact CA-O 3.45Å; V119-I133 HydrophobicContact CG2-CB 4.35Å; V119-I133 HydrophobicContact CG2-CG1 3.97Å; V119-I133 HydrophobicContact CG2-CG2 4.15Å
120	F	95.4	Very high	92.2	Very high	81 Å²	81	58 Å²	58	36%	0.355	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147	-176.2	-49.7	-84.5	0	0	0	110.6	G117 R118 V131 I132 Q134	G117-F120 WeakPolarHBondContact O-CZ 3.41Å; R118-F120 VanDerWaalsContact C-CE2 3.43Å; F120-V131 CarbonylContact O-C 3.54Å; F120-V131 VanDerWaalsContact O-CA 3.3Å; F120-V131 WeakPolarHBondContact O-CA 3.42Å; F120-I132 PolarHBondContact N-O 3.07Å; F120-I132 PolarHBondContact O-N 3.33Å; F120-Q134 HydrophobicContact CD2-CG 4.4Å; F120-Q134 HydrophobicContact CE2-CG 4.2Å
121	L	93.6	Very high	92.2	Very high	32 Å²	32	50.8 Å²	50.8	17%	0.168	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.2	169.4	-167.7	71.9	0	0	0	109.5	I87 F102 R123 S130 V131	I87-L121 HydrophobicContact CD1-CD1 4.42Å; F102-L121 HydrophobicContact CE1-CB 4.44Å; F102-L121 HydrophobicContact CE1-CD1 4.13Å; F102-L121 HydrophobicContact CZ-CB 3.92Å; F102-L121 HydrophobicContact CZ-CD1 4.44Å; L121-R123 HydrophobicContact CB-CG 4.31Å; L121-R123 HydrophobicContact CD2-CG 3.93Å; L121-R123 HydrophobicContact CG-CG 4.07Å; L121-S130 WeakPolarHBondContact CD1-O 3.31Å; L121-V131 HydrophobicContact CD1-CG1 4.26Å
122	E	90.7	Very high	92.2	Very high	80 Å²	80	51.7 Å²	51.7	37%	0.374	31%	0.306	S	S	.	.			trans	-67.7	-40.2	-176.4	-177.4	163.3	-140.9	0	0	112.7	T68 A124 S130 I132	T68-E122 WeakPolarHBondContact CG2-OE2 3.42Å; E122-A124 HydrophobicContact CG-CB 4.34Å; E122-S130 PolarHBondContact N-O 3.49Å; E122-S130 WeakPolarHBondContact OE2-CB 3.24Å; E122-I132 HydrophobicContact CB-CD1 4.05Å; E122-I132 HydrophobicContact CB-CG1 4.05Å; E122-I132 HydrophobicContact CG-CD1 4Å; E122-I132 HydrophobicContact CG-CG1 4.36Å
123	R	83.3	Confident	92.3	Very high	162 Å²	162	50 Å²	50	61%	0.611	30%	0.299	S	S	*	.			trans	59.8	44.8	180	-55.6	178.4	177.8	176.9	0.4	113.2	L121 G125	L121-R123 HydrophobicContact CB-CG 4.31Å; L121-R123 HydrophobicContact CD2-CG 3.93Å; L121-R123 HydrophobicContact CG-CG 4.07Å; R123-G125 PolarHBondContact O-N 2.67Å
124	A	81.6	Confident	92.4	Very high	68 Å²	68	51.9 Å²	51.9	56%	0.562	29%	0.294	S	S	*	.			trans	-72.3	-7.8	178	0	0	0	0	0	114.1	E122 D128	E122-A124 HydrophobicContact CG-CB 4.34Å; A124-D128 WeakPolarHBondContact CA-OD2 3.32Å; A124-D128 HydrophobicContact CB-CB 4.48Å; A124-D128 WeakPolarHBondContact CB-OD2 3.4Å; A124-D128 PolarHBondContact N-OD2 2.94Å
125	G	81.6	Confident	92.4	Very high	37 Å²	37	53.7 Å²	53.7	38%	0.381	30%	0.298	S	S	.	.	S	Bend	trans	158.9	-176.1	175.1	0	0	0	0	0	112.9	R123 D128	R123-G125 PolarHBondContact O-N 2.67Å; G125-D128 WeakPolarHBondContact O-CB 3.45Å; G125-D128 PolarHBondContact O-N 2.9Å
126	P	81.6	Confident	92.4	Very high	144 Å²	144	53.5 Å²	53.5	94%	0.935	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	141.7	166.5	-20.1	32.4	0	0	0	110.8	D128	P126-D128 VanDerWaalsContact C-N 3.28Å; P126-D128 PolarHBondContact O-N 2.82Å
127	G	87.1	Confident	92.4	Very high	20 Å²	20	48.1 Å²	48.1	21%	0.206	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	9.9	-179.5	0	0	0	0	0	115	R72 F73	R72-G127 CarbonylContact C-O 3.52Å; R72-G127 VanDerWaalsContact CA-O 3.27Å; R72-G127 WeakPolarHBondContact CA-O 3.43Å; F73-G127 WeakPolarHBondContact CD1-O 3.45Å; F73-G127 PolarHBondContact N-O 1.98Å; F73-G127 VanDerWaalsContact O-CA 3.3Å; F73-G127 WeakPolarHBondContact O-CA 3.12Å
128	D	91	Very high	92.4	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.064	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-100.1	113.4	176.5	-175.8	27.4	0	0	0	111.7	A124 G125 P126 S130	A124-D128 WeakPolarHBondContact CA-OD2 3.32Å; A124-D128 HydrophobicContact CB-CB 4.48Å; A124-D128 WeakPolarHBondContact CB-OD2 3.4Å; A124-D128 PolarHBondContact N-OD2 2.94Å; G125-D128 WeakPolarHBondContact O-CB 3.45Å; G125-D128 PolarHBondContact O-N 2.9Å; P126-D128 VanDerWaalsContact C-N 3.28Å; P126-D128 PolarHBondContact O-N 2.82Å; D128-S130 WeakPolarHBondContact OD1-CB 3.35Å; D128-S130 PolarHBondContact OD1-N 2.98Å; D128-S130 PolarHBondContact OD1-OG 3.01Å
129	A	93.3	Very high	92.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.276	C	S	.	.			trans	-105.7	10.8	174.9	0	0	0	0	0	112.3	C71 F73 I87 W89 V148	C71-A129 HydrophobicContact CB-CB 4.1Å; C71-A129 CarbonylContact O-C 3.49Å; C71-A129 WeakPolarHBondContact O-CA 3.46Å; C71-A129 PolarHBondContact O-N 2.92Å; F73-A129 HydrophobicContact CD1-CB 3.78Å; F73-A129 HydrophobicContact CE1-CB 4.02Å; I87-A129 HydrophobicContact CD1-CB 3.89Å; I87-A129 HydrophobicContact CG1-CB 3.96Å; I87-A129 HydrophobicContact CG2-CB 3.77Å; W89-A129 PolarHBondContact NE1-O 2.59Å; A129-V148 HydrophobicContact CB-CG2 4.08Å
130	S	95.5	Very high	92.1	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.028	28%	0.276	C	S	.	.			trans	-66.5	137.8	-176.8	-51.1	0	0	0	0	111.9	L69 P70 C71 L121 E122 D128	L69-S130 VanDerWaalsContact O-CA 3.28Å; L69-S130 WeakPolarHBondContact O-CA 3.32Å; L69-S130 WeakPolarHBondContact O-CB 3.36Å; P70-S130 WeakPolarHBondContact CA-OG 3.42Å; C71-S130 PolarHBondContact N-OG 2.81Å; C71-S130 PolarHBondContact O-N 3.13Å; C71-S130 VanDerWaalsContact O-N 3.15Å; C71-S130 PolarHBondContact O-OG 3.01Å; L121-S130 WeakPolarHBondContact CD1-O 3.31Å; E122-S130 PolarHBondContact N-O 3.49Å; E122-S130 WeakPolarHBondContact OE2-CB 3.24Å; D128-S130 WeakPolarHBondContact OD1-CB 3.35Å; D128-S130 PolarHBondContact OD1-N 2.98Å; D128-S130 PolarHBondContact OD1-OG 3.01Å
131	V	96.4	Very high	92	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.3	175.3	-66.9	0	0	0	0	111.1	T68 L69 W89 F102 V119 F120 L121	T68-V131 CarbonylContact C-O 3.49Å; T68-V131 WeakPolarHBondContact CA-O 3.31Å; L69-V131 HydrophobicContact CB-CG2 3.96Å; L69-V131 HydrophobicContact CD1-CG2 4.08Å; L69-V131 HydrophobicContact CG-CG2 4.23Å; L69-V131 PolarHBondContact N-O 3.42Å; L69-V131 PolarHBondContact O-N 3.39Å; W89-V131 VanDerWaalsContact CD1-CG1 3.41Å; W89-V131 HydrophobicContact CD2-CG2 3.79Å; W89-V131 HydrophobicContact CE3-CG2 4.44Å; W89-V131 HydrophobicContact CG-CG1 4.15Å; W89-V131 HydrophobicContact CG-CG2 3.92Å; W89-V131 HydrophobicContact CZ2-CG2 4.09Å; F102-V131 HydrophobicContact CD1-CG1 3.94Å; F102-V131 HydrophobicContact CE1-CG1 4.33Å; F102-V131 HydrophobicContact CG-CG1 4.18Å; V119-V131 HydrophobicContact CG1-CB 4.05Å; V119-V131 HydrophobicContact CG1-CG1 4.44Å; V119-V131 HydrophobicContact CG1-CG2 4.46Å; F120-V131 CarbonylContact O-C 3.54Å; F120-V131 VanDerWaalsContact O-CA 3.3Å; F120-V131 WeakPolarHBondContact O-CA 3.42Å; L121-V131 HydrophobicContact CD1-CG1 4.26Å
132	I	97.1	Very high	91.9	Very high	45 Å²	45	46.9 Å²	46.9	23%	0.231	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.9	172.7	-57.4	170.9	0	0	0	107.8	I67 V119 F120 E122 Q134	I67-I132 CarbonylContact O-C 3.58Å; I67-I132 WeakPolarHBondContact O-CA 3.24Å; V119-I132 VanDerWaalsContact CA-O 3.29Å; V119-I132 WeakPolarHBondContact CA-O 3.45Å; F120-I132 PolarHBondContact N-O 3.07Å; F120-I132 PolarHBondContact O-N 3.33Å; E122-I132 HydrophobicContact CB-CD1 4.05Å; E122-I132 HydrophobicContact CB-CG1 4.05Å; E122-I132 HydrophobicContact CG-CD1 4Å; E122-I132 HydrophobicContact CG-CG1 4.36Å; I132-Q134 HydrophobicContact CG2-CG 4.2Å
133	I	97.7	Very high	92.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.1	170.4	-51.5	-172.9	0	0	0	108	S66 I67 L69 Y115 V119 V136 Y144 L161	S66-I133 CarbonylContact C-O 3.08Å; S66-I133 WeakPolarHBondContact CA-O 2.77Å; I67-I133 HydrophobicContact CG2-CB 4.21Å; I67-I133 PolarHBondContact N-O 3.39Å; I67-I133 PolarHBondContact O-N 3.03Å; L69-I133 HydrophobicContact CD1-CD1 3.74Å; L69-I133 HydrophobicContact CD1-CG1 4.44Å; L69-I133 HydrophobicContact CG-CD1 4.11Å; L69-I133 HydrophobicContact CG-CG1 4.44Å; Y115-I133 HydrophobicContact CE1-CD1 4.39Å; V119-I133 HydrophobicContact CG2-CB 4.35Å; V119-I133 HydrophobicContact CG2-CG1 3.97Å; V119-I133 HydrophobicContact CG2-CG2 4.15Å; I133-V136 HydrophobicContact CB-CG2 4.35Å; I133-V136 HydrophobicContact CG2-CG2 3.95Å; I133-Y144 HydrophobicContact CD1-CE1 4.3Å; I133-L161 HydrophobicContact CD1-CD1 4.18Å
134	Q	97.2	Very high	92.6	Very high	87 Å²	87	40.7 Å²	40.7	41%	0.407	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-95.9	159.6	173.3	-62	-174.8	-20.6	0	0	111.2	R118 F120 I132 V136	R118-Q134 HydrophobicContact CB-CB 4.3Å; R118-Q134 WeakPolarHBondContact CB-O 3.43Å; R118-Q134 PolarHBondContact NH1-O 3.21Å; R118-Q134 VanDerWaalsContact NH1-O 3.16Å; R118-Q134 PolarHBondContact O-N 2.86Å; F120-Q134 HydrophobicContact CD2-CG 4.4Å; F120-Q134 HydrophobicContact CE2-CG 4.2Å; I132-Q134 HydrophobicContact CG2-CG 4.2Å; Q134-V136 PolarHBondContact O-N 3.13Å
135	N	95.2	Very high	93.2	Very high	104 Å²	104	38.6 Å²	38.6	56%	0.556	22%	0.215	S	C	*	.	S	Bend	trans	46.2	58.3	179.2	-169.7	18	0	0	0	112.1	G65 T137	G65-N135 WeakPolarHBondContact O-CA 2.88Å; G65-N135 PolarHBondContact O-N 2.74Å; N135-T137 PolarHBondContact O-N 3.5Å
136	V	96.5	Very high	93.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.			trans	-63.1	131.2	-172.9	176	0	0	0	0	111	T61 R63 G64 G65 I67 I133 Q134 D140 L161 L163	T61-V136 HydrophobicContact CG2-CB 4.17Å; T61-V136 HydrophobicContact CG2-CG1 3.88Å; T61-V136 HydrophobicContact CG2-CG2 4.06Å; R63-V136 CarbonylContact C-O 3.6Å; R63-V136 WeakPolarHBondContact CA-O 3.3Å; G64-V136 PolarHBondContact N-O 3.43Å; G65-V136 WeakPolarHBondContact O-CG2 3.44Å; G65-V136 PolarHBondContact O-N 2.9Å; I67-V136 HydrophobicContact CG2-CG2 3.93Å; I133-V136 HydrophobicContact CB-CG2 4.35Å; I133-V136 HydrophobicContact CG2-CG2 3.95Å; Q134-V136 PolarHBondContact O-N 3.13Å; V136-D140 VanDerWaalsContact CA-OD2 3.32Å; V136-D140 WeakPolarHBondContact CA-OD2 3.47Å; V136-D140 HydrophobicContact CG1-CB 3.87Å; V136-L161 HydrophobicContact CG1-CD2 4.4Å; V136-L163 HydrophobicContact CG1-CD2 3.62Å
137	T	95.5	Very high	94.5	Very high	45 Å²	45	31.4 Å²	31.4	28%	0.276	16%	0.159	S	C	.	.			trans	-100.9	170.7	179.6	78.5	0	0	0	0	111.5	N135 E139 D140 L163	N135-T137 PolarHBondContact O-N 3.5Å; T137-E139 PolarHBondContact O-N 3.1Å; T137-E139 PolarHBondContact OG1-N 2.86Å; T137-D140 PolarHBondContact N-OD2 3Å; T137-D140 WeakPolarHBondContact O-CB 3.19Å; T137-D140 PolarHBondContact O-N 2.96Å; T137-D140 PolarHBondContact OG1-N 3.16Å; T137-D140 PolarHBondContact OG1-OD1 3.17Å; T137-L163 WeakPolarHBondContact O-CD1 3.47Å
138	L	95.1	Very high	94.8	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.068	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-63.1	-34.7	172.8	-67.3	177.5	0	0	0	111.7	D140 Y141 L163 I194 F260	L138-D140 PolarHBondContact O-N 2.95Å; L138-Y141 WeakPolarHBondContact O-CB 3.47Å; L138-Y141 PolarHBondContact O-N 2.87Å; L138-L163 HydrophobicContact CD2-CD1 4.09Å; L138-I194 HydrophobicContact CB-CG2 4.03Å; L138-F260 HydrophobicContact CD2-CE1 4.31Å
139	E	93.1	Very high	94.7	Very high	121 Å²	121	31.4 Å²	31.4	57%	0.565	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-70.9	-13.1	179.5	-64.9	179	179.1	0	0	112.4	K91 T137 Y141	K91-E139 PolarHBondContact NZ-O 3.15Å; T137-E139 PolarHBondContact O-N 3.1Å; T137-E139 PolarHBondContact OG1-N 2.86Å; E139-Y141 PolarHBondContact O-N 3.07Å
140	D	95.1	Very high	94.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-79.5	-11.7	176.4	-62.1	-19	0	0	0	112.8	R118 V136 T137 L138 G142 Y144	R118-D140 IonicContact CZ-OD1 2.99Å; R118-D140 IonicContact CZ-OD2 2.8Å; R118-D140 VanDerWaalsContact CZ-OD2 3.26Å; R118-D140 IonicContact NH1-OD1 3.08Å; R118-D140 IonicContact NH1-OD2 3.35Å; R118-D140 PolarHBondContact NH1-OD2 3.08Å; R118-D140 IonicContact NH2-OD1 2.67Å; R118-D140 PolarHBondContact NH2-OD1 2.99Å; R118-D140 IonicContact NH2-OD2 2.76Å; R118-D140 PolarHBondContact NH2-OD2 3.35Å; R118-D140 VanDerWaalsContact NH2-OD2 3.12Å; V136-D140 VanDerWaalsContact CA-OD2 3.32Å; V136-D140 WeakPolarHBondContact CA-OD2 3.47Å; V136-D140 HydrophobicContact CG1-CB 3.87Å; T137-D140 PolarHBondContact N-OD2 3Å; T137-D140 WeakPolarHBondContact O-CB 3.19Å; T137-D140 PolarHBondContact O-N 2.96Å; T137-D140 PolarHBondContact OG1-N 3.16Å; T137-D140 PolarHBondContact OG1-OD1 3.17Å; L138-D140 PolarHBondContact O-N 2.95Å; D140-G142 PolarHBondContact O-N 2.88Å; D140-Y144 WeakPolarHBondContact CA-OH 3.41Å; D140-Y144 VanDerWaalsContact O-CE2 3.25Å; D140-Y144 WeakPolarHBondContact O-CE2 3.49Å; D140-Y144 PolarHBondContact O-OH 2.8Å
141	Y	93.4	Very high	93.1	Very high	27 Å²	27	36.6 Å²	36.6	11%	0.106	18%	0.183	C	C	.	.			trans	-55.1	136.5	171.6	174.7	-106.7	0	0	0	110.7	K91 L138 E139 L161 D162 I194 S197 E218	K91-Y141 WeakPolarHBondContact CE-O 3.19Å; K91-Y141 PolarHBondContact NZ-O 2.75Å; L138-Y141 WeakPolarHBondContact O-CB 3.47Å; L138-Y141 PolarHBondContact O-N 2.87Å; E139-Y141 PolarHBondContact O-N 3.07Å; Y141-L161 WeakPolarHBondContact CD2-O 3.49Å; Y141-D162 HydrophobicContact CE2-CB 4.19Å; Y141-D162 WeakPolarHBondContact CE2-OD1 3.48Å; Y141-I194 HydrophobicContact CD1-CD1 4.35Å; Y141-S197 VanDerWaalsContact OH-CB 3.28Å; Y141-S197 WeakPolarHBondContact OH-CB 3.3Å; Y141-S197 PolarHBondContact OH-OG 3.19Å; Y141-E218 VanDerWaalsContact CE1-OE2 3.31Å; Y141-E218 WeakPolarHBondContact CE1-OE2 3.42Å
142	G	92.8	Very high	91.8	Very high	15 Å²	15	43.2 Å²	43.2	16%	0.155	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.2	-166.3	170.7	0	0	0	0	0	114	D140 L161	D140-G142 PolarHBondContact O-N 2.88Å; G142-L161 PolarHBondContact N-O 3.15Å; G142-L161 VanDerWaalsContact N-O 3.14Å; G142-L161 PolarHBondContact O-N 3.44Å
143	R	93.3	Very high	90.9	Very high	112 Å²	112	44.7 Å²	44.7	42%	0.423	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.3	-178.8	-175.2	171.5	179.5	-172.8	-2.5	110	V92 F158 N160	V92-R143 HydrophobicContact CB-CB 4.28Å; V92-R143 HydrophobicContact CG2-CB 4.37Å; V92-R143 HydrophobicContact CG2-CG 4.19Å; V92-R143 PolarHBondContact N-O 3.14Å; R143-F158 HydrophobicContact CG-CD1 4.13Å; R143-N160 WeakPolarHBondContact CB-OD1 3.11Å; R143-N160 VanDerWaalsContact CG-OD1 3.31Å; R143-N160 WeakPolarHBondContact CG-OD1 3.45Å
144	Y	95.2	Very high	90.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.3	177.9	-67.9	-99.3	0	0	0	109.6	L69 T90 K91 V101 Y115 I133 D140 F158 V159 L161	L69-Y144 HydrophobicContact CD1-CD1 3.82Å; L69-Y144 HydrophobicContact CD1-CD2 3.99Å; L69-Y144 HydrophobicContact CD1-CE1 4.35Å; L69-Y144 HydrophobicContact CD1-CG 3.61Å; T90-Y144 CarbonylContact O-C 3.52Å; T90-Y144 VanDerWaalsContact O-CA 3.25Å; T90-Y144 WeakPolarHBondContact O-CA 3.35Å; K91-Y144 HydrophobicContact CB-CD1 3.98Å; K91-Y144 HydrophobicContact CB-CE1 3.74Å; K91-Y144 HydrophobicContact CD-CE1 4.37Å; K91-Y144 HydrophobicContact CG-CD1 4.3Å; K91-Y144 HydrophobicContact CG-CE1 3.93Å; K91-Y144 HydrophobicContact CG-CE2 4.4Å; V101-Y144 HydrophobicContact CG2-CD1 4.13Å; V101-Y144 HydrophobicContact CG2-CE1 3.9Å; Y115-Y144 HydrophobicContact CE1-CE1 4.25Å; Y115-Y144 PolarHBondContact OH-OH 3.09Å; I133-Y144 HydrophobicContact CD1-CE1 4.3Å; D140-Y144 WeakPolarHBondContact CA-OH 3.41Å; D140-Y144 VanDerWaalsContact O-CE2 3.25Å; D140-Y144 WeakPolarHBondContact O-CE2 3.49Å; D140-Y144 PolarHBondContact O-OH 2.8Å; Y144-F158 CarbonylContact O-C 3.45Å; Y144-F158 VanDerWaalsContact O-CA 3.31Å; Y144-F158 WeakPolarHBondContact O-CA 3.48Å; Y144-V159 PolarHBondContact N-O 2.94Å; Y144-V159 PolarHBondContact O-N 3.23Å; Y144-L161 HydrophobicContact CD2-CB 4.11Å; Y144-L161 HydrophobicContact CE2-CB 3.8Å; Y144-L161 HydrophobicContact CE2-CD1 4.12Å
145	E	94.6	Very high	89.9	Confident	25 Å²	25	47.9 Å²	47.9	12%	0.117	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.7	176.6	177.9	-176.8	-101.3	0	0	108.8	W89 T90 G157 F158	W89-E145 VanDerWaalsContact CA-O 3.28Å; W89-E145 WeakPolarHBondContact CA-O 3.28Å; T90-E145 PolarHBondContact N-O 2.93Å; T90-E145 PolarHBondContact O-N 2.87Å; T90-E145 WeakPolarHBondContact OG1-CB 3.22Å; T90-E145 PolarHBondContact OG1-OE2 3.2Å; E145-G157 CarbonylContact C-O 3.54Å; E145-G157 WeakPolarHBondContact CA-O 3.25Å; E145-F158 HydrophobicContact CB-CD1 3.89Å; E145-F158 HydrophobicContact CB-CE1 3.68Å; E145-F158 HydrophobicContact CG-CD1 4.28Å; E145-F158 HydrophobicContact CG-CE1 3.78Å; E145-F158 HydrophobicContact CG-CZ 4.15Å; E145-F158 WeakPolarHBondContact OE1-CE1 3.26Å; E145-F158 VanDerWaalsContact OE1-CZ 3.28Å; E145-F158 WeakPolarHBondContact OE1-CZ 3.27Å
146	C	95.4	Very high	89.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	111.7	170.4	-179.1	0	0	0	0	107.6	T54 C71 W89 T156 G157	T54-C146 HydrophobicContact CG2-CB 4.33Å; C71-C146 HydrophobicContact CB-CB 3.72Å; C71-C146 WeakPolarHBondContact CB-SG 3.18Å; C71-C146 WeakPolarHBondContact SG-CB 3.48Å; C71-C146 CovalentContact SG-SG 2.04Å; C71-C146 PolarHBondContact SG-SG 3.11Å; W89-C146 HydrophobicContact CD2-CB 4.06Å; W89-C146 HydrophobicContact CE3-CB 4.1Å; W89-C146 HydrophobicContact CH2-CB 3.73Å; W89-C146 HydrophobicContact CZ2-CB 3.69Å; W89-C146 HydrophobicContact CZ3-CB 3.93Å; C146-T156 CarbonylContact O-C 3.51Å; C146-T156 VanDerWaalsContact O-CA 3.26Å; C146-T156 WeakPolarHBondContact O-CA 3.48Å; C146-G157 PolarHBondContact N-O 3.38Å; C146-G157 PolarHBondContact O-N 3.46Å
147	E	94.6	Very high	89.5	Confident	30 Å²	30	45.7 Å²	45.7	14%	0.14	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.2	176.7	-179.1	-165.1	140.4	0	0	107.6	K88 T156	K88-E147 HydrophobicContact CB-CB 4.25Å; K88-E147 PolarHBondContact N-O 3.13Å; K88-E147 IonicContact NZ-OE2 3.57Å; K88-E147 PolarHBondContact NZ-OE2 2.92Å; K88-E147 PolarHBondContact O-N 3Å; E147-T156 HydrophobicContact CB-CG2 4.15Å; E147-T156 HydrophobicContact CG-CG2 4.14Å
148	V	92.8	Very high	89.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.2	174.2	-175.7	0	0	0	0	108.4	V50 V52 F73 I85 R86 I87 A129 D154 D155	V50-V148 HydrophobicContact CG1-CB 4.15Å; V50-V148 HydrophobicContact CG1-CG1 3.97Å; V52-V148 HydrophobicContact CG2-CB 3.65Å; V52-V148 HydrophobicContact CG2-CG2 3.69Å; F73-V148 HydrophobicContact CB-CB 4.41Å; F73-V148 HydrophobicContact CB-CG1 4.25Å; F73-V148 HydrophobicContact CB-CG2 4.16Å; F73-V148 HydrophobicContact CD1-CG1 4.08Å; F73-V148 HydrophobicContact CD1-CG2 4Å; F73-V148 HydrophobicContact CD2-CG1 3.98Å; F73-V148 HydrophobicContact CE1-CG1 4.44Å; F73-V148 HydrophobicContact CE2-CG1 4.37Å; F73-V148 HydrophobicContact CG-CB 4.44Å; F73-V148 HydrophobicContact CG-CG1 3.82Å; F73-V148 HydrophobicContact CG-CG2 4.19Å; I85-V148 HydrophobicContact CG2-CG1 3.63Å; R86-V148 WeakPolarHBondContact O-CA 3.31Å; I87-V148 HydrophobicContact CG1-CG2 4.47Å; A129-V148 HydrophobicContact CB-CG2 4.08Å; V148-D154 WeakPolarHBondContact O-CA 3.38Å; V148-D155 PolarHBondContact N-O 3.19Å; V148-D155 PolarHBondContact O-N 3.11Å; V148-D155 VanDerWaalsContact O-N 3.08Å
149	T	89.8	Confident	89.4	Confident	32 Å²	32	46.3 Å²	46.3	20%	0.196	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.3	-175.9	-40.8	0	0	0	0	109.6	R86 D154	R86-T149 PolarHBondContact N-O 3.08Å; R86-T149 PolarHBondContact O-N 3.11Å; T149-D154 HydrophobicContact CG2-CB 4Å
150	N	82.6	Confident	89.4	Confident	14 Å²	14	43.9 Å²	43.9	8%	0.075	22%	0.222	C	C	.	.			trans	-103.6	-166.4	165	74.5	2	0	0	0	110	G48 V50 H75 M152 E153	G48-N150 PolarHBondContact O-ND2 2.73Å; V50-N150 HydrophobicContact CG2-CB 3.71Å; V50-N150 VanDerWaalsContact CG2-CG 3.46Å; V50-N150 WeakPolarHBondContact CG2-ND2 3.26Å; H75-N150 PolarHBondContact CD2-ND2 3.41Å; H75-N150 PolarHBondContact NE2-ND2 2.98Å; N150-M152 PolarHBondContact O-N 2.77Å; N150-M152 PolarHBondContact OD1-N 2.96Å; N150-E153 PolarHBondContact N-O 3.36Å; N150-E153 PolarHBondContact OD1-N 3.1Å; N150-E153 PolarHBondContact OD1-O 2.85Å
151	D	72.7	Confident	89.4	Confident	98 Å²	98	43.9 Å²	43.9	52%	0.524	22%	0.222	S	C	.	.	S	Bend	trans	-67.2	-11.8	-178.9	-67.6	-28.4	0	0	0	114.2	R84	R84-D151 WeakPolarHBondContact CD-OD2 3.35Å; R84-D151 IonicContact CZ-OD2 3.66Å; R84-D151 IonicContact NE-OD2 3.76Å; R84-D151 IonicContact NH1-OD2 2.79Å; R84-D151 PolarHBondContact NH1-OD2 3.03Å
152	M	67.6	Low	89.4	Confident	139 Å²	139	43 Å²	43	69%	0.685	22%	0.219	S	C	*	.	S	Bend	trans	-130.6	-35.3	-167.7	-57.6	-174.9	-167	0	0	114.3	N150	N150-M152 PolarHBondContact O-N 2.77Å; N150-M152 PolarHBondContact OD1-N 2.96Å
153	E	79.3	Confident	89.5	Confident	77 Å²	77	42.4 Å²	42.4	36%	0.36	21%	0.213	S	C	.	.			trans	-141.7	153	-171	-63.2	-173.6	-177.4	0	0	112	A49 N150	A49-E153 VanDerWaalsContact CA-OE2 3.29Å; A49-E153 WeakPolarHBondContact CA-OE2 3.48Å; N150-E153 PolarHBondContact N-O 3.36Å; N150-E153 PolarHBondContact OD1-N 3.1Å; N150-E153 PolarHBondContact OD1-O 2.85Å
154	D	83.8	Confident	89.6	Confident	102 Å²	102	41.7 Å²	41.7	55%	0.545	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.2	170.2	62.7	-39	0	0	0	111	V148 T149	V148-D154 WeakPolarHBondContact O-CA 3.38Å; T149-D154 HydrophobicContact CG2-CB 4Å
155	D	89.5	Confident	89.7	Confident	51 Å²	51	42.6 Å²	42.6	27%	0.273	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.4	166.8	-168.4	20.5	0	0	0	110	V50 I51 V52 V148	V50-D155 HydrophobicContact CG1-CB 4.5Å; V50-D155 VanDerWaalsContact O-CB 3.29Å; V50-D155 WeakPolarHBondContact O-CB 3.17Å; I51-D155 WeakPolarHBondContact CA-OD2 3.27Å; V52-D155 HydrophobicContact CB-CB 4.18Å; V52-D155 HydrophobicContact CG2-CB 3.94Å; V52-D155 WeakPolarHBondContact CG2-O 3.41Å; V52-D155 PolarHBondContact N-OD2 3.09Å; V148-D155 PolarHBondContact N-O 3.19Å; V148-D155 PolarHBondContact O-N 3.11Å; V148-D155 VanDerWaalsContact O-N 3.08Å
156	T	92.1	Very high	89.8	Confident	54 Å²	54	42 Å²	42	33%	0.331	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.1	-171.3	61.2	0	0	0	0	112.1	C146 E147	C146-T156 CarbonylContact O-C 3.51Å; C146-T156 VanDerWaalsContact O-CA 3.26Å; C146-T156 WeakPolarHBondContact O-CA 3.48Å; E147-T156 HydrophobicContact CB-CG2 4.15Å; E147-T156 HydrophobicContact CG-CG2 4.14Å
157	G	91.8	Very high	90	Very high	5 Å²	5	42.6 Å²	42.6	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.8	171.3	0	0	0	0	0	111.4	E145 C146	E145-G157 CarbonylContact C-O 3.54Å; E145-G157 WeakPolarHBondContact CA-O 3.25Å; C146-G157 PolarHBondContact N-O 3.38Å; C146-G157 PolarHBondContact O-N 3.46Å
158	F	93.2	Very high	90.2	Very high	68 Å²	68	41.1 Å²	41.1	30%	0.298	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.4	-176.9	-66	-85	0	0	0	112.2	T54 V92 R143 Y144 E145	T54-F158 PolarHBondContact OG1-N 3.43Å; T54-F158 PolarHBondContact OG1-O 3.48Å; V92-F158 HydrophobicContact CG2-CE1 4.35Å; R143-F158 HydrophobicContact CG-CD1 4.13Å; Y144-F158 CarbonylContact O-C 3.45Å; Y144-F158 VanDerWaalsContact O-CA 3.31Å; Y144-F158 WeakPolarHBondContact O-CA 3.48Å; E145-F158 HydrophobicContact CB-CD1 3.89Å; E145-F158 HydrophobicContact CB-CE1 3.68Å; E145-F158 HydrophobicContact CG-CD1 4.28Å; E145-F158 HydrophobicContact CG-CE1 3.78Å; E145-F158 HydrophobicContact CG-CZ 4.15Å; E145-F158 WeakPolarHBondContact OE1-CE1 3.26Å; E145-F158 VanDerWaalsContact OE1-CZ 3.28Å; E145-F158 WeakPolarHBondContact OE1-CZ 3.27Å
159	V	94.6	Very high	90.4	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.6	175.1	-177.9	0	0	0	0	109.5	T54 V59 L69 P70 W89 Y144	T54-V159 HydrophobicContact CG2-CG2 3.96Å; V59-V159 HydrophobicContact CG1-CG1 4.25Å; V59-V159 HydrophobicContact CG2-CG1 3.92Å; L69-V159 HydrophobicContact CB-CG1 4.46Å; L69-V159 HydrophobicContact CD2-CG1 3.96Å; P70-V159 WeakPolarHBondContact O-CG2 3.36Å; W89-V159 HydrophobicContact CH2-CB 4.42Å; W89-V159 HydrophobicContact CH2-CG2 3.91Å; W89-V159 HydrophobicContact CZ3-CB 4.39Å; W89-V159 HydrophobicContact CZ3-CG2 4.29Å; Y144-V159 PolarHBondContact N-O 2.94Å; Y144-V159 PolarHBondContact O-N 3.23Å
160	N	94	Very high	90.8	Very high	70 Å²	70	40.8 Å²	40.8	37%	0.374	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	117	173.6	-63.2	-57.9	0	0	0	110.1	K58 V59 R143	K58-N160 WeakPolarHBondContact CA-O 3.43Å; V59-N160 PolarHBondContact N-O 3.49Å; R143-N160 WeakPolarHBondContact CB-OD1 3.11Å; R143-N160 VanDerWaalsContact CG-OD1 3.31Å; R143-N160 WeakPolarHBondContact CG-OD1 3.45Å
161	L	94.8	Very high	91.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.3	171.2	-172.6	166.6	0	0	0	109.1	V59 T61 I67 L69 I133 V136 Y141 G142 Y144 L163	V59-L161 HydrophobicContact CG2-CB 4.3Å; T61-L161 HydrophobicContact CG2-CD2 4.43Å; I67-L161 HydrophobicContact CG2-CD1 3.76Å; I67-L161 HydrophobicContact CG2-CG 4.37Å; L69-L161 HydrophobicContact CD2-CB 4.26Å; L69-L161 HydrophobicContact CD2-CD1 4.18Å; I133-L161 HydrophobicContact CD1-CD1 4.18Å; V136-L161 HydrophobicContact CG1-CD2 4.4Å; Y141-L161 WeakPolarHBondContact CD2-O 3.49Å; G142-L161 PolarHBondContact N-O 3.15Å; G142-L161 VanDerWaalsContact N-O 3.14Å; G142-L161 PolarHBondContact O-N 3.44Å; Y144-L161 HydrophobicContact CD2-CB 4.11Å; Y144-L161 HydrophobicContact CE2-CB 3.8Å; Y144-L161 HydrophobicContact CE2-CD1 4.12Å; L161-L163 HydrophobicContact CD2-CD2 3.76Å; L161-L163 HydrophobicContact CD2-CG 4.17Å
162	D	93.5	Very high	92.6	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	158.2	171.8	-168.5	36.1	0	0	0	113	K58 V59 V60 T61 Y141	K58-D162 HydrophobicContact CD-CB 4.1Å; K58-D162 WeakPolarHBondContact CE-OD2 3.31Å; K58-D162 HydrophobicContact CG-CB 3.99Å; K58-D162 VanDerWaalsContact NZ-CG 3.31Å; K58-D162 IonicContact NZ-OD2 2.81Å; K58-D162 PolarHBondContact NZ-OD2 3.43Å; V59-D162 PolarHBondContact O-N 3.32Å; V60-D162 WeakPolarHBondContact CA-O 3.39Å; V60-D162 HydrophobicContact CG2-CB 4.35Å; T61-D162 PolarHBondContact N-O 2.9Å; Y141-D162 HydrophobicContact CE2-CB 4.19Å; Y141-D162 WeakPolarHBondContact CE2-OD1 3.48Å
163	L	95.1	Very high	94	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.9	-179.7	-60.5	178.9	0	0	0	109.8	T61 V136 T137 L138 L161 G165 F260	T61-L163 HydrophobicContact CG2-CD2 3.74Å; T61-L163 CarbonylContact O-C 3.53Å; T61-L163 VanDerWaalsContact O-CA 3.32Å; T61-L163 WeakPolarHBondContact O-CA 3.27Å; V136-L163 HydrophobicContact CG1-CD2 3.62Å; T137-L163 WeakPolarHBondContact O-CD1 3.47Å; L138-L163 HydrophobicContact CD2-CD1 4.09Å; L161-L163 HydrophobicContact CD2-CD2 3.76Å; L161-L163 HydrophobicContact CD2-CG 4.17Å; L163-G165 PolarHBondContact O-N 2.83Å; L163-F260 HydrophobicContact CB-CE1 3.92Å; L163-F260 HydrophobicContact CB-CZ 3.85Å; L163-F260 HydrophobicContact CD1-CE1 4.4Å; L163-F260 WeakPolarHBondContact O-CZ 3.39Å
164	E	95.3	Very high	94.7	Very high	98 Å²	98	40.8 Å²	40.8	46%	0.458	21%	0.207	S	C	.	.			trans	-61.8	125.9	161.4	-65	-173.8	169.6	0	0	108.8	V60 T61 S262	V60-E164 HydrophobicContact CG1-CG 3.76Å; T61-E164 PolarHBondContact O-N 2.75Å; E164-S262 VanDerWaalsContact O-CB 3.29Å; E164-S262 WeakPolarHBondContact O-CB 3.06Å; E164-S262 PolarHBondContact O-OG 3.27Å
165	G	96.2	Very high	95.2	Very high	19 Å²	19	37 Å²	37	20%	0.196	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	-168.7	-176	0	0	0	0	0	114	L163 F260 T261	L163-G165 PolarHBondContact O-N 2.83Å; G165-F260 VanDerWaalsContact CA-CE2 3.46Å; G165-T261 CarbonylContact C-O 3.53Å; G165-T261 WeakPolarHBondContact CA-O 3.42Å
166	V	97.8	Very high	95.5	Very high	12 Å²	12	40.3 Å²	40.3	7%	0.073	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.6	-179.2	57.8	0	0	0	0	109.3	T261 Y300 W303 K304	V166-T261 HydrophobicContact CG1-CG2 3.62Å; V166-T261 PolarHBondContact N-O 3.3Å; V166-T261 PolarHBondContact O-N 3.45Å; V166-T261 VanDerWaalsContact O-N 3.11Å; V166-Y300 HydrophobicContact CG2-CD1 4.33Å; V166-W303 HydrophobicContact CG2-CE3 4.29Å; V166-W303 HydrophobicContact CG2-CZ3 3.83Å; V166-K304 HydrophobicContact CB-CB 4.19Å; V166-K304 HydrophobicContact CB-CG 4.22Å; V166-K304 HydrophobicContact CG1-CB 4.33Å; V166-K304 HydrophobicContact CG2-CB 4.49Å
167	V	98.5	Very high	95.8	Very high	12 Å²	12	42.3 Å²	42.3	7%	0.073	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	137.6	171.3	177.3	0	0	0	0	109.4	A196 Q200 L201 A204 L209 F258 C259 F260	V167-A196 HydrophobicContact CG1-CB 4.05Å; V167-A196 HydrophobicContact CG2-CB 3.94Å; V167-Q200 HydrophobicContact CG2-CB 3.78Å; V167-L201 HydrophobicContact CG1-CD1 4.02Å; V167-A204 HydrophobicContact CB-CB 3.77Å; V167-A204 HydrophobicContact CG1-CB 4.48Å; V167-A204 HydrophobicContact CG2-CB 4.12Å; V167-L209 HydrophobicContact CG1-CD2 4.27Å; V167-F258 HydrophobicContact CG1-CB 4.1Å; V167-F258 HydrophobicContact CG1-CD1 4.07Å; V167-C259 CarbonylContact C-O 3.48Å; V167-C259 VanDerWaalsContact CA-O 3.29Å; V167-C259 WeakPolarHBondContact CA-O 3.23Å; V167-F260 HydrophobicContact CG2-CD2 4.08Å
168	F	98.4	Very high	96.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	143.1	174.5	64.4	-87.4	0	0	0	112.5	Y170 Q191 A193 C259 T261 V296 Y300	F168-Y170 HydrophobicContact CE2-CD2 4.46Å; F168-Q191 HydrophobicContact CZ-CB 4.47Å; F168-A193 HydrophobicContact CE1-CB 3.79Å; F168-A193 HydrophobicContact CZ-CB 3.68Å; F168-C259 HydrophobicContact CD1-CB 4.21Å; F168-C259 WeakPolarHBondContact CD1-O 3.38Å; F168-C259 HydrophobicContact CD2-CB 4.12Å; F168-C259 HydrophobicContact CE1-CB 3.68Å; F168-C259 HydrophobicContact CE2-CB 3.6Å; F168-C259 HydrophobicContact CG-CB 4.41Å; F168-C259 HydrophobicContact CZ-CB 3.36Å; F168-C259 PolarHBondContact N-O 3.36Å; F168-C259 PolarHBondContact O-N 3.15Å; F168-T261 HydrophobicContact CD1-CG2 4.22Å; F168-T261 HydrophobicContact CE1-CG2 3.84Å; F168-V296 HydrophobicContact CD2-CG1 3.89Å; F168-V296 HydrophobicContact CE2-CB 4.37Å; F168-V296 HydrophobicContact CE2-CG1 3.64Å; F168-V296 HydrophobicContact CZ-CG1 4.43Å; F168-Y300 HydrophobicContact CB-CD1 3.5Å; F168-Y300 VanDerWaalsContact CB-CD1 3.5Å; F168-Y300 HydrophobicContact CB-CD2 3.6Å; F168-Y300 HydrophobicContact CB-CE1 3.39Å; F168-Y300 HydrophobicContact CB-CE2 3.52Å; F168-Y300 HydrophobicContact CB-CG 3.6Å; F168-Y300 HydrophobicContact CD1-CD2 4.07Å; F168-Y300 HydrophobicContact CD1-CG 4.03Å; F168-Y300 AromaticContact CD2-CD2 3.9Å; F168-Y300 HydrophobicContact CD2-CD2 3.9Å; F168-Y300 AromaticContact CD2-CE2 3.88Å; F168-Y300 HydrophobicContact CD2-CE2 3.88Å; F168-Y300 HydrophobicContact CG-CD1 4.27Å; F168-Y300 AromaticContact CG-CD2 3.6Å; F168-Y300 HydrophobicContact CG-CD2 3.6Å; F168-Y300 HydrophobicContact CG-CE1 4.43Å; F168-Y300 AromaticContact CG-CE2 3.81Å; F168-Y300 HydrophobicContact CG-CE2 3.81Å; F168-Y300 AromaticContact CG-CG 3.84Å; F168-Y300 HydrophobicContact CG-CG 3.84Å
169	P	98	Very high	96.3	Very high	6 Å²	6	45 Å²	45	4%	0.039	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	142.5	173.3	30.5	-33.2	0	0	0	111	W211 A257 F258	P169-W211 HydrophobicContact CB-CD2 3.61Å; P169-W211 HydrophobicContact CB-CE3 4.23Å; P169-W211 HydrophobicContact CB-CG 3.89Å; P169-W211 HydrophobicContact CB-CH2 4.28Å; P169-W211 HydrophobicContact CB-CZ2 3.7Å; P169-W211 HydrophobicContact CG-CD2 3.49Å; P169-W211 VanDerWaalsContact CG-CD2 3.49Å; P169-W211 HydrophobicContact CG-CE3 3.58Å; P169-W211 HydrophobicContact CG-CG 4.09Å; P169-W211 HydrophobicContact CG-CH2 3.79Å; P169-W211 HydrophobicContact CG-CZ2 3.73Å; P169-W211 HydrophobicContact CG-CZ3 3.72Å; P169-A257 WeakPolarHBondContact CA-O 3.28Å; P169-F258 HydrophobicContact CB-CD1 4.26Å; P169-F258 HydrophobicContact CB-CE1 3.96Å
170	Y	98.5	Very high	96.5	Very high	18 Å²	18	45.9 Å²	45.9	7%	0.071	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.7	178.5	-173.9	-92.9	0	0	0	111.6	F168 L179 A187 Q191 D256 A257 V296	F168-Y170 HydrophobicContact CE2-CD2 4.46Å; Y170-L179 HydrophobicContact CD1-CD1 4.35Å; Y170-A187 HydrophobicContact CD1-CB 3.96Å; Y170-A187 HydrophobicContact CE1-CB 3.69Å; Y170-Q191 HydrophobicContact CD2-CG 4.07Å; Y170-Q191 HydrophobicContact CE2-CG 3.56Å; Y170-D256 WeakPolarHBondContact O-CB 3.5Å; Y170-A257 PolarHBondContact N-O 2.95Å; Y170-A257 PolarHBondContact O-N 2.84Å; Y170-V296 HydrophobicContact CD2-CG1 4.46Å; Y170-V296 HydrophobicContact CE2-CG2 4.26Å
171	Y	97.5	Very high	96.7	Very high	31 Å²	31	43.8 Å²	43.8	12%	0.122	21%	0.206	C	C	.	.			trans	-143.1	145.9	167	63.3	-94.7	0	0	0	109	R176 W211 D256 H341 F344	Y171-R176 HydrophobicContact CD1-CG 4.18Å; Y171-R176 HydrophobicContact CD2-CG 4.13Å; Y171-R176 HydrophobicContact CE1-CG 4.41Å; Y171-R176 HydrophobicContact CE2-CG 4.36Å; Y171-R176 HydrophobicContact CG-CG 4.02Å; Y171-W211 HydrophobicContact CD1-CZ2 4.43Å; Y171-W211 HydrophobicContact CE1-CZ2 4.24Å; Y171-D256 WeakPolarHBondContact CB-OD1 3.39Å; Y171-H341 AromaticContact CE1-CE1 3.86Å; Y171-H341 AromaticContact CE1-ND1 3.66Å; Y171-H341 AromaticContact CE2-CE1 3.73Å; Y171-H341 AromaticContact CZ-CE1 3.26Å; Y171-H341 AromaticContact CZ-ND1 3.39Å; Y171-H341 PolarHBondContact OH-CE1 2.79Å; Y171-H341 PolarHBondContact OH-ND1 3.28Å; Y171-F344 HydrophobicContact CD2-CE2 4.21Å; Y171-F344 HydrophobicContact CE2-CD2 4.48Å; Y171-F344 AromaticContact CE2-CE2 3.97Å; Y171-F344 HydrophobicContact CE2-CE2 3.97Å
172	P	96.3	Very high	96.9	Very high	17 Å²	17	47.8 Å²	47.8	11%	0.11	22%	0.224	C	C	.	.			trans	-75.6	173.9	-174.8	34	-38	0	0	0	111.6	D174 G175 K178 L179	P172-D174 PolarHBondContact O-N 2.9Å; P172-G175 WeakPolarHBondContact CD-O 3.45Å; P172-G175 PolarHBondContact O-N 2.83Å; P172-G175 VanDerWaalsContact O-N 3.11Å; P172-K178 HydrophobicContact CG-CB 4.09Å; P172-L179 HydrophobicContact CB-CD2 4.39Å; P172-L179 HydrophobicContact CG-CD1 4.49Å; P172-L179 HydrophobicContact CG-CD2 3.84Å; P172-L179 HydrophobicContact CG-CG 4.06Å
173	R	95.5	Very high	97.1	Very high	146 Å²	146	51.3 Å²	51.3	55%	0.551	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-29.7	176.7	178.4	171.3	177.7	-131.7	-1.9	113.4	G175 F344	R173-G175 PolarHBondContact O-N 2.87Å; R173-F344 HydrophobicContact CB-CB 4.39Å; R173-F344 HydrophobicContact CB-CD1 3.67Å; R173-F344 HydrophobicContact CB-CD2 4.33Å; R173-F344 HydrophobicContact CB-CE1 3.91Å; R173-F344 HydrophobicContact CB-CG 3.89Å; R173-F344 HydrophobicContact CB-CZ 4.34Å; R173-F344 HydrophobicContact CG-CB 3.81Å; R173-F344 HydrophobicContact CG-CD1 3.94Å; R173-F344 HydrophobicContact CG-CG 3.87Å
174	D	94.6	Very high	97.3	Very high	134 Å²	134	51.2 Å²	51.2	72%	0.717	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-7.5	-178.6	-54.1	-46	0	0	0	113.3	P172 K178	P172-D174 PolarHBondContact O-N 2.9Å; D174-K178 HydrophobicContact CB-CG 4.44Å
175	G	94.8	Very high	97.4	Very high	22 Å²	22	49.4 Å²	49.4	23%	0.227	23%	0.231	C	C	.	.			trans	115.8	-171.5	173.1	0	0	0	0	0	113.1	P172 R173	P172-G175 WeakPolarHBondContact CD-O 3.45Å; P172-G175 PolarHBondContact O-N 2.83Å; P172-G175 VanDerWaalsContact O-N 3.11Å; R173-G175 PolarHBondContact O-N 2.87Å
176	R	96.1	Very high	97.5	Very high	122 Å²	122	52.3 Å²	52.3	46%	0.46	24%	0.242	S	C	.	.	S	Bend	trans	-79.9	151.2	179.8	-66.5	167.7	174.3	-155.8	4.5	111.1	Y171 N213 D256	Y171-R176 HydrophobicContact CD1-CG 4.18Å; Y171-R176 HydrophobicContact CD2-CG 4.13Å; Y171-R176 HydrophobicContact CE1-CG 4.41Å; Y171-R176 HydrophobicContact CE2-CG 4.36Å; Y171-R176 HydrophobicContact CG-CG 4.02Å; R176-N213 WeakPolarHBondContact CD-ND2 3.48Å; R176-N213 VanDerWaalsContact CZ-ND2 3.33Å; R176-N213 PolarHBondContact NE-ND2 2.76Å; R176-N213 PolarHBondContact NH1-ND2 2.63Å; R176-N213 PolarHBondContact NH1-OD1 3.28Å; R176-D256 VanDerWaalsContact CA-OD1 3.27Å; R176-D256 WeakPolarHBondContact CA-OD1 3.33Å
177	Y	96.8	Very high	97.5	Very high	96 Å²	96	52.3 Å²	52.3	38%	0.376	24%	0.243	S	C	.	.	S	Bend	trans	57.5	49.2	177.6	-48.7	-43.9	0	0	0	112.5	N213 A214 R254 Y255 D256	Y177-N213 HydrophobicContact CE1-CB 3.88Å; Y177-N213 VanDerWaalsContact OH-CA 3.3Å; Y177-N213 WeakPolarHBondContact OH-CA 3.3Å; Y177-N213 WeakPolarHBondContact OH-CB 3.17Å; Y177-A214 HydrophobicContact CE1-CB 4.38Å; Y177-A214 WeakPolarHBondContact CE1-O 3.3Å; Y177-R254 WeakPolarHBondContact O-CB 3.39Å; Y177-Y255 HydrophobicContact CD1-CD1 4.4Å; Y177-D256 PolarHBondContact N-OD1 2.92Å
178	K	97.9	Very high	97.5	Very high	115 Å²	115	51.7 Å²	51.7	50%	0.5	24%	0.24	S	C	.	.			trans	-119.3	-6.1	-177.3	-63.1	-57.7	176.9	-172.6	0	114.4	P172 D174 Y255	P172-K178 HydrophobicContact CG-CB 4.09Å; D174-K178 HydrophobicContact CB-CG 4.44Å; K178-Y255 PolarHBondContact N-O 3.41Å
179	L	98.3	Very high	97.5	Very high	14 Å²	14	55.7 Å²	55.7	7%	0.073	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-105.6	127.3	-176.5	-56.8	172.6	0	0	0	110.1	Y170 P172 E183 A184 A187 W216 R254 Y255 A257	Y170-L179 HydrophobicContact CD1-CD1 4.35Å; P172-L179 HydrophobicContact CB-CD2 4.39Å; P172-L179 HydrophobicContact CG-CD1 4.49Å; P172-L179 HydrophobicContact CG-CD2 3.84Å; P172-L179 HydrophobicContact CG-CG 4.06Å; L179-E183 WeakPolarHBondContact CA-OE2 3.45Å; L179-E183 HydrophobicContact CB-CB 4.21Å; L179-E183 HydrophobicContact CD2-CB 3.93Å; L179-A184 HydrophobicContact CB-CB 4.05Å; L179-A184 HydrophobicContact CD1-CB 4.33Å; L179-A187 HydrophobicContact CD1-CB 4.06Å; L179-W216 PolarHBondContact O-NE1 2.92Å; L179-R254 VanDerWaalsContact C-CD 3.44Å; L179-R254 CarbonylContact O-C 3.32Å; L179-R254 VanDerWaalsContact O-CA 3.29Å; L179-R254 WeakPolarHBondContact O-CA 3.46Å; L179-Y255 PolarHBondContact N-O 3.19Å; L179-Y255 VanDerWaalsContact N-O 3.12Å; L179-Y255 PolarHBondContact O-N 3.4Å; L179-A257 HydrophobicContact CD1-CB 4.37Å
180	N	98.4	Very high	97.5	Very high	21 Å²	21	61.1 Å²	61.1	11%	0.112	28%	0.282	C	S	.	.			trans	-72.8	179	158.9	74	26.6	0	0	0	109.9	H182 E183 A184 K250 E253	N180-H182 PolarHBondContact O-N 3.44Å; N180-H182 PolarHBondContact OD1-N 3.4Å; N180-H182 VanDerWaalsContact OD1-N 3.08Å; N180-E183 PolarHBondContact N-OE2 3.14Å; N180-E183 PolarHBondContact O-N 2.85Å; N180-E183 WeakPolarHBondContact OD1-CB 3.11Å; N180-E183 VanDerWaalsContact OD1-CG 3.24Å; N180-E183 WeakPolarHBondContact OD1-CG 3.33Å; N180-E183 PolarHBondContact OD1-N 3.28Å; N180-A184 VanDerWaalsContact O-CB 3.25Å; N180-A184 WeakPolarHBondContact O-CB 3.24Å; N180-A184 PolarHBondContact O-N 3.47Å; N180-K250 WeakPolarHBondContact CB-O 3.45Å; N180-E253 WeakPolarHBondContact CA-O 3.43Å
181	Y	98.4	Very high	97.5	Very high	26 Å²	26	60.6 Å²	60.6	10%	0.102	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-45.8	-175.8	173	-94.2	0	0	0	112.4	A184 E185 L195 W216 L217 E218 K250	Y181-A184 WeakPolarHBondContact O-CB 3.49Å; Y181-A184 PolarHBondContact O-N 3.25Å; Y181-E185 PolarHBondContact O-N 2.84Å; Y181-L195 HydrophobicContact CD2-CD1 4.28Å; Y181-L195 HydrophobicContact CE2-CD1 3.78Å; Y181-W216 HydrophobicContact CD2-CD2 4.31Å; Y181-W216 AromaticContact CD2-CE3 3.9Å; Y181-W216 HydrophobicContact CD2-CE3 3.9Å; Y181-W216 HydrophobicContact CD2-CZ3 4.42Å; Y181-L217 WeakPolarHBondContact CE2-O 3.32Å; Y181-E218 PolarHBondContact OH-O 2.74Å; Y181-K250 HydrophobicContact CD1-CB 4.34Å; Y181-K250 HydrophobicContact CD1-CD 3.72Å; Y181-K250 HydrophobicContact CD1-CG 4.06Å; Y181-K250 HydrophobicContact CD2-CD 4.5Å; Y181-K250 HydrophobicContact CD2-CG 4.39Å; Y181-K250 HydrophobicContact CE1-CD 4.06Å; Y181-K250 HydrophobicContact CG-CB 4.19Å; Y181-K250 HydrophobicContact CG-CD 3.95Å; Y181-K250 HydrophobicContact CG-CG 3.82Å; Y181-K250 PolarHBondContact N-O 3.18Å
182	H	98.1	Very high	97.5	Very high	85 Å²	85	60.4 Å²	60.4	39%	0.394	28%	0.281	S	S	.	.	H	α-helix	trans	-67.3	-41.6	-179	-62.5	-65.9	0	0	0	112.1	N180 A184 E185 D186 E251	N180-H182 PolarHBondContact O-N 3.44Å; N180-H182 PolarHBondContact OD1-N 3.4Å; N180-H182 VanDerWaalsContact OD1-N 3.08Å; H182-A184 VanDerWaalsContact C-N 3.28Å; H182-A184 PolarHBondContact O-N 3.36Å; H182-E185 PolarHBondContact O-N 3.1Å; H182-D186 WeakPolarHBondContact O-CB 3.43Å; H182-D186 PolarHBondContact O-N 3.38Å; H182-E251 IonicContact NE2-OE1 3.26Å
183	E	98.4	Very high	97.6	Very high	81 Å²	81	59.8 Å²	59.8	38%	0.379	28%	0.278	S	S	.	.	H	α-helix	trans	-63.5	-35.3	174	-68.8	167.7	159.8	0	0	111.4	L179 N180 A187 R254	L179-E183 WeakPolarHBondContact CA-OE2 3.45Å; L179-E183 HydrophobicContact CB-CB 4.21Å; L179-E183 HydrophobicContact CD2-CB 3.93Å; N180-E183 PolarHBondContact N-OE2 3.14Å; N180-E183 PolarHBondContact O-N 2.85Å; N180-E183 WeakPolarHBondContact OD1-CB 3.11Å; N180-E183 VanDerWaalsContact OD1-CG 3.24Å; N180-E183 WeakPolarHBondContact OD1-CG 3.33Å; N180-E183 PolarHBondContact OD1-N 3.28Å; E183-A187 WeakPolarHBondContact O-CB 3.36Å; E183-A187 PolarHBondContact O-N 3Å; E183-R254 IonicContact OE2-NE 3.41Å
184	A	98.6	Very high	97.7	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.7	-42.3	175.2	0	0	0	0	0	112.3	L179 N180 Y181 H182 A187 C188 L195 W216 A257	L179-A184 HydrophobicContact CB-CB 4.05Å; L179-A184 HydrophobicContact CD1-CB 4.33Å; N180-A184 VanDerWaalsContact O-CB 3.25Å; N180-A184 WeakPolarHBondContact O-CB 3.24Å; N180-A184 PolarHBondContact O-N 3.47Å; Y181-A184 WeakPolarHBondContact O-CB 3.49Å; Y181-A184 PolarHBondContact O-N 3.25Å; H182-A184 VanDerWaalsContact C-N 3.28Å; H182-A184 PolarHBondContact O-N 3.36Å; A184-A187 PolarHBondContact O-N 3.4Å; A184-C188 PolarHBondContact O-N 3.15Å; A184-C188 PolarHBondContact O-SG 3.02Å; A184-C188 VanDerWaalsContact O-SG 3.4Å; A184-L195 HydrophobicContact CB-CD2 4.2Å; A184-W216 HydrophobicContact CB-CB 4.02Å; A184-W216 HydrophobicContact CB-CG 4.04Å; A184-A257 HydrophobicContact CB-CB 3.88Å
185	E	98.1	Very high	97.9	Very high	60 Å²	60	48 Å²	48	28%	0.28	23%	0.225	S	C	.	.	H	α-helix	trans	-59.5	-51.4	173.7	-163.4	-163.2	-166	0	0	111.1	Y181 H182 A187 C188 K189 L195	Y181-E185 PolarHBondContact O-N 2.84Å; H182-E185 PolarHBondContact O-N 3.1Å; E185-A187 VanDerWaalsContact C-N 3.33Å; E185-A187 PolarHBondContact O-N 3.42Å; E185-C188 PolarHBondContact O-N 3.14Å; E185-K189 HydrophobicContact CG-CD 4.47Å; E185-K189 WeakPolarHBondContact O-CG 3.49Å; E185-K189 PolarHBondContact O-N 2.69Å; E185-K189 WeakPolarHBondContact OE1-CE 3.44Å; E185-K189 IonicContact OE1-NZ 3.54Å; E185-K189 PolarHBondContact OE1-NZ 3.21Å; E185-K189 IonicContact OE2-NZ 3.1Å; E185-K189 PolarHBondContact OE2-NZ 2.9Å; E185-L195 HydrophobicContact CB-CD1 3.85Å; E185-L195 HydrophobicContact CB-CG 4.39Å; E185-L195 HydrophobicContact CG-CD1 4.12Å
186	D	98.3	Very high	98	Very high	80 Å²	80	46.9 Å²	46.9	43%	0.428	21%	0.214	S	C	.	.	H	α-helix	trans	-62.3	-40.1	177.7	-78.2	-17.7	0	0	0	111.8	H182 C188 K189 H190	H182-D186 WeakPolarHBondContact O-CB 3.43Å; H182-D186 PolarHBondContact O-N 3.38Å; D186-C188 PolarHBondContact O-N 3.35Å; D186-K189 PolarHBondContact O-N 3.16Å; D186-H190 WeakPolarHBondContact O-CB 3.14Å; D186-H190 PolarHBondContact O-N 3.03Å; D186-H190 PolarHBondContact O-ND1 2.82Å
187	A	98.3	Very high	98	Very high	12 Å²	12	41.3 Å²	41.3	10%	0.099	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-44.1	176.8	0	0	0	0	0	111.9	Y170 L179 E183 A184 E185 H190 Q191	Y170-A187 HydrophobicContact CD1-CB 3.96Å; Y170-A187 HydrophobicContact CE1-CB 3.69Å; L179-A187 HydrophobicContact CD1-CB 4.06Å; E183-A187 WeakPolarHBondContact O-CB 3.36Å; E183-A187 PolarHBondContact O-N 3Å; A184-A187 PolarHBondContact O-N 3.4Å; E185-A187 VanDerWaalsContact C-N 3.33Å; E185-A187 PolarHBondContact O-N 3.42Å; A187-H190 PolarHBondContact O-N 2.04Å; A187-Q191 WeakPolarHBondContact O-CG 3.18Å; A187-Q191 PolarHBondContact O-N 3.23Å
188	C	98.6	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-45.8	174.7	-66.4	0	0	0	0	111.3	A184 E185 D186 H190 Q191 D192 A193 C259	A184-C188 PolarHBondContact O-N 3.15Å; A184-C188 PolarHBondContact O-SG 3.02Å; A184-C188 VanDerWaalsContact O-SG 3.4Å; E185-C188 PolarHBondContact O-N 3.14Å; D186-C188 PolarHBondContact O-N 3.35Å; C188-H190 VanDerWaalsContact C-N 3.34Å; C188-H190 PolarHBondContact O-N 2.94Å; C188-Q191 CarbonylContact O-C 3.46Å; C188-Q191 WeakPolarHBondContact O-CA 3.22Å; C188-Q191 PolarHBondContact O-N 3.05Å; C188-D192 PolarHBondContact O-N 3.44Å; C188-A193 CarbonylContact C-O 3.57Å; C188-A193 HydrophobicContact CB-CB 4.28Å; C188-A193 CarbonylContact O-C 3.58Å; C188-A193 WeakPolarHBondContact O-CA 3.1Å; C188-A193 WeakPolarHBondContact O-CB 3.49Å; C188-A193 PolarHBondContact O-N 2.85Å; C188-C259 WeakPolarHBondContact CA-SG 3.46Å; C188-C259 HydrophobicContact CB-CB 3.78Å; C188-C259 WeakPolarHBondContact CB-SG 3.39Å; C188-C259 WeakPolarHBondContact SG-CA 3.41Å; C188-C259 WeakPolarHBondContact SG-CB 3.44Å; C188-C259 CovalentContact SG-SG 2.04Å; C188-C259 PolarHBondContact SG-SG 2.97Å
189	K	98.1	Very high	97.8	Very high	83 Å²	83	37.6 Å²	37.6	36%	0.361	19%	0.187	S	C	.	.	H	α-helix	trans	-56.4	-46.5	176.6	-72.3	172	-177.4	163.7	0	111.7	E185 D186 Q191 D192 A193	E185-K189 HydrophobicContact CG-CD 4.47Å; E185-K189 WeakPolarHBondContact O-CG 3.49Å; E185-K189 PolarHBondContact O-N 2.69Å; E185-K189 WeakPolarHBondContact OE1-CE 3.44Å; E185-K189 IonicContact OE1-NZ 3.54Å; E185-K189 PolarHBondContact OE1-NZ 3.21Å; E185-K189 IonicContact OE2-NZ 3.1Å; E185-K189 PolarHBondContact OE2-NZ 2.9Å; D186-K189 PolarHBondContact O-N 3.16Å; K189-Q191 PolarHBondContact O-N 3.37Å; K189-Q191 VanDerWaalsContact O-N 3.15Å; K189-D192 PolarHBondContact O-N 3.29Å; K189-D192 VanDerWaalsContact O-N 3.11Å; K189-A193 WeakPolarHBondContact CA-O 3.27Å; K189-A193 PolarHBondContact N-O 3.41Å; K189-A193 VanDerWaalsContact N-O 3.14Å
190	H	98.1	Very high	97.7	Very high	121 Å²	121	37.4 Å²	37.4	56%	0.56	19%	0.186	S	C	*	.	H	α-helix	trans	-59.1	-28.6	176.1	-76.1	105.1	0	0	0	112.6	D186 A187 C188 K295	D186-H190 WeakPolarHBondContact O-CB 3.14Å; D186-H190 PolarHBondContact O-N 3.03Å; D186-H190 PolarHBondContact O-ND1 2.82Å; A187-H190 PolarHBondContact O-N 2.04Å; C188-H190 VanDerWaalsContact C-N 3.34Å; C188-H190 PolarHBondContact O-N 2.94Å; H190-K295 VanDerWaalsContact O-CD 3.26Å; H190-K295 WeakPolarHBondContact O-CD 3.45Å; H190-K295 WeakPolarHBondContact O-CE 3.43Å; H190-K295 PolarHBondContact O-NZ 3.3Å
191	Q	98.4	Very high	97.7	Very high	7 Å²	7	36.4 Å²	36.4	3%	0.033	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	17.2	179	-62.3	-49.5	-56.5	0	0	115.1	F168 Y170 A187 C188 K189 V296 G297	F168-Q191 HydrophobicContact CZ-CB 4.47Å; Y170-Q191 HydrophobicContact CD2-CG 4.07Å; Y170-Q191 HydrophobicContact CE2-CG 3.56Å; A187-Q191 WeakPolarHBondContact O-CG 3.18Å; A187-Q191 PolarHBondContact O-N 3.23Å; C188-Q191 CarbonylContact O-C 3.46Å; C188-Q191 WeakPolarHBondContact O-CA 3.22Å; C188-Q191 PolarHBondContact O-N 3.05Å; K189-Q191 PolarHBondContact O-N 3.37Å; K189-Q191 VanDerWaalsContact O-N 3.15Å; Q191-V296 HydrophobicContact CB-CB 4.28Å; Q191-V296 HydrophobicContact CG-CB 4.2Å; Q191-V296 HydrophobicContact CG-CG2 4.48Å; Q191-V296 VanDerWaalsContact OE1-CG2 3.26Å; Q191-G297 WeakPolarHBondContact O-CA 3.47Å; Q191-G297 PolarHBondContact O-N 2.78Å
192	D	97.9	Very high	97.6	Very high	27 Å²	27	38.7 Å²	38.7	14%	0.144	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	46.3	-177	-170.6	54.1	0	0	0	112.2	R63 C188 K189 T261 K295 Q298	R63-D192 IonicContact CZ-OD1 2.65Å; R63-D192 VanDerWaalsContact NH1-CG 3.25Å; R63-D192 IonicContact NH1-OD1 3.12Å; R63-D192 PolarHBondContact NH1-OD1 2.98Å; R63-D192 IonicContact NH1-OD2 3.14Å; R63-D192 PolarHBondContact NH1-OD2 3.38Å; R63-D192 VanDerWaalsContact NH1-OD2 3.1Å; R63-D192 IonicContact NH2-OD1 3.39Å; R63-D192 PolarHBondContact NH2-OD1 3.1Å; R63-D192 VanDerWaalsContact NH2-OD1 3.08Å; C188-D192 PolarHBondContact O-N 3.44Å; K189-D192 PolarHBondContact O-N 3.29Å; K189-D192 VanDerWaalsContact O-N 3.11Å; D192-T261 WeakPolarHBondContact O-CB 3.22Å; D192-T261 PolarHBondContact O-OG1 2.78Å; D192-K295 HydrophobicContact CB-CD 3.97Å; D192-Q298 HydrophobicContact CB-CG 4.06Å
193	A	98.2	Very high	97.5	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.033	20%	0.195	C	C	.	.			trans	-148.4	171.2	-177.6	0	0	0	0	0	110.9	F168 C188 K189 C259 F260	F168-A193 HydrophobicContact CE1-CB 3.79Å; F168-A193 HydrophobicContact CZ-CB 3.68Å; C188-A193 CarbonylContact C-O 3.57Å; C188-A193 HydrophobicContact CB-CB 4.28Å; C188-A193 CarbonylContact O-C 3.58Å; C188-A193 WeakPolarHBondContact O-CA 3.1Å; C188-A193 WeakPolarHBondContact O-CB 3.49Å; C188-A193 PolarHBondContact O-N 2.85Å; K189-A193 WeakPolarHBondContact CA-O 3.27Å; K189-A193 PolarHBondContact N-O 3.41Å; K189-A193 VanDerWaalsContact N-O 3.14Å; A193-C259 HydrophobicContact CB-CB 3.8Å; A193-F260 CarbonylContact C-O 3.57Å; A193-F260 WeakPolarHBondContact CA-O 3.07Å; A193-F260 VanDerWaalsContact CB-O 3.22Å; A193-F260 WeakPolarHBondContact CB-O 3.49Å
194	I	97.7	Very high	97.4	Very high	25 Å²	25	36.3 Å²	36.3	13%	0.128	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	170.6	167.4	55.5	169.7	0	0	0	109	L138 Y141 C259 F260	L138-I194 HydrophobicContact CB-CG2 4.03Å; Y141-I194 HydrophobicContact CD1-CD1 4.35Å; I194-C259 CarbonylContact O-C 3.46Å; I194-C259 VanDerWaalsContact O-CA 3.24Å; I194-C259 WeakPolarHBondContact O-CA 3.15Å; I194-F260 HydrophobicContact CD1-CD1 4.23Å; I194-F260 HydrophobicContact CG1-CB 4.37Å; I194-F260 HydrophobicContact CG1-CD1 4.03Å; I194-F260 PolarHBondContact N-O 3.11Å; I194-F260 PolarHBondContact O-N 2.81Å
195	L	98	Very high	97.4	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	141.1	167.9	-75.2	169.1	0	0	0	109.5	Y181 A184 E185 W216 E218 A257	Y181-L195 HydrophobicContact CD2-CD1 4.28Å; Y181-L195 HydrophobicContact CE2-CD1 3.78Å; A184-L195 HydrophobicContact CB-CD2 4.2Å; E185-L195 HydrophobicContact CB-CD1 3.85Å; E185-L195 HydrophobicContact CB-CG 4.39Å; E185-L195 HydrophobicContact CG-CD1 4.12Å; L195-W216 HydrophobicContact CD2-CB 4.26Å; L195-E218 HydrophobicContact CB-CB 4Å; L195-A257 HydrophobicContact CD2-CB 4.16Å
196	A	98.1	Very high	97.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-75.5	146.5	178	0	0	0	0	0	110.7	V167 Q200 L217 E218 F258 F260	V167-A196 HydrophobicContact CG1-CB 4.05Å; V167-A196 HydrophobicContact CG2-CB 3.94Å; A196-Q200 HydrophobicContact CB-CB 4.46Å; A196-L217 HydrophobicContact CB-CD2 4.21Å; A196-L217 WeakPolarHBondContact O-CA 3.32Å; A196-L217 WeakPolarHBondContact O-CB 3.5Å; A196-L217 WeakPolarHBondContact O-CD2 3.48Å; A196-E218 PolarHBondContact O-N 2.84Å; A196-F258 HydrophobicContact CB-CB 4.2Å; A196-F258 WeakPolarHBondContact CB-O 3.43Å; A196-F258 PolarHBondContact N-O 2.89Å; A196-F260 HydrophobicContact CB-CB 3.94Å
197	S	95.8	Very high	97.1	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.028	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-77	159.9	167.1	77	0	0	0	0	111.6	Y141 S199 Q200 L201 E218	Y141-S197 VanDerWaalsContact OH-CB 3.28Å; Y141-S197 WeakPolarHBondContact OH-CB 3.3Å; Y141-S197 PolarHBondContact OH-OG 3.19Å; S197-S199 PolarHBondContact O-N 3.25Å; S197-S199 PolarHBondContact OG-OG 2.61Å; S197-Q200 PolarHBondContact O-N 3.34Å; S197-Q200 VanDerWaalsContact O-N 3.13Å; S197-Q200 WeakPolarHBondContact OG-CG 3.03Å; S197-Q200 PolarHBondContact OG-N 2.64Å; S197-L201 PolarHBondContact O-N 3.29Å; S197-E218 VanDerWaalsContact CB-CD 3.48Å; S197-E218 WeakPolarHBondContact CB-OE1 3.48Å
198	H	95.3	Very high	96.8	Very high	78 Å²	78	44.5 Å²	44.5	36%	0.361	23%	0.23	S	C	.	.	H	α-helix	trans	-54.7	-41.6	172	174.1	76.6	0	0	0	111.5	Q200 L201 H202 L217 Q223	H198-Q200 VanDerWaalsContact C-N 3.32Å; H198-Q200 PolarHBondContact O-N 3.47Å; H198-L201 PolarHBondContact O-N 3.42Å; H198-H202 VanDerWaalsContact O-CB 3.31Å; H198-H202 WeakPolarHBondContact O-CB 3.29Å; H198-H202 PolarHBondContact O-N 2.71Å; H198-L217 HydrophobicContact CB-CD1 4.2Å; H198-Q223 PolarHBondContact CE1-OE1 3.42Å; H198-Q223 VanDerWaalsContact CE1-OE1 3.3Å; H198-Q223 PolarHBondContact ND1-NE2 2.91Å; H198-Q223 PolarHBondContact ND1-OE1 3.32Å
199	S	93.9	Very high	96.7	Very high	55 Å²	55	46.1 Å²	46.1	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-62.8	-38.5	179.3	75	0	0	0	0	112.5	S197 K203	S197-S199 PolarHBondContact O-N 3.25Å; S197-S199 PolarHBondContact OG-OG 2.61Å; S199-K203 WeakPolarHBondContact O-CB 3.16Å; S199-K203 PolarHBondContact O-N 3.45Å
200	Q	96.6	Very high	96.5	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-70.1	-42.7	176.3	-70.6	166.7	-9.3	0	0	111.3	V167 A196 S197 H198 K203 A204 F260	V167-Q200 HydrophobicContact CG2-CB 3.78Å; A196-Q200 HydrophobicContact CB-CB 4.46Å; S197-Q200 PolarHBondContact O-N 3.34Å; S197-Q200 VanDerWaalsContact O-N 3.13Å; S197-Q200 WeakPolarHBondContact OG-CG 3.03Å; S197-Q200 PolarHBondContact OG-N 2.64Å; H198-Q200 VanDerWaalsContact C-N 3.32Å; H198-Q200 PolarHBondContact O-N 3.47Å; Q200-K203 PolarHBondContact O-N 2.83Å; Q200-A204 WeakPolarHBondContact O-CB 3.45Å; Q200-A204 PolarHBondContact O-N 3.03Å; Q200-F260 HydrophobicContact CB-CD2 4.26Å; Q200-F260 VanDerWaalsContact CD-CD2 3.47Å; Q200-F260 HydrophobicContact CG-CD2 4.02Å; Q200-F260 HydrophobicContact CG-CE2 4.12Å; Q200-F260 VanDerWaalsContact OE1-CG 3.28Å
201	L	97.9	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-44.5	176.2	-177.4	65.3	0	0	0	111.5	V167 S197 H198 A204 W205 L209 L217 Q223 P225 V242 F258	V167-L201 HydrophobicContact CG1-CD1 4.02Å; S197-L201 PolarHBondContact O-N 3.29Å; H198-L201 PolarHBondContact O-N 3.42Å; L201-A204 PolarHBondContact O-N 2.89Å; L201-W205 PolarHBondContact O-N 3.08Å; L201-L209 HydrophobicContact CD1-CD2 3.99Å; L201-L217 HydrophobicContact CB-CD2 4.21Å; L201-L217 HydrophobicContact CD2-CD1 4.1Å; L201-L217 HydrophobicContact CD2-CD2 4Å; L201-Q223 HydrophobicContact CD2-CB 3.98Å; L201-P225 HydrophobicContact CD1-CG 3.91Å; L201-V242 HydrophobicContact CD2-CG1 3.73Å; L201-V242 HydrophobicContact CG-CG1 4.33Å; L201-F258 HydrophobicContact CD1-CB 4.38Å; L201-F258 HydrophobicContact CD1-CD1 3.64Å; L201-F258 HydrophobicContact CD1-CD2 4.25Å; L201-F258 HydrophobicContact CD1-CE1 3.92Å; L201-F258 HydrophobicContact CD1-CG 3.82Å; L201-F258 HydrophobicContact CD1-CZ 4.35Å; L201-F258 HydrophobicContact CD2-CD2 4.27Å; L201-F258 HydrophobicContact CD2-CE2 4.48Å
202	H	96.9	Very high	96.2	Very high	74 Å²	74	42.5 Å²	42.5	34%	0.343	23%	0.226	S	C	.	.	H	α-helix	trans	-61.6	-43.7	177.2	-176.2	-94.1	0	0	0	111.6	H198 A204 W205 L206 V242	H198-H202 VanDerWaalsContact O-CB 3.31Å; H198-H202 WeakPolarHBondContact O-CB 3.29Å; H198-H202 PolarHBondContact O-N 2.71Å; H202-A204 PolarHBondContact O-N 2.8Å; H202-W205 AromaticContact NE2-CE3 3.89Å; H202-W205 AromaticContact NE2-CZ3 3.73Å; H202-W205 WeakPolarHBondContact O-CB 3.44Å; H202-W205 PolarHBondContact O-N 3.47Å; H202-L206 WeakPolarHBondContact O-CG 3.43Å; H202-L206 PolarHBondContact O-N 3.24Å; H202-V242 HydrophobicContact CB-CG2 4.34Å
203	K	96.1	Very high	96.1	Very high	103 Å²	103	41.5 Å²	41.5	45%	0.448	22%	0.221	S	C	.	.	H	α-helix	trans	-60.1	-44.5	172.8	-176.5	179.5	176.3	-177.4	0	111.8	S199 Q200 W205 L206 E207	S199-K203 WeakPolarHBondContact O-CB 3.16Å; S199-K203 PolarHBondContact O-N 3.45Å; Q200-K203 PolarHBondContact O-N 2.83Å; K203-W205 VanDerWaalsContact C-N 3.3Å; K203-W205 PolarHBondContact O-N 2.93Å; K203-L206 WeakPolarHBondContact O-CB 3.25Å; K203-L206 PolarHBondContact O-N 2.81Å; K203-E207 VanDerWaalsContact CE-OE1 3.26Å; K203-E207 WeakPolarHBondContact CE-OE1 3.43Å; K203-E207 WeakPolarHBondContact O-CG 3.49Å; K203-E207 PolarHBondContact O-N 3.12Å
204	A	97.2	Very high	96	Very high	13 Å²	13	41.4 Å²	41.4	11%	0.107	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-37.3	178.1	0	0	0	0	0	112.4	V167 Q200 L201 H202 E207 G208 L209	V167-A204 HydrophobicContact CB-CB 3.77Å; V167-A204 HydrophobicContact CG1-CB 4.48Å; V167-A204 HydrophobicContact CG2-CB 4.12Å; Q200-A204 WeakPolarHBondContact O-CB 3.45Å; Q200-A204 PolarHBondContact O-N 3.03Å; L201-A204 PolarHBondContact O-N 2.89Å; H202-A204 PolarHBondContact O-N 2.8Å; A204-E207 CarbonylContact O-C 3.56Å; A204-E207 PolarHBondContact O-N 3.44Å; A204-G208 PolarHBondContact O-N 3.48Å; A204-L209 VanDerWaalsContact C-CB 3.49Å; A204-L209 HydrophobicContact CB-CB 4.11Å; A204-L209 HydrophobicContact CB-CD2 3.76Å; A204-L209 WeakPolarHBondContact O-CB 3.41Å; A204-L209 PolarHBondContact O-N 3.15Å
205	W	97.1	Very high	96	Very high	48 Å²	48	40.2 Å²	40.2	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-44.9	172.6	169.8	72.1	0	0	0	112.5	L201 H202 K203 E207 G208 P225 I226 A240 G241 V242	L201-W205 PolarHBondContact O-N 3.08Å; H202-W205 AromaticContact NE2-CE3 3.89Å; H202-W205 AromaticContact NE2-CZ3 3.73Å; H202-W205 WeakPolarHBondContact O-CB 3.44Å; H202-W205 PolarHBondContact O-N 3.47Å; K203-W205 VanDerWaalsContact C-N 3.3Å; K203-W205 PolarHBondContact O-N 2.93Å; W205-E207 PolarHBondContact O-N 3.06Å; W205-G208 WeakPolarHBondContact O-CA 3.29Å; W205-G208 PolarHBondContact O-N 2.91Å; W205-P225 HydrophobicContact CB-CB 3.71Å; W205-P225 HydrophobicContact CG-CB 4.02Å; W205-I226 PolarHBondContact NE1-O 2.87Å; W205-A240 HydrophobicContact CZ2-CB 4.17Å; W205-G241 VanDerWaalsContact CZ2-CA 3.49Å; W205-V242 HydrophobicContact CB-CG2 3.9Å; W205-V242 HydrophobicContact CD2-CG2 4.32Å; W205-V242 HydrophobicContact CE3-CG2 4.46Å; W205-V242 HydrophobicContact CG-CG2 4.06Å
206	L	96.4	Very high	96.1	Very high	117 Å²	117	40 Å²	40	61%	0.613	21%	0.212	S	C	*	.	H	α-helix	trans	-58.4	-31.6	173.2	-70.4	172.7	0	0	0	112.1	H202 K203 G208	H202-L206 WeakPolarHBondContact O-CG 3.43Å; H202-L206 PolarHBondContact O-N 3.24Å; K203-L206 WeakPolarHBondContact O-CB 3.25Å; K203-L206 PolarHBondContact O-N 2.81Å; L206-G208 PolarHBondContact O-N 2.9Å
207	E	93.9	Very high	96.1	Very high	108 Å²	108	40 Å²	40	51%	0.505	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	6.2	173.6	-66.9	-179.1	-163.2	0	0	113.7	K203 A204 W205 K304	K203-E207 VanDerWaalsContact CE-OE1 3.26Å; K203-E207 WeakPolarHBondContact CE-OE1 3.43Å; K203-E207 WeakPolarHBondContact O-CG 3.49Å; K203-E207 PolarHBondContact O-N 3.12Å; A204-E207 CarbonylContact O-C 3.56Å; A204-E207 PolarHBondContact O-N 3.44Å; W205-E207 PolarHBondContact O-N 3.06Å; E207-K304 IonicContact OE2-NZ 2.77Å; E207-K304 PolarHBondContact OE2-NZ 2.04Å
208	G	93.5	Very high	96.1	Very high	51 Å²	51	43.1 Å²	43.1	53%	0.526	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	15	173.9	0	0	0	0	0	115.4	A204 W205 L206 D210	A204-G208 PolarHBondContact O-N 3.48Å; W205-G208 WeakPolarHBondContact O-CA 3.29Å; W205-G208 PolarHBondContact O-N 2.91Å; L206-G208 PolarHBondContact O-N 2.9Å; G208-D210 PolarHBondContact O-N 3.12Å
209	L	95.1	Very high	96	Very high	35 Å²	35	42.1 Å²	42.1	18%	0.183	22%	0.224	C	C	.	.			trans	-63.4	124.9	171.4	-178	63.4	0	0	0	110.1	V167 L201 A204 P225 S227 F258	V167-L209 HydrophobicContact CG1-CD2 4.27Å; L201-L209 HydrophobicContact CD1-CD2 3.99Å; A204-L209 VanDerWaalsContact C-CB 3.49Å; A204-L209 HydrophobicContact CB-CB 4.11Å; A204-L209 HydrophobicContact CB-CD2 3.76Å; A204-L209 WeakPolarHBondContact O-CB 3.41Å; A204-L209 PolarHBondContact O-N 3.15Å; L209-P225 HydrophobicContact CD2-CG 3.85Å; L209-P225 HydrophobicContact CG-CG 3.85Å; L209-S227 PolarHBondContact O-OG 2.78Å; L209-F258 HydrophobicContact CD2-CE1 4.38Å
210	D	94.3	Very high	96	Very high	41 Å²	41	39.6 Å²	39.6	22%	0.219	21%	0.206	C	C	.	.			trans	-130.5	113.2	178	-177.1	94.2	0	0	0	109.2	G208 S227 N228 R230	G208-D210 PolarHBondContact O-N 3.12Å; D210-S227 PolarHBondContact OD1-N 3.31Å; D210-N228 PolarHBondContact OD1-N 2.78Å; D210-R230 VanDerWaalsContact CG-NH1 3.27Å; D210-R230 IonicContact OD1-NH1 3.78Å; D210-R230 PolarHBondContact OD1-NH1 2.65Å; D210-R230 IonicContact OD2-CZ 3.74Å; D210-R230 IonicContact OD2-NH1 2.6Å; D210-R230 PolarHBondContact OD2-NH1 2.88Å; D210-R230 IonicContact OD2-NH2 3Å; D210-R230 PolarHBondContact OD2-NH2 3.46Å
211	W	95.6	Very high	96.1	Very high	56 Å²	56	39.2 Å²	39.2	21%	0.212	21%	0.205	C	C	.	.			trans	-144.7	120.7	-176	-161.4	-104.5	0	0	0	111.8	P169 Y171 N213 P225 F258	P169-W211 HydrophobicContact CB-CD2 3.61Å; P169-W211 HydrophobicContact CB-CE3 4.23Å; P169-W211 HydrophobicContact CB-CG 3.89Å; P169-W211 HydrophobicContact CB-CH2 4.28Å; P169-W211 HydrophobicContact CB-CZ2 3.7Å; P169-W211 HydrophobicContact CG-CD2 3.49Å; P169-W211 VanDerWaalsContact CG-CD2 3.49Å; P169-W211 HydrophobicContact CG-CE3 3.58Å; P169-W211 HydrophobicContact CG-CG 4.09Å; P169-W211 HydrophobicContact CG-CH2 3.79Å; P169-W211 HydrophobicContact CG-CZ2 3.73Å; P169-W211 HydrophobicContact CG-CZ3 3.72Å; Y171-W211 HydrophobicContact CD1-CZ2 4.43Å; Y171-W211 HydrophobicContact CE1-CZ2 4.24Å; W211-N213 VanDerWaalsContact C-N 3.28Å; W211-N213 PolarHBondContact O-N 3.45Å; W211-P225 HydrophobicContact CB-CG 4.25Å; W211-P225 PolarHBondContact N-O 3.26Å; W211-P225 VanDerWaalsContact O-O 3.13Å; W211-F258 HydrophobicContact CB-CE1 4.15Å; W211-F258 HydrophobicContact CB-CZ 4.14Å; W211-F258 AromaticContact CD1-CZ 3.7Å; W211-F258 HydrophobicContact CG-CE1 4.24Å; W211-F258 HydrophobicContact CG-CZ 4.21Å
212	C	94.2	Very high	96.1	Very high	37 Å²	37	39.2 Å²	39.2	25%	0.25	21%	0.205	C	C	.	.			trans	-87.1	13	-171.8	-166.9	0	0	0	0	114.6	Q232 C233	C212-Q232 PolarHBondContact SG-O 2.92Å; C212-C233 HydrophobicContact CB-CB 4.04Å; C212-C233 WeakPolarHBondContact CB-SG 3.24Å; C212-C233 WeakPolarHBondContact SG-CA 3.3Å; C212-C233 WeakPolarHBondContact SG-CB 3.42Å; C212-C233 CovalentContact SG-SG 2Å; C212-C233 PolarHBondContact SG-SG 2.73Å
213	N	95.4	Very high	96.1	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.037	19%	0.189	C	C	.	.	S	Bend	trans	-119.9	134.6	179.9	-56.4	11.1	0	0	0	110.1	R176 Y177 W211 Y224 D256	R176-N213 WeakPolarHBondContact CD-ND2 3.48Å; R176-N213 VanDerWaalsContact CZ-ND2 3.33Å; R176-N213 PolarHBondContact NE-ND2 2.76Å; R176-N213 PolarHBondContact NH1-ND2 2.63Å; R176-N213 PolarHBondContact NH1-OD1 3.28Å; Y177-N213 HydrophobicContact CE1-CB 3.88Å; Y177-N213 VanDerWaalsContact OH-CA 3.3Å; Y177-N213 WeakPolarHBondContact OH-CA 3.3Å; Y177-N213 WeakPolarHBondContact OH-CB 3.17Å; W211-N213 VanDerWaalsContact C-N 3.28Å; W211-N213 PolarHBondContact O-N 3.45Å; N213-Y224 WeakPolarHBondContact O-CB 3.4Å; N213-D256 WeakPolarHBondContact CB-OD2 3.27Å; N213-D256 PolarHBondContact ND2-OD2 2Å
214	A	97.3	Very high	96.2	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.017	17%	0.171	C	C	.	.			trans	-65.2	133.9	171.1	0	0	0	0	0	111	Y177 V222 Y224 Y245 Y255 D256	Y177-A214 HydrophobicContact CE1-CB 4.38Å; Y177-A214 WeakPolarHBondContact CE1-O 3.3Å; A214-V222 HydrophobicContact CB-CG1 3.71Å; A214-Y224 HydrophobicContact CB-CD1 4.27Å; A214-Y245 HydrophobicContact CB-CD2 4.07Å; A214-Y245 HydrophobicContact CB-CE2 3.78Å; A214-Y255 HydrophobicContact CB-CD1 3.81Å; A214-Y255 HydrophobicContact CB-CE1 4.17Å; A214-D256 PolarHBondContact O-N 2.85Å; A214-D256 VanDerWaalsContact O-N 3.15Å
215	G	98.4	Very high	96.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.1	178	0	0	0	0	0	112.7	V222 Q223 D256	G215-V222 WeakPolarHBondContact O-CA 3.24Å; G215-Q223 PolarHBondContact N-O 2.77Å; G215-Q223 PolarHBondContact O-N 3.25Å; G215-D256 CarbonylContact C-O 3.4Å; G215-D256 WeakPolarHBondContact CA-O 3.48Å
216	W	98.7	Very high	96.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	144.1	175.1	-65.7	108.1	0	0	0	112	L179 Y181 A184 L195 G220 V222 R248 E253 Y255 D256 F258	L179-W216 PolarHBondContact O-NE1 2.92Å; Y181-W216 HydrophobicContact CD2-CD2 4.31Å; Y181-W216 AromaticContact CD2-CE3 3.9Å; Y181-W216 HydrophobicContact CD2-CE3 3.9Å; Y181-W216 HydrophobicContact CD2-CZ3 4.42Å; A184-W216 HydrophobicContact CB-CB 4.02Å; A184-W216 HydrophobicContact CB-CG 4.04Å; L195-W216 HydrophobicContact CD2-CB 4.26Å; W216-G220 WeakPolarHBondContact CZ3-O 3.29Å; W216-V222 HydrophobicContact CD2-CG2 3.7Å; W216-V222 HydrophobicContact CE3-CG2 3.32Å; W216-V222 HydrophobicContact CG-CG2 4.42Å; W216-V222 HydrophobicContact CH2-CG2 4.11Å; W216-V222 HydrophobicContact CZ2-CG2 4.42Å; W216-V222 HydrophobicContact CZ3-CG2 3.56Å; W216-R248 HydrophobicContact CH2-CB 3.59Å; W216-R248 HydrophobicContact CZ3-CB 3.71Å; W216-E253 HydrophobicContact CH2-CB 4.36Å; W216-E253 HydrophobicContact CZ2-CB 4.21Å; W216-Y255 HydrophobicContact CD2-CD2 4.36Å; W216-Y255 AromaticContact CE2-CD2 3.7Å; W216-Y255 HydrophobicContact CH2-CD2 4.27Å; W216-Y255 HydrophobicContact CH2-CE2 4.5Å; W216-Y255 AromaticContact CZ2-CD2 3.66Å; W216-Y255 HydrophobicContact CZ2-CD2 3.66Å; W216-Y255 HydrophobicContact CZ2-CE2 4.23Å; W216-Y255 AromaticContact NE1-CD2 3.95Å; W216-D256 VanDerWaalsContact CD1-O 3.29Å; W216-D256 PolarHBondContact N-O 3.28Å; W216-F258 PolarHBondContact O-N 3.05Å; W216-F258 VanDerWaalsContact O-N 3.16Å
217	L	98.2	Very high	96	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.			trans	-115.9	168.1	168.5	-63.2	-178.1	0	0	0	110.6	Y181 A196 H198 L201 D219 G220 S221 Q223 F258	Y181-L217 WeakPolarHBondContact CE2-O 3.32Å; A196-L217 HydrophobicContact CB-CD2 4.21Å; A196-L217 WeakPolarHBondContact O-CA 3.32Å; A196-L217 WeakPolarHBondContact O-CB 3.5Å; A196-L217 WeakPolarHBondContact O-CD2 3.48Å; H198-L217 HydrophobicContact CB-CD1 4.2Å; L201-L217 HydrophobicContact CB-CD2 4.21Å; L201-L217 HydrophobicContact CD2-CD1 4.1Å; L201-L217 HydrophobicContact CD2-CD2 4Å; L217-D219 PolarHBondContact O-N 2.6Å; L217-G220 PolarHBondContact O-N 3.43Å; L217-S221 PolarHBondContact N-O 3.22Å; L217-Q223 HydrophobicContact CD1-CB 4Å; L217-Q223 HydrophobicContact CD1-CG 3.75Å; L217-F258 HydrophobicContact CD2-CB 3.89Å; L217-F258 HydrophobicContact CD2-CD2 4.37Å; L217-F258 HydrophobicContact CD2-CG 4.49Å
218	E	95.3	Very high	95.9	Very high	70 Å²	70	24.1 Å²	24.1	33%	0.327	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.8	-173.7	77.6	179.5	171	0	0	113.5	Y141 Y181 L195 A196 S197 G220	Y141-E218 VanDerWaalsContact CE1-OE2 3.31Å; Y141-E218 WeakPolarHBondContact CE1-OE2 3.42Å; Y181-E218 PolarHBondContact OH-O 2.74Å; L195-E218 HydrophobicContact CB-CB 4Å; A196-E218 PolarHBondContact O-N 2.84Å; S197-E218 VanDerWaalsContact CB-CD 3.48Å; S197-E218 WeakPolarHBondContact CB-OE1 3.48Å; E218-G220 PolarHBondContact O-N 2.87Å
219	D	93.5	Very high	95.8	Very high	58 Å²	58	24.1 Å²	24.1	31%	0.31	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.7	-177.8	65.4	-9.2	0	0	0	113.2	L217 S221 Y247	L217-D219 PolarHBondContact O-N 2.6Å; D219-S221 VanDerWaalsContact C-N 3.28Å; D219-S221 WeakPolarHBondContact OD1-CB 3.42Å; D219-S221 PolarHBondContact OD1-N 2.95Å; D219-S221 PolarHBondContact OD1-OG 3.16Å; D219-S221 PolarHBondContact OD2-OG 2.77Å; D219-Y247 HydrophobicContact CB-CE1 4.22Å; D219-Y247 WeakPolarHBondContact O-CE1 3.25Å
220	G	95.2	Very high	95.7	Very high	1 Å²	1	25 Å²	25	1%	0.01	13%	0.13	C	C	.	.	S	Bend	trans	79.4	9.2	-174.3	0	0	0	0	0	113.7	W216 L217 E218 R248	W216-G220 WeakPolarHBondContact CZ3-O 3.29Å; L217-G220 PolarHBondContact O-N 3.43Å; E218-G220 PolarHBondContact O-N 2.87Å; G220-R248 PolarHBondContact O-N 3.3Å
221	S	97.3	Very high	95.5	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.014	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	156.9	166	74.1	0	0	0	0	111.2	L217 D219 Q223 G246	L217-S221 PolarHBondContact N-O 3.22Å; D219-S221 VanDerWaalsContact C-N 3.28Å; D219-S221 WeakPolarHBondContact OD1-CB 3.42Å; D219-S221 PolarHBondContact OD1-N 2.95Å; D219-S221 PolarHBondContact OD1-OG 3.16Å; D219-S221 PolarHBondContact OD2-OG 2.77Å; S221-Q223 PolarHBondContact OG-NE2 2.82Å; S221-G246 WeakPolarHBondContact CA-O 3.32Å
222	V	98.3	Very high	95.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.8	178	173.4	0	0	0	0	109.4	A214 G215 W216 Y245 G246 R248 Y255	A214-V222 HydrophobicContact CB-CG1 3.71Å; G215-V222 WeakPolarHBondContact O-CA 3.24Å; W216-V222 HydrophobicContact CD2-CG2 3.7Å; W216-V222 HydrophobicContact CE3-CG2 3.32Å; W216-V222 HydrophobicContact CG-CG2 4.42Å; W216-V222 HydrophobicContact CH2-CG2 4.11Å; W216-V222 HydrophobicContact CZ2-CG2 4.42Å; W216-V222 HydrophobicContact CZ3-CG2 3.56Å; V222-Y245 HydrophobicContact CG1-CD2 4.08Å; V222-Y245 WeakPolarHBondContact O-CB 3.46Å; V222-Y245 PolarHBondContact O-N 2.85Å; V222-G246 PolarHBondContact N-O 3Å; V222-R248 HydrophobicContact CB-CG 3.76Å; V222-R248 HydrophobicContact CG2-CB 3.99Å; V222-R248 HydrophobicContact CG2-CG 3.5Å; V222-Y255 HydrophobicContact CB-CD2 4.34Å; V222-Y255 HydrophobicContact CB-CE2 4.34Å; V222-Y255 HydrophobicContact CG1-CD1 3.7Å; V222-Y255 HydrophobicContact CG1-CD2 3.95Å; V222-Y255 HydrophobicContact CG1-CE1 3.87Å; V222-Y255 HydrophobicContact CG1-CE2 4.09Å; V222-Y255 HydrophobicContact CG1-CG 3.73Å; V222-Y255 HydrophobicContact CG2-CD2 3.56Å; V222-Y255 HydrophobicContact CG2-CE2 3.76Å; V222-Y255 HydrophobicContact CG2-CG 4.1Å
223	Q	97.8	Very high	94.9	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.019	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	167.1	-171.6	-51.8	-167.2	26.3	0	0	111.6	H198 L201 G215 L217 S221 V242 R243 N244 F258	H198-Q223 PolarHBondContact CE1-OE1 3.42Å; H198-Q223 VanDerWaalsContact CE1-OE1 3.3Å; H198-Q223 PolarHBondContact ND1-NE2 2.91Å; H198-Q223 PolarHBondContact ND1-OE1 3.32Å; L201-Q223 HydrophobicContact CD2-CB 3.98Å; G215-Q223 PolarHBondContact N-O 2.77Å; G215-Q223 PolarHBondContact O-N 3.25Å; L217-Q223 HydrophobicContact CD1-CB 4Å; L217-Q223 HydrophobicContact CD1-CG 3.75Å; S221-Q223 PolarHBondContact OG-NE2 2.82Å; Q223-V242 HydrophobicContact CB-CG1 3.97Å; Q223-V242 VanDerWaalsContact OE1-CG1 3.25Å; Q223-R243 CarbonylContact C-O 3.27Å; Q223-R243 WeakPolarHBondContact CA-O 3.43Å; Q223-R243 VanDerWaalsContact CB-O 3.31Å; Q223-R243 WeakPolarHBondContact CB-O 3.5Å; Q223-N244 HydrophobicContact CG-CB 4.31Å; Q223-F258 WeakPolarHBondContact O-CE2 3.29Å
224	Y	97.3	Very high	94.1	Very high	17 Å²	17	31 Å²	31	7%	0.067	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	137.4	170	64.7	-75.8	0	0	0	113.1	N213 A214 I226 R243 Y245	N213-Y224 WeakPolarHBondContact O-CB 3.4Å; A214-Y224 HydrophobicContact CB-CD1 4.27Å; Y224-I226 HydrophobicContact CD2-CD1 3.73Å; Y224-I226 HydrophobicContact CD2-CG1 3.71Å; Y224-I226 HydrophobicContact CE2-CD1 3.82Å; Y224-I226 HydrophobicContact CE2-CG1 3.59Å; Y224-R243 HydrophobicContact CD1-CB 3.99Å; Y224-R243 HydrophobicContact CE1-CB 3.59Å; Y224-R243 HydrophobicContact CE2-CB 4.25Å; Y224-R243 HydrophobicContact CE2-CG 4.45Å; Y224-R243 HydrophobicContact CG-CB 4.45Å; Y224-R243 PolarHBondContact N-O 3.02Å; Y224-R243 PolarHBondContact O-N 3.37Å; Y224-R243 WeakPolarHBondContact OH-CD 3.38Å; Y224-R243 PolarHBondContact OH-NH1 2.81Å; Y224-Y245 HydrophobicContact CE1-CD1 4.42Å; Y224-Y245 AromaticContact CE1-CE1 3.73Å; Y224-Y245 HydrophobicContact CE1-CE1 3.73Å
225	P	96.9	Very high	93.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.3	-177.3	34.6	-33.8	0	0	0	112.3	L201 W205 L209 W211 V242 F258	L201-P225 HydrophobicContact CD1-CG 3.91Å; W205-P225 HydrophobicContact CB-CB 3.71Å; W205-P225 HydrophobicContact CG-CB 4.02Å; L209-P225 HydrophobicContact CD2-CG 3.85Å; L209-P225 HydrophobicContact CG-CG 3.85Å; W211-P225 HydrophobicContact CB-CG 4.25Å; W211-P225 PolarHBondContact N-O 3.26Å; W211-P225 VanDerWaalsContact O-O 3.13Å; P225-V242 HydrophobicContact CB-CG2 4.34Å; P225-F258 VanDerWaalsContact CD-CZ 3.42Å; P225-F258 HydrophobicContact CG-CE1 4.26Å; P225-F258 HydrophobicContact CG-CZ 4.27Å
226	I	96.1	Very high	92.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	111.4	173.6	-60.8	-61	0	0	0	109	W205 Y224 C233 A240 G241	W205-I226 PolarHBondContact NE1-O 2.87Å; Y224-I226 HydrophobicContact CD2-CD1 3.73Å; Y224-I226 HydrophobicContact CD2-CG1 3.71Å; Y224-I226 HydrophobicContact CE2-CD1 3.82Å; Y224-I226 HydrophobicContact CE2-CG1 3.59Å; I226-C233 HydrophobicContact CD1-CB 3.62Å; I226-C233 HydrophobicContact CG1-CB 4.36Å; I226-A240 CarbonylContact O-C 3.55Å; I226-A240 WeakPolarHBondContact O-CA 3.34Å; I226-A240 WeakPolarHBondContact O-CB 3.48Å; I226-G241 PolarHBondContact N-O 3.3Å; I226-G241 PolarHBondContact O-N 3.21Å
227	S	93.2	Very high	92.2	Very high	30 Å²	30	51.1 Å²	51.1	21%	0.21	26%	0.256	C	S	.	.	S	Bend	trans	-88	-32.8	172.1	-62.3	0	0	0	0	111.1	L209 D210	L209-S227 PolarHBondContact O-OG 2.78Å; D210-S227 PolarHBondContact OD1-N 3.31Å
228	N	91.5	Very high	91.7	Very high	96 Å²	96	53.7 Å²	53.7	51%	0.513	27%	0.271	S	S	.	.	S	Bend	trans	-118.1	98	179.7	-64.3	-64.6	0	0	0	110.9	D210 R230	D210-N228 PolarHBondContact OD1-N 2.78Å; N228-R230 PolarHBondContact O-N 2.83Å; N228-R230 PolarHBondContact O-NH1 2.76Å
229	P	91.8	Very high	91.5	Very high	51 Å²	51	55.2 Å²	55.2	33%	0.331	29%	0.287	S	S	.	.			trans	-54.6	134.9	179.2	-28.3	36.6	0	0	0	113.2	T238 A240	P229-T238 WeakPolarHBondContact CB-O 2.93Å; P229-A240 HydrophobicContact CG-CB 4.19Å
230	R	93.7	Very high	91.5	Very high	53 Å²	53	54.6 Å²	54.6	20%	0.2	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-161.1	152.5	-176.5	59.8	-165.8	179.5	-96.3	5.6	111.9	D210 N228 Q232 C233 R235	D210-R230 VanDerWaalsContact CG-NH1 3.27Å; D210-R230 IonicContact OD1-NH1 3.78Å; D210-R230 PolarHBondContact OD1-NH1 2.65Å; D210-R230 IonicContact OD2-CZ 3.74Å; D210-R230 IonicContact OD2-NH1 2.6Å; D210-R230 PolarHBondContact OD2-NH1 2.88Å; D210-R230 IonicContact OD2-NH2 3Å; D210-R230 PolarHBondContact OD2-NH2 3.46Å; N228-R230 PolarHBondContact O-N 2.83Å; N228-R230 PolarHBondContact O-NH1 2.76Å; R230-Q232 HydrophobicContact CG-CG 4.19Å; R230-Q232 PolarHBondContact O-N 2.67Å; R230-C233 HydrophobicContact CG-CB 3.8Å; R230-C233 VanDerWaalsContact CG-SG 3.58Å; R230-C233 PolarHBondContact NE-SG 3.26Å; R230-C233 CarbonylContact O-C 3.51Å; R230-C233 VanDerWaalsContact O-C 3.27Å; R230-C233 PolarHBondContact O-N 3.25Å; R230-R235 PolarHBondContact O-N 2.78Å
231	D	89.4	Confident	91.5	Very high	87 Å²	87	55.2 Å²	55.2	47%	0.465	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-44.4	-168.1	-64.6	-42.7	0	0	0	113.4	C233 R235 K236	D231-C233 PolarHBondContact O-N 3.04Å; D231-C233 VanDerWaalsContact O-N 3.15Å; D231-R235 PolarHBondContact O-N 2.81Å; D231-K236 VanDerWaalsContact OD1-CG 3.32Å; D231-K236 WeakPolarHBondContact OD1-CG 3.41Å; D231-K236 PolarHBondContact OD1-N 2.87Å; D231-K236 VanDerWaalsContact OD2-CD 3.32Å; D231-K236 WeakPolarHBondContact OD2-CD 3.35Å; D231-K236 WeakPolarHBondContact OD2-CE 3.29Å; D231-K236 IonicContact OD2-NZ 2.69Å; D231-K236 PolarHBondContact OD2-NZ 2.8Å
232	Q	89.5	Confident	91.5	Very high	143 Å²	143	56.5 Å²	56.5	67%	0.668	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.9	178.9	65.6	-87.6	36.6	0	0	114	C212 R230	C212-Q232 PolarHBondContact SG-O 2.92Å; R230-Q232 HydrophobicContact CG-CG 4.19Å; R230-Q232 PolarHBondContact O-N 2.67Å
233	C	89	Confident	91.3	Very high	4 Å²	4	57.8 Å²	57.8	3%	0.027	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-122.7	65.7	178.5	-50	0	0	0	0	107.4	C212 I226 R230 D231 R243	C212-C233 HydrophobicContact CB-CB 4.04Å; C212-C233 WeakPolarHBondContact CB-SG 3.24Å; C212-C233 WeakPolarHBondContact SG-CA 3.3Å; C212-C233 WeakPolarHBondContact SG-CB 3.42Å; C212-C233 CovalentContact SG-SG 2Å; C212-C233 PolarHBondContact SG-SG 2.73Å; I226-C233 HydrophobicContact CD1-CB 3.62Å; I226-C233 HydrophobicContact CG1-CB 4.36Å; R230-C233 HydrophobicContact CG-CB 3.8Å; R230-C233 VanDerWaalsContact CG-SG 3.58Å; R230-C233 PolarHBondContact NE-SG 3.26Å; R230-C233 CarbonylContact O-C 3.51Å; R230-C233 VanDerWaalsContact O-C 3.27Å; R230-C233 PolarHBondContact O-N 3.25Å; D231-C233 PolarHBondContact O-N 3.04Å; D231-C233 VanDerWaalsContact O-N 3.15Å; C233-R243 PolarHBondContact O-NH1 2.91Å; C233-R243 PolarHBondContact O-NH2 3.13Å
234	G	78.9	Confident	91.1	Very high	33 Å²	33	62.2 Å²	62.2	34%	0.34	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	59.6	179.4	0	0	0	0	0	115.1	T238 R243	G234-T238 WeakPolarHBondContact O-CB 3.3Å; G234-T238 PolarHBondContact O-OG1 2.88Å; G234-R243 PolarHBondContact O-NH1 2.81Å; G234-R243 VanDerWaalsContact O-NH1 3.07Å; G234-R243 PolarHBondContact O-NH2 3.01Å
235	R	82.8	Confident	91	Very high	172 Å²	172	67 Å²	67	65%	0.649	35%	0.352	S	S	*	.			trans	65.5	146.9	168.3	-52.2	-176.8	-178.5	173.9	1.5	115.6	R230 D231 D237	R230-R235 PolarHBondContact O-N 2.78Å; D231-R235 PolarHBondContact O-N 2.81Å; R235-D237 WeakPolarHBondContact CB-OD1 3.21Å
236	K	83.3	Confident	90.9	Very high	134 Å²	134	68.1 Å²	68.1	58%	0.583	36%	0.363	S	S	*	.	S	Bend	trans	-71.3	-26.5	178.5	-82.4	171.1	-179.9	147.1	0	114.7	D231 T238	D231-K236 VanDerWaalsContact OD1-CG 3.32Å; D231-K236 WeakPolarHBondContact OD1-CG 3.41Å; D231-K236 PolarHBondContact OD1-N 2.87Å; D231-K236 VanDerWaalsContact OD2-CD 3.32Å; D231-K236 WeakPolarHBondContact OD2-CD 3.35Å; D231-K236 WeakPolarHBondContact OD2-CE 3.29Å; D231-K236 IonicContact OD2-NZ 2.69Å; D231-K236 PolarHBondContact OD2-NZ 2.8Å; K236-T238 VanDerWaalsContact C-N 3.33Å
237	D	87.5	Confident	90.9	Very high	119 Å²	119	76.5 Å²	76.5	64%	0.636	40%	0.396	S	S	*	.	S	Bend	trans	-76.6	-21	-178.9	61.5	-20.2	0	0	0	112.9	R235 P239	R235-D237 WeakPolarHBondContact CB-OD1 3.21Å; D237-P239 WeakPolarHBondContact O-CD 3.32Å
238	T	88	Confident	91.1	Very high	53 Å²	53	79.8 Å²	79.8	33%	0.325	40%	0.404	S	S	.	.	S	Bend	trans	-74.7	124.6	177.5	-59	0	0	0	0	109.9	P229 G234 K236	P229-T238 WeakPolarHBondContact CB-O 2.93Å; G234-T238 WeakPolarHBondContact O-CB 3.3Å; G234-T238 PolarHBondContact O-OG1 2.88Å; K236-T238 VanDerWaalsContact C-N 3.33Å
239	P	90.9	Very high	91.3	Very high	103 Å²	103	79.8 Å²	79.8	67%	0.669	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-56.1	157.5	-179.4	-26.2	34.6	0	0	0	113.8	D237	D237-P239 WeakPolarHBondContact O-CD 3.32Å
240	A	93.8	Very high	91.5	Very high	45 Å²	45	80.8 Å²	80.8	37%	0.372	40%	0.4	S	S	.	.	S	Bend	trans	-60.5	145.1	169.3	0	0	0	0	0	110.2	W205 I226 P229	W205-A240 HydrophobicContact CZ2-CB 4.17Å; I226-A240 CarbonylContact O-C 3.55Å; I226-A240 WeakPolarHBondContact O-CA 3.34Å; I226-A240 WeakPolarHBondContact O-CB 3.48Å; P229-A240 HydrophobicContact CG-CB 4.19Å
241	G	94.9	Very high	91.7	Very high	14 Å²	14	82.6 Å²	82.6	14%	0.144	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.6	175	-177.6	0	0	0	0	0	113.3	W205 I226	W205-G241 VanDerWaalsContact CZ2-CA 3.49Å; I226-G241 PolarHBondContact N-O 3.3Å; I226-G241 PolarHBondContact O-N 3.21Å
242	V	96.4	Very high	92	Very high	28 Å²	28	84.1 Å²	84.1	17%	0.17	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	113.4	167.6	-174.8	0	0	0	0	108.4	L201 H202 W205 Q223 P225	L201-V242 HydrophobicContact CD2-CG1 3.73Å; L201-V242 HydrophobicContact CG-CG1 4.33Å; H202-V242 HydrophobicContact CB-CG2 4.34Å; W205-V242 HydrophobicContact CB-CG2 3.9Å; W205-V242 HydrophobicContact CD2-CG2 4.32Å; W205-V242 HydrophobicContact CE3-CG2 4.46Å; W205-V242 HydrophobicContact CG-CG2 4.06Å; Q223-V242 HydrophobicContact CB-CG1 3.97Å; Q223-V242 VanDerWaalsContact OE1-CG1 3.25Å; P225-V242 HydrophobicContact CB-CG2 4.34Å
243	R	94.6	Very high	92.4	Very high	28 Å²	28	79.2 Å²	79.2	11%	0.106	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	138.8	-177.2	-63.9	174.9	177.6	-166.4	1.6	109.7	Q223 Y224 C233 G234	Q223-R243 CarbonylContact C-O 3.27Å; Q223-R243 WeakPolarHBondContact CA-O 3.43Å; Q223-R243 VanDerWaalsContact CB-O 3.31Å; Q223-R243 WeakPolarHBondContact CB-O 3.5Å; Y224-R243 HydrophobicContact CD1-CB 3.99Å; Y224-R243 HydrophobicContact CE1-CB 3.59Å; Y224-R243 HydrophobicContact CE2-CB 4.25Å; Y224-R243 HydrophobicContact CE2-CG 4.45Å; Y224-R243 HydrophobicContact CG-CB 4.45Å; Y224-R243 PolarHBondContact N-O 3.02Å; Y224-R243 PolarHBondContact O-N 3.37Å; Y224-R243 WeakPolarHBondContact OH-CD 3.38Å; Y224-R243 PolarHBondContact OH-NH1 2.81Å; C233-R243 PolarHBondContact O-NH1 2.91Å; C233-R243 PolarHBondContact O-NH2 3.13Å; G234-R243 PolarHBondContact O-NH1 2.81Å; G234-R243 VanDerWaalsContact O-NH1 3.07Å; G234-R243 PolarHBondContact O-NH2 3.01Å
244	N	93.9	Very high	92.8	Very high	96 Å²	96	83.6 Å²	83.6	51%	0.513	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.4	-166.4	-166.9	-9.1	0	0	0	110.9	Q223 G246	Q223-N244 HydrophobicContact CG-CB 4.31Å; N244-G246 VanDerWaalsContact OD1-CA 3.3Å; N244-G246 WeakPolarHBondContact OD1-CA 3.11Å; N244-G246 PolarHBondContact OD1-N 2.65Å
245	Y	94.3	Very high	93.7	Very high	118 Å²	118	83.6 Å²	83.6	46%	0.463	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-2.1	171.3	-72.2	1.3	0	0	0	112.6	A214 V222 Y224 R248 Y255	A214-Y245 HydrophobicContact CB-CD2 4.07Å; A214-Y245 HydrophobicContact CB-CE2 3.78Å; V222-Y245 HydrophobicContact CG1-CD2 4.08Å; V222-Y245 WeakPolarHBondContact O-CB 3.46Å; V222-Y245 PolarHBondContact O-N 2.85Å; Y224-Y245 HydrophobicContact CE1-CD1 4.42Å; Y224-Y245 AromaticContact CE1-CE1 3.73Å; Y224-Y245 HydrophobicContact CE1-CE1 3.73Å; Y245-R248 WeakPolarHBondContact O-CD 3.26Å; Y245-Y255 HydrophobicContact CD2-CE1 4.05Å; Y245-Y255 HydrophobicContact CE2-CE1 4.26Å
246	G	95.1	Very high	94.5	Very high	24 Å²	24	75.5 Å²	75.5	25%	0.247	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.8	-170.8	-177.9	0	0	0	0	0	112.7	S221 V222 N244	S221-G246 WeakPolarHBondContact CA-O 3.32Å; V222-G246 PolarHBondContact N-O 3Å; N244-G246 VanDerWaalsContact OD1-CA 3.3Å; N244-G246 WeakPolarHBondContact OD1-CA 3.11Å; N244-G246 PolarHBondContact OD1-N 2.65Å
247	Y	96.1	Very high	95.2	Very high	176 Å²	176	69.1 Å²	69.1	69%	0.69	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.1	168.1	-60.9	-80.3	0	0	0	109.6	D219	D219-Y247 HydrophobicContact CB-CE1 4.22Å; D219-Y247 WeakPolarHBondContact O-CE1 3.25Å
248	R	97	Very high	95.8	Very high	98 Å²	98	63.5 Å²	63.5	37%	0.37	31%	0.314	S	S	.	.			trans	-117.9	161.1	-176.9	-57.5	-52.5	-62.5	160.5	4.2	110.6	W216 G220 V222 Y245 K250 E253 Y255	W216-R248 HydrophobicContact CH2-CB 3.59Å; W216-R248 HydrophobicContact CZ3-CB 3.71Å; G220-R248 PolarHBondContact O-N 3.3Å; V222-R248 HydrophobicContact CB-CG 3.76Å; V222-R248 HydrophobicContact CG2-CB 3.99Å; V222-R248 HydrophobicContact CG2-CG 3.5Å; Y245-R248 WeakPolarHBondContact O-CD 3.26Å; R248-K250 PolarHBondContact O-N 3.04Å; R248-E253 WeakPolarHBondContact CB-OE1 3.4Å; R248-E253 IonicContact CZ-OE1 2.93Å; R248-E253 IonicContact CZ-OE2 2.71Å; R248-E253 VanDerWaalsContact NE-CD 3.26Å; R248-E253 IonicContact NE-OE1 2.82Å; R248-E253 PolarHBondContact NE-OE1 3.27Å; R248-E253 IonicContact NE-OE2 3.14Å; R248-E253 PolarHBondContact NE-OE2 2.86Å; R248-E253 IonicContact NH2-OE1 2.73Å; R248-E253 PolarHBondContact NH2-OE1 2.8Å; R248-E253 IonicContact NH2-OE2 3.02Å; R248-E253 PolarHBondContact NH2-OE2 2.81Å; R248-Y255 HydrophobicContact CB-CE2 4.21Å; R248-Y255 HydrophobicContact CG-CE2 3.98Å
249	H	96.5	Very high	96.3	Very high	97 Å²	97	61 Å²	61	45%	0.449	30%	0.298	S	S	.	.			trans	-69.3	117.2	179.7	-157.6	-100.9	0	0	0	110.1	E251 D252 E253	H249-E251 IonicContact CE1-OE2 3.13Å; H249-E251 PolarHBondContact CE1-OE2 2.96Å; H249-E251 IonicContact ND1-OE2 2.75Å; H249-E251 PolarHBondContact ND1-OE2 3.02Å; H249-E251 IonicContact NE2-OE2 3.5Å; H249-E251 PolarHBondContact O-N 3.14Å; H249-D252 HydrophobicContact CB-CB 4.47Å; H249-D252 IonicContact CE1-OD2 3.33Å; H249-D252 PolarHBondContact CE1-OD2 3.06Å; H249-D252 IonicContact CG-OD2 3.92Å; H249-D252 IonicContact ND1-OD2 3.13Å; H249-D252 PolarHBondContact ND1-OD2 3Å; H249-E253 HydrophobicContact CB-CG 4.17Å; H249-E253 PolarHBondContact N-OE1 3.43Å; H249-E253 WeakPolarHBondContact O-CB 3.42Å; H249-E253 PolarHBondContact O-N 2.94Å
250	K	96.7	Very high	96.6	Very high	72 Å²	72	56.3 Å²	56.3	31%	0.313	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-27	-166	-73.9	-176	177	-175.5	0	112.8	N180 Y181 R248	N180-K250 WeakPolarHBondContact CB-O 3.45Å; Y181-K250 HydrophobicContact CD1-CB 4.34Å; Y181-K250 HydrophobicContact CD1-CD 3.72Å; Y181-K250 HydrophobicContact CD1-CG 4.06Å; Y181-K250 HydrophobicContact CD2-CD 4.5Å; Y181-K250 HydrophobicContact CD2-CG 4.39Å; Y181-K250 HydrophobicContact CE1-CD 4.06Å; Y181-K250 HydrophobicContact CG-CB 4.19Å; Y181-K250 HydrophobicContact CG-CD 3.95Å; Y181-K250 HydrophobicContact CG-CG 3.82Å; Y181-K250 PolarHBondContact N-O 3.18Å; R248-K250 PolarHBondContact O-N 3.04Å
251	E	96.6	Very high	96.8	Very high	90 Å²	90	54.2 Å²	54.2	42%	0.421	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-36.9	-173.6	-61.5	71.5	-157.5	0	0	113.2	H182 H249 R254	H182-E251 IonicContact NE2-OE1 3.26Å; H249-E251 IonicContact CE1-OE2 3.13Å; H249-E251 PolarHBondContact CE1-OE2 2.96Å; H249-E251 IonicContact ND1-OE2 2.75Å; H249-E251 PolarHBondContact ND1-OE2 3.02Å; H249-E251 IonicContact NE2-OE2 3.5Å; H249-E251 PolarHBondContact O-N 3.14Å; E251-R254 PolarHBondContact O-NH1 3.29Å; E251-R254 PolarHBondContact O-NH2 3.13Å
252	D	95.8	Very high	96.9	Very high	120 Å²	120	53.5 Å²	53.5	64%	0.642	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-29.9	-168.8	-66	-36.5	0	0	0	113.2	H249 R254	H249-D252 HydrophobicContact CB-CB 4.47Å; H249-D252 IonicContact CE1-OD2 3.33Å; H249-D252 PolarHBondContact CE1-OD2 3.06Å; H249-D252 IonicContact CG-OD2 3.92Å; H249-D252 IonicContact ND1-OD2 3.13Å; H249-D252 PolarHBondContact ND1-OD2 3Å; D252-R254 VanDerWaalsContact C-NH1 3.25Å; D252-R254 PolarHBondContact O-NH1 3.22Å; D252-R254 VanDerWaalsContact O-NH1 3.13Å
253	E	97.9	Very high	96.8	Very high	39 Å²	39	56.9 Å²	56.9	18%	0.182	26%	0.255	C	S	.	.			trans	-89.5	156.9	-176.7	-59.9	-168.3	-121.5	0	0	111.6	N180 W216 R248 H249 Y255	N180-E253 WeakPolarHBondContact CA-O 3.43Å; W216-E253 HydrophobicContact CH2-CB 4.36Å; W216-E253 HydrophobicContact CZ2-CB 4.21Å; R248-E253 WeakPolarHBondContact CB-OE1 3.4Å; R248-E253 IonicContact CZ-OE1 2.93Å; R248-E253 IonicContact CZ-OE2 2.71Å; R248-E253 VanDerWaalsContact NE-CD 3.26Å; R248-E253 IonicContact NE-OE1 2.82Å; R248-E253 PolarHBondContact NE-OE1 3.27Å; R248-E253 IonicContact NE-OE2 3.14Å; R248-E253 PolarHBondContact NE-OE2 2.86Å; R248-E253 IonicContact NH2-OE1 2.73Å; R248-E253 PolarHBondContact NH2-OE1 2.8Å; R248-E253 IonicContact NH2-OE2 3.02Å; R248-E253 PolarHBondContact NH2-OE2 2.81Å; H249-E253 HydrophobicContact CB-CG 4.17Å; H249-E253 PolarHBondContact N-OE1 3.43Å; H249-E253 WeakPolarHBondContact O-CB 3.42Å; H249-E253 PolarHBondContact O-N 2.94Å; E253-Y255 HydrophobicContact CB-CD2 4.37Å; E253-Y255 HydrophobicContact CB-CE2 3.77Å; E253-Y255 PolarHBondContact OE2-OH 2.94Å
254	R	98.3	Very high	96.8	Very high	97 Å²	97	56.2 Å²	56.2	37%	0.366	25%	0.254	S	S	.	.			trans	-135.3	128	-175.4	-62.3	-64.7	-174.6	-74.5	2.4	110.6	Y177 L179 E183 E251 D252	Y177-R254 WeakPolarHBondContact O-CB 3.39Å; L179-R254 VanDerWaalsContact C-CD 3.44Å; L179-R254 CarbonylContact O-C 3.32Å; L179-R254 VanDerWaalsContact O-CA 3.29Å; L179-R254 WeakPolarHBondContact O-CA 3.46Å; E183-R254 IonicContact OE2-NE 3.41Å; E251-R254 PolarHBondContact O-NH1 3.29Å; E251-R254 PolarHBondContact O-NH2 3.13Å; D252-R254 VanDerWaalsContact C-NH1 3.25Å; D252-R254 PolarHBondContact O-NH1 3.22Å; D252-R254 VanDerWaalsContact O-NH1 3.13Å
255	Y	98.4	Very high	96.7	Very high	32 Å²	32	55.6 Å²	55.6	13%	0.125	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-141.4	-175.5	179.9	-64.5	-76.7	0	0	0	111.1	Y177 K178 L179 A214 W216 V222 Y245 R248 E253	Y177-Y255 HydrophobicContact CD1-CD1 4.4Å; K178-Y255 PolarHBondContact N-O 3.41Å; L179-Y255 PolarHBondContact N-O 3.19Å; L179-Y255 VanDerWaalsContact N-O 3.12Å; L179-Y255 PolarHBondContact O-N 3.4Å; A214-Y255 HydrophobicContact CB-CD1 3.81Å; A214-Y255 HydrophobicContact CB-CE1 4.17Å; W216-Y255 HydrophobicContact CD2-CD2 4.36Å; W216-Y255 AromaticContact CE2-CD2 3.7Å; W216-Y255 HydrophobicContact CH2-CD2 4.27Å; W216-Y255 HydrophobicContact CH2-CE2 4.5Å; W216-Y255 AromaticContact CZ2-CD2 3.66Å; W216-Y255 HydrophobicContact CZ2-CD2 3.66Å; W216-Y255 HydrophobicContact CZ2-CE2 4.23Å; W216-Y255 AromaticContact NE1-CD2 3.95Å; V222-Y255 HydrophobicContact CB-CD2 4.34Å; V222-Y255 HydrophobicContact CB-CE2 4.34Å; V222-Y255 HydrophobicContact CG1-CD1 3.7Å; V222-Y255 HydrophobicContact CG1-CD2 3.95Å; V222-Y255 HydrophobicContact CG1-CE1 3.87Å; V222-Y255 HydrophobicContact CG1-CE2 4.09Å; V222-Y255 HydrophobicContact CG1-CG 3.73Å; V222-Y255 HydrophobicContact CG2-CD2 3.56Å; V222-Y255 HydrophobicContact CG2-CE2 3.76Å; V222-Y255 HydrophobicContact CG2-CG 4.1Å; Y245-Y255 HydrophobicContact CD2-CE1 4.05Å; Y245-Y255 HydrophobicContact CE2-CE1 4.26Å; R248-Y255 HydrophobicContact CB-CE2 4.21Å; R248-Y255 HydrophobicContact CG-CE2 3.98Å; E253-Y255 HydrophobicContact CB-CD2 4.37Å; E253-Y255 HydrophobicContact CB-CE2 3.77Å; E253-Y255 PolarHBondContact OE2-OH 2.94Å
256	D	98.2	Very high	96.8	Very high	2 Å²	2	50 Å²	50	1%	0.011	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-169.9	164.7	-70	-8.1	0	0	0	109	Y170 Y171 R176 Y177 N213 A214 G215 W216	Y170-D256 WeakPolarHBondContact O-CB 3.5Å; Y171-D256 WeakPolarHBondContact CB-OD1 3.39Å; R176-D256 VanDerWaalsContact CA-OD1 3.27Å; R176-D256 WeakPolarHBondContact CA-OD1 3.33Å; Y177-D256 PolarHBondContact N-OD1 2.92Å; N213-D256 WeakPolarHBondContact CB-OD2 3.27Å; N213-D256 PolarHBondContact ND2-OD2 2Å; A214-D256 PolarHBondContact O-N 2.85Å; A214-D256 VanDerWaalsContact O-N 3.15Å; G215-D256 CarbonylContact C-O 3.4Å; G215-D256 WeakPolarHBondContact CA-O 3.48Å; W216-D256 VanDerWaalsContact CD1-O 3.29Å; W216-D256 PolarHBondContact N-O 3.28Å
257	A	98.6	Very high	96.9	Very high	1 Å²	1	54 Å²	54	1%	0.008	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.3	173.9	0	0	0	0	0	111	P169 Y170 L179 A184 L195	P169-A257 WeakPolarHBondContact CA-O 3.28Å; Y170-A257 PolarHBondContact N-O 2.95Å; Y170-A257 PolarHBondContact O-N 2.84Å; L179-A257 HydrophobicContact CD1-CB 4.37Å; A184-A257 HydrophobicContact CB-CB 3.88Å; L195-A257 HydrophobicContact CD2-CB 4.16Å
258	F	98.8	Very high	97	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.8	160	-73	-78.6	0	0	0	108.2	V167 P169 A196 L201 L209 W211 W216 L217 Q223 P225	V167-F258 HydrophobicContact CG1-CB 4.1Å; V167-F258 HydrophobicContact CG1-CD1 4.07Å; P169-F258 HydrophobicContact CB-CD1 4.26Å; P169-F258 HydrophobicContact CB-CE1 3.96Å; A196-F258 HydrophobicContact CB-CB 4.2Å; A196-F258 WeakPolarHBondContact CB-O 3.43Å; A196-F258 PolarHBondContact N-O 2.89Å; L201-F258 HydrophobicContact CD1-CB 4.38Å; L201-F258 HydrophobicContact CD1-CD1 3.64Å; L201-F258 HydrophobicContact CD1-CD2 4.25Å; L201-F258 HydrophobicContact CD1-CE1 3.92Å; L201-F258 HydrophobicContact CD1-CG 3.82Å; L201-F258 HydrophobicContact CD1-CZ 4.35Å; L201-F258 HydrophobicContact CD2-CD2 4.27Å; L201-F258 HydrophobicContact CD2-CE2 4.48Å; L209-F258 HydrophobicContact CD2-CE1 4.38Å; W211-F258 HydrophobicContact CB-CE1 4.15Å; W211-F258 HydrophobicContact CB-CZ 4.14Å; W211-F258 AromaticContact CD1-CZ 3.7Å; W211-F258 HydrophobicContact CG-CE1 4.24Å; W211-F258 HydrophobicContact CG-CZ 4.21Å; W216-F258 PolarHBondContact O-N 3.05Å; W216-F258 VanDerWaalsContact O-N 3.16Å; L217-F258 HydrophobicContact CD2-CB 3.89Å; L217-F258 HydrophobicContact CD2-CD2 4.37Å; L217-F258 HydrophobicContact CD2-CG 4.49Å; Q223-F258 WeakPolarHBondContact O-CE2 3.29Å; P225-F258 VanDerWaalsContact CD-CZ 3.42Å; P225-F258 HydrophobicContact CG-CE1 4.26Å; P225-F258 HydrophobicContact CG-CZ 4.27Å
259	C	98.7	Very high	97.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	146.6	179.8	-56.3	0	0	0	0	110.4	V167 F168 C188 A193 I194	V167-C259 CarbonylContact C-O 3.48Å; V167-C259 VanDerWaalsContact CA-O 3.29Å; V167-C259 WeakPolarHBondContact CA-O 3.23Å; F168-C259 HydrophobicContact CD1-CB 4.21Å; F168-C259 WeakPolarHBondContact CD1-O 3.38Å; F168-C259 HydrophobicContact CD2-CB 4.12Å; F168-C259 HydrophobicContact CE1-CB 3.68Å; F168-C259 HydrophobicContact CE2-CB 3.6Å; F168-C259 HydrophobicContact CG-CB 4.41Å; F168-C259 HydrophobicContact CZ-CB 3.36Å; F168-C259 PolarHBondContact N-O 3.36Å; F168-C259 PolarHBondContact O-N 3.15Å; C188-C259 WeakPolarHBondContact CA-SG 3.46Å; C188-C259 HydrophobicContact CB-CB 3.78Å; C188-C259 WeakPolarHBondContact CB-SG 3.39Å; C188-C259 WeakPolarHBondContact SG-CA 3.41Å; C188-C259 WeakPolarHBondContact SG-CB 3.44Å; C188-C259 CovalentContact SG-SG 2.04Å; C188-C259 PolarHBondContact SG-SG 2.97Å; A193-C259 HydrophobicContact CB-CB 3.8Å; I194-C259 CarbonylContact O-C 3.46Å; I194-C259 VanDerWaalsContact O-CA 3.24Å; I194-C259 WeakPolarHBondContact O-CA 3.15Å
260	F	98.5	Very high	97.2	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.022	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.8	175.3	171.9	-92.4	0	0	0	110.3	L138 L163 G165 V167 A193 I194 A196 Q200	L138-F260 HydrophobicContact CD2-CE1 4.31Å; L163-F260 HydrophobicContact CB-CE1 3.92Å; L163-F260 HydrophobicContact CB-CZ 3.85Å; L163-F260 HydrophobicContact CD1-CE1 4.4Å; L163-F260 WeakPolarHBondContact O-CZ 3.39Å; G165-F260 VanDerWaalsContact CA-CE2 3.46Å; V167-F260 HydrophobicContact CG2-CD2 4.08Å; A193-F260 CarbonylContact C-O 3.57Å; A193-F260 WeakPolarHBondContact CA-O 3.07Å; A193-F260 VanDerWaalsContact CB-O 3.22Å; A193-F260 WeakPolarHBondContact CB-O 3.49Å; I194-F260 HydrophobicContact CD1-CD1 4.23Å; I194-F260 HydrophobicContact CG1-CB 4.37Å; I194-F260 HydrophobicContact CG1-CD1 4.03Å; I194-F260 PolarHBondContact N-O 3.11Å; I194-F260 PolarHBondContact O-N 2.81Å; A196-F260 HydrophobicContact CB-CB 3.94Å; Q200-F260 HydrophobicContact CB-CD2 4.26Å; Q200-F260 VanDerWaalsContact CD-CD2 3.47Å; Q200-F260 HydrophobicContact CG-CD2 4.02Å; Q200-F260 HydrophobicContact CG-CE2 4.12Å; Q200-F260 VanDerWaalsContact OE1-CG 3.28Å
261	T	97.9	Very high	97.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	161.6	174.2	-169.4	0	0	0	0	110.5	G165 V166 F168 D192 G297 A301	G165-T261 CarbonylContact C-O 3.53Å; G165-T261 WeakPolarHBondContact CA-O 3.42Å; V166-T261 HydrophobicContact CG1-CG2 3.62Å; V166-T261 PolarHBondContact N-O 3.3Å; V166-T261 PolarHBondContact O-N 3.45Å; V166-T261 VanDerWaalsContact O-N 3.11Å; F168-T261 HydrophobicContact CD1-CG2 4.22Å; F168-T261 HydrophobicContact CE1-CG2 3.84Å; D192-T261 WeakPolarHBondContact O-CB 3.22Å; D192-T261 PolarHBondContact O-OG1 2.78Å; T261-G297 WeakPolarHBondContact CG2-O 3.49Å; T261-A301 HydrophobicContact CG2-CB 4.11Å
262	S	96.7	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-172.3	-175.9	-172.7	0	0	0	0	110.7	R63 E164 A301	R63-S262 PolarHBondContact N-OG 2.49Å; E164-S262 VanDerWaalsContact O-CB 3.29Å; E164-S262 WeakPolarHBondContact O-CB 3.06Å; E164-S262 PolarHBondContact O-OG 3.27Å; S262-A301 VanDerWaalsContact O-CB 3.27Å; S262-A301 WeakPolarHBondContact O-CB 3.31Å
263	K	94.3	Very high	96.9	Very high	98 Å²	98	41.3 Å²	41.3	43%	0.426	18%	0.179	S	C	.	.			trans	-54.4	142.2	176.6	-168.3	177.2	178	-175.1	0	111.1	H62	H62-K263 HydrophobicContact CB-CB 4.42Å
264	L	94.3	Very high	96.5	Very high	15 Å²	15	50 Å²	50	8%	0.079	22%	0.217	C	C	.	.			trans	-88.5	142.2	-177.5	-57.3	178	0	0	0	112	G266 V268 Q298 A301 A302 F357	L264-G266 PolarHBondContact O-N 2.81Å; L264-G266 VanDerWaalsContact O-N 3.13Å; L264-V268 HydrophobicContact CD1-CG2 3.84Å; L264-Q298 HydrophobicContact CD1-CB 4.11Å; L264-Q298 HydrophobicContact CD1-CG 4.49Å; L264-Q298 WeakPolarHBondContact CD1-O 2.93Å; L264-Q298 HydrophobicContact CD2-CB 4.3Å; L264-Q298 HydrophobicContact CD2-CG 3.99Å; L264-A301 HydrophobicContact CD1-CB 4.02Å; L264-A301 HydrophobicContact CD2-CB 3.67Å; L264-A301 HydrophobicContact CG-CB 3.59Å; L264-A302 HydrophobicContact CD1-CB 4.41Å; L264-F357 HydrophobicContact CB-CE2 4.21Å; L264-F357 HydrophobicContact CD1-CD2 4.29Å; L264-F357 HydrophobicContact CD1-CE2 3.94Å
265	N	92.9	Very high	96.2	Very high	83 Å²	83	53.6 Å²	53.6	44%	0.444	24%	0.235	S	C	.	.	S	Bend	trans	-82.6	62.4	159.6	-174.7	31.1	0	0	0	110.7	E359 Y360	N265-E359 WeakPolarHBondContact O-CA 3.1Å; N265-E359 WeakPolarHBondContact O-CG 3.29Å; N265-Y360 PolarHBondContact ND2-O 3.03Å; N265-Y360 VanDerWaalsContact ND2-O 3.16Å; N265-Y360 PolarHBondContact O-N 3.05Å; N265-Y360 VanDerWaalsContact O-N 3.09Å
266	G	95.4	Very high	96.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.9	-167.4	-175.5	0	0	0	0	0	112.3	L264 Q306 R358 Y360	L264-G266 PolarHBondContact O-N 2.81Å; L264-G266 VanDerWaalsContact O-N 3.13Å; G266-Q306 PolarHBondContact O-NE2 3.15Å; G266-R358 CarbonylContact C-O 3.44Å; G266-R358 WeakPolarHBondContact CA-O 3.43Å; G266-Y360 VanDerWaalsContact CA-CD2 3.43Å
267	K	97.3	Very high	96.1	Very high	108 Å²	108	57.7 Å²	57.7	47%	0.47	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.2	-179.9	-173.2	172.7	-177	174.7	0	112	F357 R358	K267-F357 WeakPolarHBondContact O-CA 3.37Å; K267-R358 PolarHBondContact N-O 2.89Å; K267-R358 PolarHBondContact O-N 2.75Å
268	V	98.5	Very high	96.1	Very high	1 Å²	1	59 Å²	59	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136	165.4	-179.4	0	0	0	0	109.1	L264 A294 Q298 L299 A302 L308 Y355 C356 F357	L264-V268 HydrophobicContact CD1-CG2 3.84Å; V268-A294 HydrophobicContact CG1-CB 3.86Å; V268-A294 HydrophobicContact CG2-CB 4.21Å; V268-Q298 HydrophobicContact CG2-CB 3.84Å; V268-Q298 WeakPolarHBondContact CG2-O 3.48Å; V268-L299 HydrophobicContact CG1-CD1 4.07Å; V268-A302 HydrophobicContact CB-CB 3.55Å; V268-A302 HydrophobicContact CG1-CB 4.39Å; V268-A302 HydrophobicContact CG2-CB 3.81Å; V268-L308 HydrophobicContact CB-CD2 4.16Å; V268-L308 HydrophobicContact CG1-CD2 3.82Å; V268-Y355 HydrophobicContact CG1-CD1 4.22Å; V268-C356 WeakPolarHBondContact CA-O 3.43Å; V268-F357 HydrophobicContact CG2-CB 4.37Å; V268-F357 HydrophobicContact CG2-CD2 3.79Å
269	Y	98.4	Very high	96	Very high	40 Å²	40	61.2 Å²	61.2	16%	0.157	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.9	177.3	58.8	-79.9	0	0	0	110.9	L271 D289 S291 Y355 C356 R358	Y269-L271 HydrophobicContact CE2-CD1 4.21Å; Y269-D289 WeakPolarHBondContact CE2-OD2 3.4Å; Y269-D289 VanDerWaalsContact CZ-OD2 3.32Å; Y269-D289 PolarHBondContact OH-OD2 3.02Å; Y269-S291 WeakPolarHBondContact OH-CB 3.46Å; Y269-S291 PolarHBondContact OH-OG 2.86Å; Y269-Y355 CarbonylContact O-C 3.56Å; Y269-Y355 WeakPolarHBondContact O-CA 3.3Å; Y269-C356 HydrophobicContact CE1-CB 4.16Å; Y269-C356 HydrophobicContact CE2-CB 4.09Å; Y269-C356 PolarHBondContact N-O 2.89Å; Y269-C356 PolarHBondContact O-N 2.73Å; Y269-R358 HydrophobicContact CE1-CB 4.01Å; Y269-R358 PolarHBondContact OH-NH2 2.93Å; Y269-R358 VanDerWaalsContact OH-NH2 3.12Å
270	F	98.3	Very high	96	Very high	24 Å²	24	63.8 Å²	63.8	11%	0.105	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	119	172.9	-171.7	-94.1	0	0	0	109.6	K272 R310 E312 Y355	F270-K272 PolarHBondContact O-N 2.84Å; F270-R310 HydrophobicContact CB-CG 4.24Å; F270-R310 HydrophobicContact CD2-CG 4.3Å; F270-R310 HydrophobicContact CG-CG 4.22Å; F270-E312 VanDerWaalsContact CE1-CD 3.42Å; F270-E312 HydrophobicContact CE1-CG 4.24Å; F270-E312 WeakPolarHBondContact CE1-OE2 3.34Å; F270-E312 HydrophobicContact CE2-CB 4.03Å; F270-E312 HydrophobicContact CE2-CG 3.97Å; F270-E312 HydrophobicContact CZ-CB 3.96Å; F270-E312 HydrophobicContact CZ-CG 3.53Å; F270-E312 VanDerWaalsContact CZ-OE1 3.32Å; F270-E312 WeakPolarHBondContact CZ-OE1 3.39Å; F270-E312 WeakPolarHBondContact CZ-OE2 3.41Å; F270-Y355 HydrophobicContact CB-CD1 4.17Å; F270-Y355 HydrophobicContact CB-CE1 3.94Å; F270-Y355 HydrophobicContact CD2-CD1 4.15Å; F270-Y355 HydrophobicContact CD2-CD2 4.22Å; F270-Y355 AromaticContact CD2-CE1 3.78Å; F270-Y355 HydrophobicContact CD2-CE1 3.78Å; F270-Y355 AromaticContact CD2-CE2 3.81Å; F270-Y355 HydrophobicContact CD2-CE2 3.81Å; F270-Y355 HydrophobicContact CD2-CG 4.36Å; F270-Y355 AromaticContact CD2-CZ 3.57Å; F270-Y355 HydrophobicContact CE2-CE2 4.2Å; F270-Y355 HydrophobicContact CG-CE1 4.36Å
271	L	97.6	Very high	96	Very high	24 Å²	24	67.6 Å²	67.6	13%	0.126	31%	0.308	C	S	.	.			trans	-74.1	112.2	-178.6	-175.5	65.7	0	0	0	110.1	Y269 R273 A285 D289 V354	Y269-L271 HydrophobicContact CE2-CD1 4.21Å; L271-R273 HydrophobicContact CD2-CG 4.34Å; L271-R273 HydrophobicContact CG-CG 4.22Å; L271-R273 PolarHBondContact O-N 2.6Å; L271-A285 HydrophobicContact CD2-CB 3.53Å; L271-D289 HydrophobicContact CD1-CB 4.25Å; L271-V354 HydrophobicContact CB-CG1 3.76Å; L271-V354 HydrophobicContact CD2-CG1 4.01Å; L271-V354 HydrophobicContact CG-CG1 4.47Å; L271-V354 PolarHBondContact N-O 2.71Å
272	K	93.8	Very high	96	Very high	179 Å²	179	67.6 Å²	67.6	78%	0.778	31%	0.308	S	S	*	.			trans	-67.7	119	177.4	-66.6	-178.2	-177.6	177.1	0	109.7	F270	F270-K272 PolarHBondContact O-N 2.84Å
273	R	92.3	Very high	96.1	Very high	118 Å²	118	70 Å²	70	45%	0.445	32%	0.323	S	S	.	.			trans	-131	151.5	174.7	-65.3	-167.8	64.2	161.5	-3.6	110.3	L271 K275 V277	L271-R273 HydrophobicContact CD2-CG 4.34Å; L271-R273 HydrophobicContact CG-CG 4.22Å; L271-R273 PolarHBondContact O-N 2.6Å; R273-K275 VanDerWaalsContact C-N 3.27Å; R273-K275 WeakPolarHBondContact CB-O 3.21Å; R273-K275 PolarHBondContact O-N 2.92Å; R273-V277 VanDerWaalsContact CZ-CG1 3.43Å
274	F	89.3	Confident	96.3	Very high	223 Å²	223	71.4 Å²	71.4	98%	0.978	33%	0.329	S	S	*	.	S	Bend	trans	-65.9	-28.9	175.5	-64.9	-73.3	0	0	0	113.4
275	K	93.1	Very high	96.5	Very high	172 Å²	172	71.1 Å²	71.1	75%	0.748	33%	0.329	S	S	*	.	S	Bend	trans	-133.1	145.6	178.2	-64.6	-175.5	-179.7	-179.4	0	109.9	R273	R273-K275 VanDerWaalsContact C-N 3.27Å; R273-K275 WeakPolarHBondContact CB-O 3.21Å; R273-K275 PolarHBondContact O-N 2.92Å
276	K	96	Very high	96.7	Very high	115 Å²	115	67.1 Å²	67.1	50%	0.5	31%	0.307	S	S	.	.			trans	-62.6	154	166.1	-68.2	-178.7	179	180	0	109.7	L351 Y352	K276-L351 HydrophobicContact CB-CB 3.82Å; K276-Y352 WeakPolarHBondContact CA-O 3.19Å
277	V	97.3	Very high	96.8	Very high	4 Å²	4	71.8 Å²	71.8	2%	0.024	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-133.8	155.3	-170.6	-70.9	0	0	0	0	112.1	R273 E281 A282 W315 L351 Y352	R273-V277 VanDerWaalsContact CZ-CG1 3.43Å; V277-E281 HydrophobicContact CB-CB 3.73Å; V277-E281 WeakPolarHBondContact CB-OE2 3.28Å; V277-E281 HydrophobicContact CG1-CB 4.07Å; V277-A282 HydrophobicContact CG2-CB 3.9Å; V277-W315 PolarHBondContact O-NE1 3.17Å; V277-L351 WeakPolarHBondContact O-CA 3.48Å; V277-Y352 PolarHBondContact N-O 3.39Å; V277-Y352 PolarHBondContact O-N 3.01Å
278	N	98.1	Very high	96.8	Very high	30 Å²	30	76.8 Å²	76.8	16%	0.16	35%	0.352	C	S	.	.			trans	-74.2	173	169.1	68	41.9	0	0	0	110.4	A280 E281 A282 R350 L351	N278-A280 PolarHBondContact O-N 3.2Å; N278-A280 PolarHBondContact OD1-N 3.28Å; N278-E281 PolarHBondContact N-OE2 2.89Å; N278-E281 PolarHBondContact O-N 2.95Å; N278-E281 WeakPolarHBondContact OD1-CB 3.42Å; N278-E281 VanDerWaalsContact OD1-CG 3.32Å; N278-E281 WeakPolarHBondContact OD1-CG 3.37Å; N278-E281 PolarHBondContact OD1-N 2.86Å; N278-A282 WeakPolarHBondContact O-CB 3.1Å; N278-A282 PolarHBondContact O-N 3Å; N278-R350 WeakPolarHBondContact CA-O 2.93Å; N278-L351 HydrophobicContact CB-CD2 4.02Å
279	Y	98.4	Very high	96.7	Very high	47 Å²	47	79.7 Å²	79.7	18%	0.184	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-42.7	-174.6	177.3	-96.4	0	0	0	112.7	E281 A282 V283 W315 L316 E317 K347	Y279-E281 VanDerWaalsContact C-N 3.31Å; Y279-E281 PolarHBondContact O-N 2.91Å; Y279-A282 WeakPolarHBondContact O-CB 3.28Å; Y279-A282 PolarHBondContact O-N 2.91Å; Y279-V283 HydrophobicContact CD1-CG2 4.34Å; Y279-V283 HydrophobicContact CE1-CG2 3.93Å; Y279-V283 HydrophobicContact CE2-CG2 4.4Å; Y279-V283 WeakPolarHBondContact O-CG2 2.99Å; Y279-V283 PolarHBondContact O-N 3.4Å; Y279-W315 HydrophobicContact CD2-CB 4.4Å; Y279-W315 AromaticContact CD2-CD2 3.98Å; Y279-W315 HydrophobicContact CD2-CD2 3.98Å; Y279-W315 AromaticContact CD2-CE3 3.69Å; Y279-W315 HydrophobicContact CD2-CE3 3.69Å; Y279-W315 HydrophobicContact CD2-CG 4.32Å; Y279-W315 HydrophobicContact CD2-CZ3 4.3Å; Y279-W315 HydrophobicContact CG-CE3 4.36Å; Y279-L316 WeakPolarHBondContact CE2-O 3.41Å; Y279-E317 PolarHBondContact OH-O 3.48Å; Y279-K347 HydrophobicContact CD1-CB 4.48Å; Y279-K347 HydrophobicContact CD1-CD 3.71Å; Y279-K347 HydrophobicContact CD1-CG 4.24Å; Y279-K347 HydrophobicContact CD2-CD 4.46Å; Y279-K347 HydrophobicContact CE1-CD 4.09Å; Y279-K347 HydrophobicContact CG-CB 4.33Å; Y279-K347 HydrophobicContact CG-CD 3.9Å; Y279-K347 HydrophobicContact CG-CG 3.99Å; Y279-K347 PolarHBondContact N-O 2.99Å; Y279-K347 VanDerWaalsContact N-O 3.15Å
280	A	98.3	Very high	96.7	Very high	54 Å²	54	80.7 Å²	80.7	45%	0.446	39%	0.389	S	S	.	.	H	α-helix	trans	-64.7	-37.4	-179	0	0	0	0	0	112.2	N278 K284	N278-A280 PolarHBondContact O-N 3.2Å; N278-A280 PolarHBondContact OD1-N 3.28Å; A280-K284 WeakPolarHBondContact O-CG 3.42Å; A280-K284 PolarHBondContact O-N 2.99Å
281	E	98.1	Very high	96.6	Very high	84 Å²	84	80.2 Å²	80.2	39%	0.393	39%	0.389	S	S	.	.	H	α-helix	trans	-71.1	-35.7	173.9	-73.7	171.3	168.6	0	0	112.6	V277 N278 Y279 K284 A285	V277-E281 HydrophobicContact CB-CB 3.73Å; V277-E281 WeakPolarHBondContact CB-OE2 3.28Å; V277-E281 HydrophobicContact CG1-CB 4.07Å; N278-E281 PolarHBondContact N-OE2 2.89Å; N278-E281 PolarHBondContact O-N 2.95Å; N278-E281 WeakPolarHBondContact OD1-CB 3.42Å; N278-E281 VanDerWaalsContact OD1-CG 3.32Å; N278-E281 WeakPolarHBondContact OD1-CG 3.37Å; N278-E281 PolarHBondContact OD1-N 2.86Å; Y279-E281 VanDerWaalsContact C-N 3.31Å; Y279-E281 PolarHBondContact O-N 2.91Å; E281-K284 PolarHBondContact O-N 2.82Å; E281-A285 WeakPolarHBondContact O-CB 3.2Å; E281-A285 PolarHBondContact O-N 3.23Å
282	A	98.3	Very high	96.7	Very high	0 Å²	0	81.6 Å²	81.6	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-60.3	-47.8	174.9	0	0	0	0	0	111.3	V277 N278 Y279 K284 A285 C286 W315 V354	V277-A282 HydrophobicContact CG2-CB 3.9Å; N278-A282 WeakPolarHBondContact O-CB 3.1Å; N278-A282 PolarHBondContact O-N 3Å; Y279-A282 WeakPolarHBondContact O-CB 3.28Å; Y279-A282 PolarHBondContact O-N 2.91Å; A282-K284 PolarHBondContact O-N 3.49Å; A282-A285 VanDerWaalsContact O-CB 3.23Å; A282-A285 WeakPolarHBondContact O-CB 3.34Å; A282-A285 PolarHBondContact O-N 3.02Å; A282-A285 VanDerWaalsContact O-N 3.07Å; A282-C286 PolarHBondContact O-N 3.41Å; A282-C286 VanDerWaalsContact O-N 3.14Å; A282-W315 HydrophobicContact CB-CB 4.14Å; A282-W315 HydrophobicContact CB-CG 4.12Å; A282-V354 HydrophobicContact CB-CB 3.82Å; A282-V354 HydrophobicContact CB-CG1 4.43Å; A282-V354 HydrophobicContact CB-CG2 3.76Å
283	V	98.4	Very high	96.9	Very high	51 Å²	51	73.7 Å²	73.7	31%	0.309	37%	0.371	S	S	.	.	H	α-helix	trans	-57.9	-50.2	175.4	175.3	0	0	0	0	111	Y279 A285 C286 V287 V293	Y279-V283 HydrophobicContact CD1-CG2 4.34Å; Y279-V283 HydrophobicContact CE1-CG2 3.93Å; Y279-V283 HydrophobicContact CE2-CG2 4.4Å; Y279-V283 WeakPolarHBondContact O-CG2 2.99Å; Y279-V283 PolarHBondContact O-N 3.4Å; V283-A285 PolarHBondContact O-N 3.23Å; V283-C286 PolarHBondContact O-N 3.22Å; V283-V287 WeakPolarHBondContact O-CG2 3.27Å; V283-V287 PolarHBondContact O-N 3.33Å; V283-V287 VanDerWaalsContact O-N 3.13Å; V283-V293 HydrophobicContact CB-CG2 4.18Å; V283-V293 HydrophobicContact CG2-CG2 3.79Å
284	K	98.3	Very high	97.2	Very high	127 Å²	127	68.1 Å²	68.1	55%	0.552	35%	0.349	S	S	*	.	H	α-helix	trans	-61.4	-28.6	177.3	-70.7	174.5	-175.9	177.2	0	112.8	A280 E281 A282 R288	A280-K284 WeakPolarHBondContact O-CG 3.42Å; A280-K284 PolarHBondContact O-N 2.99Å; E281-K284 PolarHBondContact O-N 2.82Å; A282-K284 PolarHBondContact O-N 3.49Å; K284-R288 WeakPolarHBondContact O-CB 2.8Å; K284-R288 PolarHBondContact O-N 3.23Å; K284-R288 VanDerWaalsContact O-N 3.1Å
285	A	98	Very high	97.7	Very high	9 Å²	9	60 Å²	60	7%	0.074	31%	0.314	C	S	.	.	H	α-helix	trans	-69.5	-51.8	179.4	0	0	0	0	0	111.6	L271 E281 A282 V283 V287 R288 D289	L271-A285 HydrophobicContact CD2-CB 3.53Å; E281-A285 WeakPolarHBondContact O-CB 3.2Å; E281-A285 PolarHBondContact O-N 3.23Å; A282-A285 VanDerWaalsContact O-CB 3.23Å; A282-A285 WeakPolarHBondContact O-CB 3.34Å; A282-A285 PolarHBondContact O-N 3.02Å; A282-A285 VanDerWaalsContact O-N 3.07Å; V283-A285 PolarHBondContact O-N 3.23Å; A285-V287 VanDerWaalsContact C-N 3.32Å; A285-V287 PolarHBondContact O-N 3.5Å; A285-R288 PolarHBondContact O-N 3.32Å; A285-D289 PolarHBondContact O-N 3.01Å; A285-D289 VanDerWaalsContact O-N 3.1Å
286	C	98.2	Very high	97.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-44.7	177.9	-61.8	0	0	0	0	110.3	A282 V283 R288 D289 G290 S291 V293 V354 C356	A282-C286 PolarHBondContact O-N 3.41Å; A282-C286 VanDerWaalsContact O-N 3.14Å; V283-C286 PolarHBondContact O-N 3.22Å; C286-R288 VanDerWaalsContact C-N 3.31Å; C286-R288 PolarHBondContact O-N 2.75Å; C286-D289 CarbonylContact O-C 3.54Å; C286-D289 WeakPolarHBondContact O-CA 3.49Å; C286-D289 WeakPolarHBondContact O-CB 3.11Å; C286-D289 PolarHBondContact O-N 3.3Å; C286-G290 PolarHBondContact O-N 2.84Å; C286-S291 CarbonylContact C-O 2.98Å; C286-S291 WeakPolarHBondContact CA-OG 3.49Å; C286-S291 CarbonylContact O-C 3.47Å; C286-S291 PolarHBondContact O-N 2.81Å; C286-S291 PolarHBondContact O-OG 3.13Å; C286-V293 HydrophobicContact CB-CG2 4.32Å; C286-V354 VanDerWaalsContact SG-CG2 3.55Å; C286-C356 VanDerWaalsContact CA-SG 3.51Å; C286-C356 HydrophobicContact CB-CB 3.81Å; C286-C356 WeakPolarHBondContact CB-SG 3.14Å; C286-C356 WeakPolarHBondContact SG-CB 3.37Å; C286-C356 CovalentContact SG-SG 2.04Å; C286-C356 PolarHBondContact SG-SG 2.9Å
287	V	98.1	Very high	98	Very high	98 Å²	98	46.3 Å²	46.3	59%	0.594	25%	0.254	S	S	*	.	H	α-helix	trans	-59.2	-42.3	178.6	172.9	0	0	0	0	111.8	V283 A285 D289 G290 S291	V283-V287 WeakPolarHBondContact O-CG2 3.27Å; V283-V287 PolarHBondContact O-N 3.33Å; V283-V287 VanDerWaalsContact O-N 3.13Å; A285-V287 VanDerWaalsContact C-N 3.32Å; A285-V287 PolarHBondContact O-N 3.5Å; V287-D289 PolarHBondContact O-N 3.11Å; V287-G290 PolarHBondContact O-N 3.1Å; V287-G290 VanDerWaalsContact O-N 3.09Å; V287-S291 WeakPolarHBondContact CA-O 3.17Å; V287-S291 PolarHBondContact N-O 3.12Å
288	R	97.1	Very high	98.1	Very high	213 Å²	213	46.9 Å²	46.9	80%	0.804	26%	0.257	S	S	*	.	H	α-helix	trans	-64.9	-26.2	175.1	-103.3	-176.2	-96.7	178	-12.3	113.5	K284 A285 C286 G290	K284-R288 WeakPolarHBondContact O-CB 2.8Å; K284-R288 PolarHBondContact O-N 3.23Å; K284-R288 VanDerWaalsContact O-N 3.1Å; A285-R288 PolarHBondContact O-N 3.32Å; C286-R288 VanDerWaalsContact C-N 3.31Å; C286-R288 PolarHBondContact O-N 2.75Å; R288-G290 VanDerWaalsContact C-N 3.27Å
289	D	96.7	Very high	98.1	Very high	62 Å²	62	45.5 Å²	45.5	33%	0.332	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	7.9	176	-166.7	62.5	0	0	0	112.4	Y269 L271 A285 C286 V287 S291 R358	Y269-D289 WeakPolarHBondContact CE2-OD2 3.4Å; Y269-D289 VanDerWaalsContact CZ-OD2 3.32Å; Y269-D289 PolarHBondContact OH-OD2 3.02Å; L271-D289 HydrophobicContact CD1-CB 4.25Å; A285-D289 PolarHBondContact O-N 3.01Å; A285-D289 VanDerWaalsContact O-N 3.1Å; C286-D289 CarbonylContact O-C 3.54Å; C286-D289 WeakPolarHBondContact O-CA 3.49Å; C286-D289 WeakPolarHBondContact O-CB 3.11Å; C286-D289 PolarHBondContact O-N 3.3Å; V287-D289 PolarHBondContact O-N 3.11Å; D289-S291 VanDerWaalsContact C-N 3.33Å; D289-S291 PolarHBondContact O-N 2.71Å; D289-R358 PolarHBondContact O-NH2 2.97Å; D289-R358 IonicContact OD1-NH2 2.71Å; D289-R358 IonicContact OD2-NH2 3.77Å; D289-R358 PolarHBondContact OD2-NH2 2.93Å
290	G	96.6	Very high	98.1	Very high	60 Å²	60	44.1 Å²	44.1	62%	0.619	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	33.5	-178.2	0	0	0	0	0	113	C286 V287 R288	C286-G290 PolarHBondContact O-N 2.84Å; V287-G290 PolarHBondContact O-N 3.1Å; V287-G290 VanDerWaalsContact O-N 3.09Å; R288-G290 VanDerWaalsContact C-N 3.27Å
291	S	97.5	Very high	98.1	Very high	14 Å²	14	41.6 Å²	41.6	10%	0.098	22%	0.223	C	C	.	.			trans	-138.4	170.5	179.7	57.2	0	0	0	0	111.5	Y269 C286 V287 D289 C356 F357	Y269-S291 WeakPolarHBondContact OH-CB 3.46Å; Y269-S291 PolarHBondContact OH-OG 2.86Å; C286-S291 CarbonylContact C-O 2.98Å; C286-S291 WeakPolarHBondContact CA-OG 3.49Å; C286-S291 CarbonylContact O-C 3.47Å; C286-S291 PolarHBondContact O-N 2.81Å; C286-S291 PolarHBondContact O-OG 3.13Å; V287-S291 WeakPolarHBondContact CA-O 3.17Å; V287-S291 PolarHBondContact N-O 3.12Å; D289-S291 VanDerWaalsContact C-N 3.33Å; D289-S291 PolarHBondContact O-N 2.71Å; S291-C356 WeakPolarHBondContact OG-CB 3.29Å; S291-F357 VanDerWaalsContact CB-O 3.25Å; S291-F357 WeakPolarHBondContact CB-O 3.47Å
292	A	98.2	Very high	98.1	Very high	53 Å²	53	37.6 Å²	37.6	44%	0.438	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	162.7	170.9	0	0	0	0	0	110.1	A294 C356 F357	A292-A294 PolarHBondContact O-N 3Å; A292-C356 CarbonylContact O-C 3.55Å; A292-C356 WeakPolarHBondContact O-CA 3.46Å; A292-C356 WeakPolarHBondContact O-CB 3.27Å; A292-F357 PolarHBondContact N-O 3.21Å; A292-F357 PolarHBondContact O-N 2.82Å
293	V	98.6	Very high	98.1	Very high	14 Å²	14	39.6 Å²	39.6	9%	0.085	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	134	166.6	-174.4	0	0	0	0	107.8	V283 C286 L316 E317 V354	V283-V293 HydrophobicContact CB-CG2 4.18Å; V283-V293 HydrophobicContact CG2-CG2 3.79Å; C286-V293 HydrophobicContact CB-CG2 4.32Å; V293-L316 VanDerWaalsContact CG1-C 3.43Å; V293-E317 HydrophobicContact CB-CB 4.46Å; V293-E317 HydrophobicContact CG1-CB 4.47Å; V293-V354 HydrophobicContact CG1-CG2 4.01Å; V293-V354 HydrophobicContact CG2-CG2 4.25Å
294	A	98.8	Very high	98.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-66.1	141.8	-177.2	0	0	0	0	0	111.4	V268 A292 L316 E317 Y355 F357	V268-A294 HydrophobicContact CG1-CB 3.86Å; V268-A294 HydrophobicContact CG2-CB 4.21Å; A292-A294 PolarHBondContact O-N 3Å; A294-L316 HydrophobicContact CB-CD2 4.06Å; A294-L316 WeakPolarHBondContact O-CA 3.38Å; A294-L316 WeakPolarHBondContact O-CB 3.04Å; A294-L316 WeakPolarHBondContact O-CD2 3.36Å; A294-E317 PolarHBondContact O-N 2.61Å; A294-Y355 PolarHBondContact N-O 2.84Å; A294-F357 HydrophobicContact CB-CB 4.05Å
295	K	98.8	Very high	98	Very high	53 Å²	53	37.7 Å²	37.7	23%	0.23	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-77	164.4	170.2	-65	-179.9	167.7	-161.3	0	111.1	H190 D192 Q298 L299 E317	H190-K295 VanDerWaalsContact O-CD 3.26Å; H190-K295 WeakPolarHBondContact O-CD 3.45Å; H190-K295 WeakPolarHBondContact O-CE 3.43Å; H190-K295 PolarHBondContact O-NZ 3.3Å; D192-K295 HydrophobicContact CB-CD 3.97Å; K295-Q298 HydrophobicContact CB-CB 4.32Å; K295-Q298 HydrophobicContact CB-CG 4.02Å; K295-Q298 PolarHBondContact O-N 3.38Å; K295-L299 PolarHBondContact O-N 2.83Å; K295-E317 WeakPolarHBondContact CE-OE1 3.44Å; K295-E317 HydrophobicContact CG-CB 4.29Å
296	V	98.7	Very high	98	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-49.6	178	176.6	0	0	0	0	111.5	F168 Y170 Q191 Q298 L299 Y300 L316 D318 R322	F168-V296 HydrophobicContact CD2-CG1 3.89Å; F168-V296 HydrophobicContact CE2-CB 4.37Å; F168-V296 HydrophobicContact CE2-CG1 3.64Å; F168-V296 HydrophobicContact CZ-CG1 4.43Å; Y170-V296 HydrophobicContact CD2-CG1 4.46Å; Y170-V296 HydrophobicContact CE2-CG2 4.26Å; Q191-V296 HydrophobicContact CB-CB 4.28Å; Q191-V296 HydrophobicContact CG-CB 4.2Å; Q191-V296 HydrophobicContact CG-CG2 4.48Å; Q191-V296 VanDerWaalsContact OE1-CG2 3.26Å; V296-Q298 VanDerWaalsContact C-N 3.28Å; V296-Q298 PolarHBondContact O-N 2.88Å; V296-L299 WeakPolarHBondContact O-CB 3.48Å; V296-L299 PolarHBondContact O-N 2.8Å; V296-L299 VanDerWaalsContact O-N 3.07Å; V296-Y300 HydrophobicContact CG1-CD2 3.88Å; V296-Y300 HydrophobicContact CG1-CE2 3.81Å; V296-Y300 WeakPolarHBondContact O-CD2 3.32Å; V296-Y300 PolarHBondContact O-N 2.93Å; V296-Y300 VanDerWaalsContact O-N 3.09Å; V296-L316 HydrophobicContact CB-CD1 4.42Å; V296-L316 HydrophobicContact CG2-CD1 3.79Å; V296-D318 VanDerWaalsContact CG2-OD2 3.27Å; V296-D318 WeakPolarHBondContact CG2-OD2 3.2Å; V296-R322 VanDerWaalsContact CG1-NH1 3.27Å
297	G	98.4	Very high	97.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-42	178	0	0	0	0	0	111.7	Q191 T261 L299 Y300 A301	Q191-G297 WeakPolarHBondContact O-CA 3.47Å; Q191-G297 PolarHBondContact O-N 2.78Å; T261-G297 WeakPolarHBondContact CG2-O 3.49Å; G297-L299 VanDerWaalsContact C-N 3.32Å; G297-L299 PolarHBondContact O-N 2.89Å; G297-Y300 PolarHBondContact O-N 3.01Å; G297-Y300 VanDerWaalsContact O-N 3.11Å; G297-A301 WeakPolarHBondContact O-CB 3.33Å; G297-A301 PolarHBondContact O-N 2.94Å
298	Q	98.6	Very high	97.9	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.075	22%	0.22	C	C	.	.	H	α-helix	trans	-57.8	-42.3	174.2	-64.9	172.7	-15.6	0	0	112.6	D192 L264 V268 K295 V296 Y300 A301 A302 F357	D192-Q298 HydrophobicContact CB-CG 4.06Å; L264-Q298 HydrophobicContact CD1-CB 4.11Å; L264-Q298 HydrophobicContact CD1-CG 4.49Å; L264-Q298 WeakPolarHBondContact CD1-O 2.93Å; L264-Q298 HydrophobicContact CD2-CB 4.3Å; L264-Q298 HydrophobicContact CD2-CG 3.99Å; V268-Q298 HydrophobicContact CG2-CB 3.84Å; V268-Q298 WeakPolarHBondContact CG2-O 3.48Å; K295-Q298 HydrophobicContact CB-CB 4.32Å; K295-Q298 HydrophobicContact CB-CG 4.02Å; K295-Q298 PolarHBondContact O-N 3.38Å; V296-Q298 VanDerWaalsContact C-N 3.28Å; V296-Q298 PolarHBondContact O-N 2.88Å; Q298-Y300 PolarHBondContact O-N 3.37Å; Q298-A301 PolarHBondContact O-N 3.32Å; Q298-A302 WeakPolarHBondContact O-CB 3.39Å; Q298-A302 PolarHBondContact O-N 2.82Å; Q298-F357 HydrophobicContact CG-CD2 4.43Å; Q298-F357 VanDerWaalsContact OE1-CB 3.31Å
299	L	98.8	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-41.9	176.2	-173.6	68.1	0	0	0	112.1	V268 K295 V296 G297 A302 W303 L308 L316 R322 P324 V339 Y355	V268-L299 HydrophobicContact CG1-CD1 4.07Å; K295-L299 PolarHBondContact O-N 2.83Å; V296-L299 WeakPolarHBondContact O-CB 3.48Å; V296-L299 PolarHBondContact O-N 2.8Å; V296-L299 VanDerWaalsContact O-N 3.07Å; G297-L299 VanDerWaalsContact C-N 3.32Å; G297-L299 PolarHBondContact O-N 2.89Å; L299-A302 PolarHBondContact O-N 2.62Å; L299-W303 WeakPolarHBondContact O-CB 3.22Å; L299-W303 PolarHBondContact O-N 3.3Å; L299-L308 HydrophobicContact CD1-CD2 3.96Å; L299-L316 HydrophobicContact CB-CD1 4.32Å; L299-L316 HydrophobicContact CB-CD2 4.26Å; L299-L316 HydrophobicContact CD2-CD1 3.81Å; L299-L316 HydrophobicContact CD2-CD2 4.12Å; L299-L316 HydrophobicContact CD2-CG 4.42Å; L299-R322 HydrophobicContact CD2-CB 3.66Å; L299-P324 HydrophobicContact CD1-CB 4.47Å; L299-P324 HydrophobicContact CD1-CG 3.99Å; L299-V339 HydrophobicContact CD2-CG1 3.64Å; L299-V339 HydrophobicContact CG-CG1 4.36Å; L299-Y355 HydrophobicContact CD1-CD1 3.8Å; L299-Y355 HydrophobicContact CD1-CE1 4.09Å; L299-Y355 HydrophobicContact CD1-CG 4.03Å
300	Y	98.6	Very high	97.8	Very high	18 Å²	18	36.2 Å²	36.2	7%	0.071	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-42.6	176.7	-86.2	-88.7	0	0	0	112.2	V166 F168 V296 G297 Q298 W303 K304 V339	V166-Y300 HydrophobicContact CG2-CD1 4.33Å; F168-Y300 HydrophobicContact CB-CD1 3.5Å; F168-Y300 VanDerWaalsContact CB-CD1 3.5Å; F168-Y300 HydrophobicContact CB-CD2 3.6Å; F168-Y300 HydrophobicContact CB-CE1 3.39Å; F168-Y300 HydrophobicContact CB-CE2 3.52Å; F168-Y300 HydrophobicContact CB-CG 3.6Å; F168-Y300 HydrophobicContact CD1-CD2 4.07Å; F168-Y300 HydrophobicContact CD1-CG 4.03Å; F168-Y300 AromaticContact CD2-CD2 3.9Å; F168-Y300 HydrophobicContact CD2-CD2 3.9Å; F168-Y300 AromaticContact CD2-CE2 3.88Å; F168-Y300 HydrophobicContact CD2-CE2 3.88Å; F168-Y300 HydrophobicContact CG-CD1 4.27Å; F168-Y300 AromaticContact CG-CD2 3.6Å; F168-Y300 HydrophobicContact CG-CD2 3.6Å; F168-Y300 HydrophobicContact CG-CE1 4.43Å; F168-Y300 AromaticContact CG-CE2 3.81Å; F168-Y300 HydrophobicContact CG-CE2 3.81Å; F168-Y300 AromaticContact CG-CG 3.84Å; F168-Y300 HydrophobicContact CG-CG 3.84Å; V296-Y300 HydrophobicContact CG1-CD2 3.88Å; V296-Y300 HydrophobicContact CG1-CE2 3.81Å; V296-Y300 WeakPolarHBondContact O-CD2 3.32Å; V296-Y300 PolarHBondContact O-N 2.93Å; V296-Y300 VanDerWaalsContact O-N 3.09Å; G297-Y300 PolarHBondContact O-N 3.01Å; G297-Y300 VanDerWaalsContact O-N 3.11Å; Q298-Y300 PolarHBondContact O-N 3.37Å; Y300-W303 HydrophobicContact CD1-CE3 4.33Å; Y300-W303 WeakPolarHBondContact O-CB 3.44Å; Y300-W303 PolarHBondContact O-N 2.84Å; Y300-K304 PolarHBondContact O-N 2.88Å; Y300-V339 HydrophobicContact CD1-CB 4.15Å; Y300-V339 HydrophobicContact CD1-CG2 3.66Å; Y300-V339 HydrophobicContact CD2-CB 4.39Å; Y300-V339 HydrophobicContact CD2-CG2 4.16Å; Y300-V339 HydrophobicContact CE1-CB 3.67Å; Y300-V339 HydrophobicContact CE1-CG2 3.72Å; Y300-V339 HydrophobicContact CE2-CB 3.92Å; Y300-V339 HydrophobicContact CE2-CG1 4.04Å; Y300-V339 HydrophobicContact CE2-CG2 4.19Å; Y300-V339 HydrophobicContact CG-CB 4.5Å; Y300-V339 HydrophobicContact CG-CG2 3.9Å
301	A	98.1	Very high	97.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-42.2	175.4	0	0	0	0	0	111.5	T261 S262 L264 G297 Q298 K304 F305	T261-A301 HydrophobicContact CG2-CB 4.11Å; S262-A301 VanDerWaalsContact O-CB 3.27Å; S262-A301 WeakPolarHBondContact O-CB 3.31Å; L264-A301 HydrophobicContact CD1-CB 4.02Å; L264-A301 HydrophobicContact CD2-CB 3.67Å; L264-A301 HydrophobicContact CG-CB 3.59Å; G297-A301 WeakPolarHBondContact O-CB 3.33Å; G297-A301 PolarHBondContact O-N 2.94Å; Q298-A301 PolarHBondContact O-N 3.32Å; A301-K304 PolarHBondContact O-N 2.81Å; A301-F305 HydrophobicContact CB-CD2 4.33Å; A301-F305 WeakPolarHBondContact O-CB 3.45Å; A301-F305 VanDerWaalsContact O-CD2 3.31Å; A301-F305 WeakPolarHBondContact O-CD2 3.28Å; A301-F305 PolarHBondContact O-N 3.27Å
302	A	98.4	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.7	-37.8	175.9	0	0	0	0	0	112.8	L264 V268 Q298 L299 Q306 L307 L308	L264-A302 HydrophobicContact CD1-CB 4.41Å; V268-A302 HydrophobicContact CB-CB 3.55Å; V268-A302 HydrophobicContact CG1-CB 4.39Å; V268-A302 HydrophobicContact CG2-CB 3.81Å; Q298-A302 WeakPolarHBondContact O-CB 3.39Å; Q298-A302 PolarHBondContact O-N 2.82Å; L299-A302 PolarHBondContact O-N 2.62Å; A302-Q306 HydrophobicContact CB-CB 4.33Å; A302-Q306 HydrophobicContact CB-CG 4.4Å; A302-Q306 CarbonylContact O-C 3.6Å; A302-Q306 VanDerWaalsContact O-C 3.32Å; A302-Q306 VanDerWaalsContact O-CA 3.27Å; A302-Q306 WeakPolarHBondContact O-CA 3.42Å; A302-Q306 VanDerWaalsContact O-CB 3.26Å; A302-Q306 WeakPolarHBondContact O-CB 3.31Å; A302-Q306 PolarHBondContact O-N 2.98Å; A302-L307 PolarHBondContact O-N 2.99Å; A302-L307 VanDerWaalsContact O-N 3.15Å; A302-L308 HydrophobicContact CB-CB 4.17Å; A302-L308 HydrophobicContact CB-CD2 3.97Å; A302-L308 WeakPolarHBondContact O-CB 3.41Å; A302-L308 PolarHBondContact O-N 2.81Å; A302-L308 VanDerWaalsContact O-N 3.1Å
303	W	97.9	Very high	97.5	Very high	43 Å²	43	36.6 Å²	36.6	16%	0.163	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-47.6	172.3	165.8	72	0	0	0	111.8	V166 L299 Y300 P324 I325 P337 G338 V339	V166-W303 HydrophobicContact CG2-CE3 4.29Å; V166-W303 HydrophobicContact CG2-CZ3 3.83Å; L299-W303 WeakPolarHBondContact O-CB 3.22Å; L299-W303 PolarHBondContact O-N 3.3Å; Y300-W303 HydrophobicContact CD1-CE3 4.33Å; Y300-W303 WeakPolarHBondContact O-CB 3.44Å; Y300-W303 PolarHBondContact O-N 2.84Å; W303-P324 HydrophobicContact CB-CB 3.83Å; W303-P324 HydrophobicContact CG-CB 4.14Å; W303-I325 PolarHBondContact NE1-O 2.83Å; W303-P337 HydrophobicContact CZ2-CB 4.18Å; W303-G338 VanDerWaalsContact CZ2-CA 3.48Å; W303-V339 HydrophobicContact CB-CG2 3.96Å; W303-V339 HydrophobicContact CD2-CG2 4.32Å; W303-V339 HydrophobicContact CG-CG2 4.03Å
304	K	97.3	Very high	97.5	Very high	73 Å²	73	35.9 Å²	35.9	32%	0.317	17%	0.174	S	C	.	.	H	α-helix	trans	-73.4	-46.3	-177.1	-174.6	69.4	167.4	-170.4	0	113	V166 E207 Y300 A301	V166-K304 HydrophobicContact CB-CB 4.19Å; V166-K304 HydrophobicContact CB-CG 4.22Å; V166-K304 HydrophobicContact CG1-CB 4.33Å; V166-K304 HydrophobicContact CG2-CB 4.49Å; E207-K304 IonicContact OE2-NZ 2.77Å; E207-K304 PolarHBondContact OE2-NZ 2.04Å; Y300-K304 PolarHBondContact O-N 2.88Å; A301-K304 PolarHBondContact O-N 2.81Å
305	F	96.8	Very high	97.5	Very high	65 Å²	65	35.9 Å²	35.9	29%	0.285	17%	0.174	S	C	.	.	H	α-helix	trans	-107.1	-25	-167.3	-59.6	-68.5	0	0	0	114.5	A301	A301-F305 HydrophobicContact CB-CD2 4.33Å; A301-F305 WeakPolarHBondContact O-CB 3.45Å; A301-F305 VanDerWaalsContact O-CD2 3.31Å; A301-F305 WeakPolarHBondContact O-CD2 3.28Å; A301-F305 PolarHBondContact O-N 3.27Å
306	Q	97.1	Very high	97.5	Very high	62 Å²	62	33.4 Å²	33.4	29%	0.29	16%	0.163	S	C	.	.	S	Bend	trans	-102.5	2.9	177.6	-54	179.4	-3.3	0	0	112	G266 A302 L308	G266-Q306 PolarHBondContact O-NE2 3.15Å; A302-Q306 HydrophobicContact CB-CB 4.33Å; A302-Q306 HydrophobicContact CB-CG 4.4Å; A302-Q306 CarbonylContact O-C 3.6Å; A302-Q306 VanDerWaalsContact O-C 3.32Å; A302-Q306 VanDerWaalsContact O-CA 3.27Å; A302-Q306 WeakPolarHBondContact O-CA 3.42Å; A302-Q306 VanDerWaalsContact O-CB 3.26Å; A302-Q306 WeakPolarHBondContact O-CB 3.31Å; A302-Q306 PolarHBondContact O-N 2.98Å; Q306-L308 PolarHBondContact O-N 2.85Å
307	L	97.2	Very high	97.5	Very high	123 Å²	123	37 Å²	37	64%	0.644	18%	0.18	S	C	*	.			trans	50.2	38.9	-176.9	-55.1	177.2	0	0	0	112	A302 D309 V326	A302-L307 PolarHBondContact O-N 2.99Å; A302-L307 VanDerWaalsContact O-N 3.15Å; L307-D309 PolarHBondContact O-N 3.3Å; L307-V326 HydrophobicContact CD2-CG1 4.29Å
308	L	97.8	Very high	97.4	Very high	30 Å²	30	38 Å²	38	16%	0.157	19%	0.185	C	C	.	.			trans	-68.1	100.9	-179.5	-178.5	62.9	0	0	0	109.8	V268 L299 A302 Q306 P324 Y355	V268-L308 HydrophobicContact CB-CD2 4.16Å; V268-L308 HydrophobicContact CG1-CD2 3.82Å; L299-L308 HydrophobicContact CD1-CD2 3.96Å; A302-L308 HydrophobicContact CB-CB 4.17Å; A302-L308 HydrophobicContact CB-CD2 3.97Å; A302-L308 WeakPolarHBondContact O-CB 3.41Å; A302-L308 PolarHBondContact O-N 2.81Å; A302-L308 VanDerWaalsContact O-N 3.1Å; Q306-L308 PolarHBondContact O-N 2.85Å; L308-P324 HydrophobicContact CB-CG 4.45Å; L308-P324 HydrophobicContact CD2-CG 4.05Å; L308-P324 HydrophobicContact CG-CG 3.84Å; L308-P324 VanDerWaalsContact O-CB 3.28Å; L308-P324 WeakPolarHBondContact O-CB 3.41Å; L308-P324 VanDerWaalsContact O-CG 3.25Å; L308-P324 WeakPolarHBondContact O-CG 3.41Å; L308-Y355 HydrophobicContact CD2-CD1 4.23Å; L308-Y355 HydrophobicContact CD2-CE1 4.23Å
309	D	96.3	Very high	97.4	Very high	49 Å²	49	37.2 Å²	37.2	26%	0.262	18%	0.182	S	C	.	.			trans	-107	113.7	175.2	-176.2	47.7	0	0	0	111	L307 I325 V326 R329	L307-D309 PolarHBondContact O-N 3.3Å; D309-I325 VanDerWaalsContact OD1-CA 3.3Å; D309-I325 WeakPolarHBondContact OD1-CA 3.33Å; D309-V326 HydrophobicContact CB-CB 3.99Å; D309-V326 HydrophobicContact CB-CG2 4.04Å; D309-V326 PolarHBondContact OD1-N 2.8Å; D309-R329 IonicContact OD1-CZ 3.91Å; D309-R329 IonicContact OD1-NH2 2.7Å; D309-R329 PolarHBondContact OD1-NH2 2.96Å; D309-R329 IonicContact OD2-CZ 2.98Å; D309-R329 IonicContact OD2-NH1 3.36Å; D309-R329 PolarHBondContact OD2-NH1 2.74Å; D309-R329 IonicContact OD2-NH2 3.43Å; D309-R329 PolarHBondContact OD2-NH2 2.93Å
310	R	95.7	Very high	97.4	Very high	86 Å²	86	37.2 Å²	37.2	33%	0.325	18%	0.182	S	C	.	.			trans	-146.4	112.9	-179.9	-172.6	70.5	179.3	-175.6	3.7	111.4	F270 E312 P324 Y355	F270-R310 HydrophobicContact CB-CG 4.24Å; F270-R310 HydrophobicContact CD2-CG 4.3Å; F270-R310 HydrophobicContact CG-CG 4.22Å; R310-E312 HydrophobicContact CG-CB 3.93Å; R310-E312 IonicContact CZ-OE2 3.74Å; R310-E312 IonicContact NE-OE2 3.03Å; R310-E312 PolarHBondContact NE-OE2 3.07Å; R310-E312 IonicContact NH2-OE2 2.83Å; R310-E312 PolarHBondContact NH2-OE2 2.57Å; R310-E312 PolarHBondContact O-N 2.99Å; R310-P324 CarbonylContact C-O 3.51Å; R310-P324 HydrophobicContact CB-CG 4.46Å; R310-P324 PolarHBondContact N-O 3.39Å; R310-Y355 HydrophobicContact CB-CE1 4.32Å; R310-Y355 WeakPolarHBondContact CB-OH 3.48Å; R310-Y355 HydrophobicContact CG-CE1 4.43Å; R310-Y355 WeakPolarHBondContact CG-OH 3.48Å
311	C	93.8	Very high	97.4	Very high	62 Å²	62	36.4 Å²	36.4	42%	0.419	18%	0.179	S	C	.	.			trans	-76.7	54.1	169.6	-173	0	0	0	0	112.9	I325 C332	C311-I325 HydrophobicContact CB-CD1 4.34Å; C311-C332 WeakPolarHBondContact CA-SG 3.25Å; C311-C332 HydrophobicContact CB-CB 3.69Å; C311-C332 WeakPolarHBondContact CB-SG 3.31Å; C311-C332 WeakPolarHBondContact SG-CB 3.37Å; C311-C332 CovalentContact SG-SG 1.98Å; C311-C332 PolarHBondContact SG-SG 2.86Å
312	E	95.2	Very high	97.4	Very high	54 Å²	54	36.5 Å²	36.5	25%	0.252	18%	0.179	S	C	.	.	S	Bend	trans	-149.2	120.1	178	-160.9	172.1	170.9	0	0	111.2	F270 R310 G314 Y323 Y355	F270-E312 VanDerWaalsContact CE1-CD 3.42Å; F270-E312 HydrophobicContact CE1-CG 4.24Å; F270-E312 WeakPolarHBondContact CE1-OE2 3.34Å; F270-E312 HydrophobicContact CE2-CB 4.03Å; F270-E312 HydrophobicContact CE2-CG 3.97Å; F270-E312 HydrophobicContact CZ-CB 3.96Å; F270-E312 HydrophobicContact CZ-CG 3.53Å; F270-E312 VanDerWaalsContact CZ-OE1 3.32Å; F270-E312 WeakPolarHBondContact CZ-OE1 3.39Å; F270-E312 WeakPolarHBondContact CZ-OE2 3.41Å; R310-E312 HydrophobicContact CG-CB 3.93Å; R310-E312 IonicContact CZ-OE2 3.74Å; R310-E312 IonicContact NE-OE2 3.03Å; R310-E312 PolarHBondContact NE-OE2 3.07Å; R310-E312 IonicContact NH2-OE2 2.83Å; R310-E312 PolarHBondContact NH2-OE2 2.57Å; R310-E312 PolarHBondContact O-N 2.99Å; E312-G314 PolarHBondContact O-N 3.16Å; E312-Y323 VanDerWaalsContact O-CB 3.24Å; E312-Y323 WeakPolarHBondContact O-CB 3.2Å; E312-Y355 PolarHBondContact O-OH 2.87Å
313	A	96.7	Very high	97.3	Very high	19 Å²	19	38.2 Å²	38.2	16%	0.157	19%	0.186	C	C	.	.			trans	-65.8	128.7	178	0	0	0	0	0	111.2	I321 Y323 L342 Y352 G353	A313-I321 HydrophobicContact CB-CG2 3.6Å; A313-Y323 HydrophobicContact CB-CD1 4.22Å; A313-L342 HydrophobicContact CB-CD1 3.79Å; A313-Y352 HydrophobicContact CB-CD1 3.81Å; A313-Y352 HydrophobicContact CB-CE1 4.17Å; A313-G353 PolarHBondContact O-N 3.46Å; A313-G353 VanDerWaalsContact O-N 3.11Å
314	G	98.2	Very high	97.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	156	-179.7	0	0	0	0	0	113.3	E312 I321 R322 G353	E312-G314 PolarHBondContact O-N 3.16Å; G314-I321 WeakPolarHBondContact O-CA 3.31Å; G314-R322 PolarHBondContact N-O 3.02Å; G314-R322 PolarHBondContact O-N 3.05Å; G314-R322 VanDerWaalsContact O-N 3.08Å; G314-G353 CarbonylContact C-O 3.39Å; G314-G353 VanDerWaalsContact CA-O 3.23Å; G314-G353 WeakPolarHBondContact CA-O 3.27Å
315	W	98.7	Very high	97.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	139.3	172.5	-66.2	108.5	0	0	0	111.6	V277 Y279 A282 G319 I321 P345 K347 R350 Y352 G353 V354 Y355	V277-W315 PolarHBondContact O-NE1 3.17Å; Y279-W315 HydrophobicContact CD2-CB 4.4Å; Y279-W315 AromaticContact CD2-CD2 3.98Å; Y279-W315 HydrophobicContact CD2-CD2 3.98Å; Y279-W315 AromaticContact CD2-CE3 3.69Å; Y279-W315 HydrophobicContact CD2-CE3 3.69Å; Y279-W315 HydrophobicContact CD2-CG 4.32Å; Y279-W315 HydrophobicContact CD2-CZ3 4.3Å; Y279-W315 HydrophobicContact CG-CE3 4.36Å; A282-W315 HydrophobicContact CB-CB 4.14Å; A282-W315 HydrophobicContact CB-CG 4.12Å; W315-G319 VanDerWaalsContact CZ3-O 3.31Å; W315-G319 WeakPolarHBondContact CZ3-O 3.11Å; W315-I321 HydrophobicContact CB-CD1 4.37Å; W315-I321 HydrophobicContact CD2-CD1 3.31Å; W315-I321 HydrophobicContact CE3-CD1 3.27Å; W315-I321 HydrophobicContact CE3-CG1 4.17Å; W315-I321 HydrophobicContact CG-CD1 3.81Å; W315-I321 HydrophobicContact CH2-CD1 4.12Å; W315-I321 HydrophobicContact CZ2-CD1 4.16Å; W315-I321 HydrophobicContact CZ3-CD1 3.69Å; W315-I321 HydrophobicContact CZ3-CG1 4.17Å; W315-P345 HydrophobicContact CH2-CB 4.44Å; W315-P345 HydrophobicContact CH2-CG 3.79Å; W315-P345 HydrophobicContact CZ3-CG 4.02Å; W315-K347 HydrophobicContact CH2-CG 4.43Å; W315-K347 HydrophobicContact CZ3-CG 4.32Å; W315-R350 HydrophobicContact CZ2-CB 4.48Å; W315-Y352 AromaticContact CE2-CD2 3.99Å; W315-Y352 HydrophobicContact CH2-CD2 4.49Å; W315-Y352 AromaticContact CZ2-CD2 3.88Å; W315-Y352 HydrophobicContact CZ2-CD2 3.88Å; W315-G353 VanDerWaalsContact CD1-O 3.23Å; W315-G353 PolarHBondContact N-O 2.84Å; W315-V354 HydrophobicContact CB-CG2 4.32Å; W315-Y355 PolarHBondContact O-N 3.46Å
316	L	98.8	Very high	97.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.			trans	-113.3	168.7	163.3	-63.9	-177.9	0	0	0	110.6	Y279 V293 A294 V296 L299 D318 G319 S320 R322 Y355	Y279-L316 WeakPolarHBondContact CE2-O 3.41Å; V293-L316 VanDerWaalsContact CG1-C 3.43Å; A294-L316 HydrophobicContact CB-CD2 4.06Å; A294-L316 WeakPolarHBondContact O-CA 3.38Å; A294-L316 WeakPolarHBondContact O-CB 3.04Å; A294-L316 WeakPolarHBondContact O-CD2 3.36Å; V296-L316 HydrophobicContact CB-CD1 4.42Å; V296-L316 HydrophobicContact CG2-CD1 3.79Å; L299-L316 HydrophobicContact CB-CD1 4.32Å; L299-L316 HydrophobicContact CB-CD2 4.26Å; L299-L316 HydrophobicContact CD2-CD1 3.81Å; L299-L316 HydrophobicContact CD2-CD2 4.12Å; L299-L316 HydrophobicContact CD2-CG 4.42Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-D318 PolarHBondContact O-N 3.38Å; L316-G319 WeakPolarHBondContact O-CA 3.04Å; L316-G319 PolarHBondContact O-N 3.25Å; L316-S320 PolarHBondContact N-O 3.49Å; L316-S320 VanDerWaalsContact N-O 3.1Å; L316-R322 HydrophobicContact CD1-CB 3.82Å; L316-R322 HydrophobicContact CD1-CG 3.7Å; L316-R322 HydrophobicContact CG-CB 4.43Å; L316-Y355 HydrophobicContact CD2-CD2 4.31Å; L316-Y355 HydrophobicContact CD2-CG 4.39Å
317	E	98.4	Very high	97	Very high	75 Å²	75	33.4 Å²	33.4	35%	0.35	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-42.2	-174.2	-173.5	-141.7	-137.1	0	0	112.5	Y279 V293 A294 K295 G319	Y279-E317 PolarHBondContact OH-O 3.48Å; V293-E317 HydrophobicContact CB-CB 4.46Å; V293-E317 HydrophobicContact CG1-CB 4.47Å; A294-E317 PolarHBondContact O-N 2.61Å; K295-E317 WeakPolarHBondContact CE-OE1 3.44Å; K295-E317 HydrophobicContact CG-CB 4.29Å; E317-G319 PolarHBondContact O-N 3.42Å
318	D	97.8	Very high	96.6	Very high	21 Å²	21	30.3 Å²	30.3	11%	0.112	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.1	176.7	72.2	-15.3	0	0	0	113.4	V296 L316 S320 R322 F344	V296-D318 VanDerWaalsContact CG2-OD2 3.27Å; V296-D318 WeakPolarHBondContact CG2-OD2 3.2Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-D318 PolarHBondContact O-N 3.38Å; D318-S320 VanDerWaalsContact C-N 3.32Å; D318-S320 VanDerWaalsContact CG-OG 3.25Å; D318-S320 WeakPolarHBondContact OD1-CB 3.17Å; D318-S320 PolarHBondContact OD1-N 2.97Å; D318-S320 PolarHBondContact OD1-OG 2.94Å; D318-S320 PolarHBondContact OD2-OG 2.94Å; D318-S320 VanDerWaalsContact OD2-OG 3.13Å; D318-R322 IonicContact OD2-NH2 3.99Å; D318-F344 HydrophobicContact CB-CE1 4.49Å
319	G	97.9	Very high	96.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	17%	0.169	C	C	.	.	S	Bend	trans	82	10.6	-176	0	0	0	0	0	113.7	W315 L316 E317	W315-G319 VanDerWaalsContact CZ3-O 3.31Å; W315-G319 WeakPolarHBondContact CZ3-O 3.11Å; L316-G319 WeakPolarHBondContact O-CA 3.04Å; L316-G319 PolarHBondContact O-N 3.25Å; E317-G319 PolarHBondContact O-N 3.42Å
320	S	98.4	Very high	95.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.			trans	-75.5	157.2	166.9	69	0	0	0	0	110.7	L316 D318 R322 H341 G343	L316-S320 PolarHBondContact N-O 3.49Å; L316-S320 VanDerWaalsContact N-O 3.1Å; D318-S320 VanDerWaalsContact C-N 3.32Å; D318-S320 VanDerWaalsContact CG-OG 3.25Å; D318-S320 WeakPolarHBondContact OD1-CB 3.17Å; D318-S320 PolarHBondContact OD1-N 2.97Å; D318-S320 PolarHBondContact OD1-OG 2.94Å; D318-S320 PolarHBondContact OD2-OG 2.94Å; D318-S320 VanDerWaalsContact OD2-OG 3.13Å; S320-R322 PolarHBondContact OG-NE 3.25Å; S320-H341 WeakPolarHBondContact CB-NE2 3.34Å; S320-G343 WeakPolarHBondContact CA-O 3.31Å
321	I	98.3	Very high	95.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.9	169.8	-63.5	-57.8	0	0	0	109.3	A313 G314 W315 L342 G343 P345 Y352	A313-I321 HydrophobicContact CB-CG2 3.6Å; G314-I321 WeakPolarHBondContact O-CA 3.31Å; W315-I321 HydrophobicContact CB-CD1 4.37Å; W315-I321 HydrophobicContact CD2-CD1 3.31Å; W315-I321 HydrophobicContact CE3-CD1 3.27Å; W315-I321 HydrophobicContact CE3-CG1 4.17Å; W315-I321 HydrophobicContact CG-CD1 3.81Å; W315-I321 HydrophobicContact CH2-CD1 4.12Å; W315-I321 HydrophobicContact CZ2-CD1 4.16Å; W315-I321 HydrophobicContact CZ3-CD1 3.69Å; W315-I321 HydrophobicContact CZ3-CG1 4.17Å; I321-L342 HydrophobicContact CB-CB 4.15Å; I321-L342 HydrophobicContact CG2-CB 4.03Å; I321-L342 HydrophobicContact CG2-CD1 3.96Å; I321-L342 HydrophobicContact CG2-CG 4.32Å; I321-L342 PolarHBondContact O-N 3.01Å; I321-G343 PolarHBondContact N-O 2.73Å; I321-P345 HydrophobicContact CB-CG 4.4Å; I321-P345 HydrophobicContact CD1-CG 4.25Å; I321-P345 HydrophobicContact CG1-CG 3.32Å; I321-Y352 HydrophobicContact CD1-CD1 4.29Å; I321-Y352 HydrophobicContact CD1-CD2 3.39Å; I321-Y352 HydrophobicContact CD1-CE2 3.97Å; I321-Y352 HydrophobicContact CD1-CG 3.57Å; I321-Y352 HydrophobicContact CG1-CD1 4.43Å; I321-Y352 HydrophobicContact CG1-CD2 3.72Å; I321-Y352 HydrophobicContact CG1-CE1 4.47Å; I321-Y352 HydrophobicContact CG1-CE2 3.74Å; I321-Y352 HydrophobicContact CG1-CG 4.07Å; I321-Y352 HydrophobicContact CG2-CD1 3.9Å; I321-Y352 HydrophobicContact CG2-CE1 3.97Å; I321-Y352 HydrophobicContact CG2-CG 4.26Å
322	R	98.1	Very high	94.7	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	163.8	-180	-54.8	-165.6	-166.3	-148.3	4.4	112.5	V296 L299 G314 L316 D318 S320 V339 R340 Y355	V296-R322 VanDerWaalsContact CG1-NH1 3.27Å; L299-R322 HydrophobicContact CD2-CB 3.66Å; G314-R322 PolarHBondContact N-O 3.02Å; G314-R322 PolarHBondContact O-N 3.05Å; G314-R322 VanDerWaalsContact O-N 3.08Å; L316-R322 HydrophobicContact CD1-CB 3.82Å; L316-R322 HydrophobicContact CD1-CG 3.7Å; L316-R322 HydrophobicContact CG-CB 4.43Å; D318-R322 IonicContact OD2-NH2 3.99Å; S320-R322 PolarHBondContact OG-NE 3.25Å; R322-V339 HydrophobicContact CB-CG1 3.96Å; R322-R340 WeakPolarHBondContact CA-O 3.44Å; R322-R340 VanDerWaalsContact CB-O 3.3Å; R322-R340 WeakPolarHBondContact CB-O 3.48Å; R322-Y355 VanDerWaalsContact O-CE2 3.31Å; R322-Y355 WeakPolarHBondContact O-CE2 3.48Å
323	Y	97.4	Very high	93.5	Very high	35 Å²	35	39.8 Å²	39.8	14%	0.137	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	137.9	168.4	62.3	-84.6	0	0	0	111.2	E312 A313 I325 R340 L342	E312-Y323 VanDerWaalsContact O-CB 3.24Å; E312-Y323 WeakPolarHBondContact O-CB 3.2Å; A313-Y323 HydrophobicContact CB-CD1 4.22Å; Y323-I325 HydrophobicContact CD2-CD1 3.95Å; Y323-I325 HydrophobicContact CD2-CG1 3.88Å; Y323-I325 HydrophobicContact CE2-CD1 4.1Å; Y323-I325 HydrophobicContact CE2-CG1 3.86Å; Y323-R340 HydrophobicContact CD1-CB 3.95Å; Y323-R340 HydrophobicContact CD2-CB 4.24Å; Y323-R340 HydrophobicContact CD2-CG 4.34Å; Y323-R340 HydrophobicContact CE1-CB 3.49Å; Y323-R340 VanDerWaalsContact CE1-CB 3.49Å; Y323-R340 HydrophobicContact CE1-CG 4.23Å; Y323-R340 HydrophobicContact CE2-CB 3.82Å; Y323-R340 HydrophobicContact CE2-CG 3.68Å; Y323-R340 HydrophobicContact CG-CB 4.29Å; Y323-R340 VanDerWaalsContact CZ-CB 3.42Å; Y323-R340 PolarHBondContact N-O 2.73Å; Y323-R340 VanDerWaalsContact N-O 3.16Å; Y323-R340 PolarHBondContact O-N 2.94Å; Y323-L342 HydrophobicContact CD1-CD1 4.35Å; Y323-L342 HydrophobicContact CD1-CG 4.47Å; Y323-L342 HydrophobicContact CE1-CD1 4.02Å; Y323-L342 HydrophobicContact CE1-CD2 4.08Å; Y323-L342 HydrophobicContact CE1-CG 4.04Å
324	P	97.3	Very high	92.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.1	-177.9	36.6	-33.6	0	0	0	112.1	L299 W303 L308 R310 V339 Y355	L299-P324 HydrophobicContact CD1-CB 4.47Å; L299-P324 HydrophobicContact CD1-CG 3.99Å; W303-P324 HydrophobicContact CB-CB 3.83Å; W303-P324 HydrophobicContact CG-CB 4.14Å; L308-P324 HydrophobicContact CB-CG 4.45Å; L308-P324 HydrophobicContact CD2-CG 4.05Å; L308-P324 HydrophobicContact CG-CG 3.84Å; L308-P324 VanDerWaalsContact O-CB 3.28Å; L308-P324 WeakPolarHBondContact O-CB 3.41Å; L308-P324 VanDerWaalsContact O-CG 3.25Å; L308-P324 WeakPolarHBondContact O-CG 3.41Å; R310-P324 CarbonylContact C-O 3.51Å; R310-P324 HydrophobicContact CB-CG 4.46Å; R310-P324 PolarHBondContact N-O 3.39Å; P324-V339 HydrophobicContact CB-CG2 4.19Å; P324-Y355 VanDerWaalsContact CD-OH 3.24Å; P324-Y355 WeakPolarHBondContact CD-OH 3.39Å; P324-Y355 HydrophobicContact CG-CE1 4.28Å
325	I	96.5	Very high	92.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	113.7	175.9	-60.1	-66.5	0	0	0	109.6	W303 D309 C311 Y323 N327 C332 P337 G338	W303-I325 PolarHBondContact NE1-O 2.83Å; D309-I325 VanDerWaalsContact OD1-CA 3.3Å; D309-I325 WeakPolarHBondContact OD1-CA 3.33Å; C311-I325 HydrophobicContact CB-CD1 4.34Å; Y323-I325 HydrophobicContact CD2-CD1 3.95Å; Y323-I325 HydrophobicContact CD2-CG1 3.88Å; Y323-I325 HydrophobicContact CE2-CD1 4.1Å; Y323-I325 HydrophobicContact CE2-CG1 3.86Å; I325-N327 WeakPolarHBondContact CG2-O 3.32Å; I325-C332 HydrophobicContact CD1-CB 4.34Å; I325-P337 CarbonylContact O-C 3.45Å; I325-P337 WeakPolarHBondContact O-CA 3.1Å; I325-P337 WeakPolarHBondContact O-CB 3.32Å; I325-G338 PolarHBondContact N-O 2.84Å; I325-G338 PolarHBondContact O-N 3.36Å
326	V	95	Very high	91.7	Very high	33 Å²	33	50.9 Å²	50.9	20%	0.2	27%	0.273	C	S	.	.	S	Bend	trans	-89.5	-44.3	173.8	-179	0	0	0	0	110	L307 D309 P328	L307-V326 HydrophobicContact CD2-CG1 4.29Å; D309-V326 HydrophobicContact CB-CB 3.99Å; D309-V326 HydrophobicContact CB-CG2 4.04Å; D309-V326 PolarHBondContact OD1-N 2.8Å; V326-P328 WeakPolarHBondContact O-CD 3.28Å
327	N	92.8	Very high	91.4	Very high	110 Å²	110	54.1 Å²	54.1	59%	0.588	29%	0.294	S	S	*	.	S	Bend	trans	-108.9	105.2	179.9	-66	-48.6	0	0	0	109.3	I325	I325-N327 WeakPolarHBondContact CG2-O 3.32Å
328	P	90.8	Very high	91.2	Very high	57 Å²	57	50.9 Å²	50.9	37%	0.37	28%	0.281	S	S	.	.			trans	-59.3	142.9	-178.6	-24.5	36.1	0	0	0	112.2	V326 S335 H336 P337	V326-P328 WeakPolarHBondContact O-CD 3.28Å; P328-S335 WeakPolarHBondContact CB-O 2.99Å; P328-H336 VanDerWaalsContact CG-C 3.4Å; P328-P337 HydrophobicContact CG-CB 4.36Å
329	R	89.7	Confident	91.2	Very high	94 Å²	94	50.4 Å²	50.4	36%	0.355	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-145.3	143.4	-178	55.1	-171.5	146.9	-146.5	-14.9	110.2	D309 R331 C332	D309-R329 IonicContact OD1-CZ 3.91Å; D309-R329 IonicContact OD1-NH2 2.7Å; D309-R329 PolarHBondContact OD1-NH2 2.96Å; D309-R329 IonicContact OD2-CZ 2.98Å; D309-R329 IonicContact OD2-NH1 3.36Å; D309-R329 PolarHBondContact OD2-NH1 2.74Å; D309-R329 IonicContact OD2-NH2 3.43Å; D309-R329 PolarHBondContact OD2-NH2 2.93Å; R329-R331 PolarHBondContact O-N 3Å; R329-R331 VanDerWaalsContact O-N 3.07Å; R329-C332 HydrophobicContact CG-CB 3.43Å; R329-C332 VanDerWaalsContact CG-CB 3.43Å; R329-C332 WeakPolarHBondContact CG-O 3.38Å; R329-C332 CarbonylContact O-C 3.5Å; R329-C332 PolarHBondContact O-N 2.89Å
330	S	82.9	Confident	91	Very high	125 Å²	125	53.5 Å²	53.5	87%	0.874	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-34.1	-172.4	56.6	0	0	0	0	114.2
331	R	85.4	Confident	90.9	Very high	242 Å²	242	55.4 Å²	55.4	91%	0.913	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	2.3	178.9	-60.5	-172.7	-177	-167.4	0.9	114.2	R329	R329-R331 PolarHBondContact O-N 3Å; R329-R331 VanDerWaalsContact O-N 3.07Å
332	C	83.8	Confident	90.7	Very high	8 Å²	8	59.8 Å²	59.8	5%	0.054	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-153.3	116.1	-177.4	-153.8	0	0	0	0	115.4	C311 I325 R329 G334	C311-C332 WeakPolarHBondContact CA-SG 3.25Å; C311-C332 HydrophobicContact CB-CB 3.69Å; C311-C332 WeakPolarHBondContact CB-SG 3.31Å; C311-C332 WeakPolarHBondContact SG-CB 3.37Å; C311-C332 CovalentContact SG-SG 1.98Å; C311-C332 PolarHBondContact SG-SG 2.86Å; I325-C332 HydrophobicContact CD1-CB 4.34Å; R329-C332 HydrophobicContact CG-CB 3.43Å; R329-C332 VanDerWaalsContact CG-CB 3.43Å; R329-C332 WeakPolarHBondContact CG-O 3.38Å; R329-C332 CarbonylContact O-C 3.5Å; R329-C332 PolarHBondContact O-N 2.89Å; C332-G334 VanDerWaalsContact C-N 3.27Å; C332-G334 PolarHBondContact O-N 2.98Å
333	G	71.2	Confident	90.7	Very high	11 Å²	11	60.3 Å²	60.3	11%	0.113	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	79.3	6	170.1	0	0	0	0	0	114.9	R340	G333-R340 VanDerWaalsContact O-CZ 3.25Å; G333-R340 PolarHBondContact O-NE 2.72Å; G333-R340 PolarHBondContact O-NH2 2.91Å
334	G	82.2	Confident	90.7	Very high	44 Å²	44	60.6 Å²	60.6	45%	0.454	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	76.4	-154.4	177.4	0	0	0	0	0	112.8	C332	C332-G334 VanDerWaalsContact C-N 3.27Å; C332-G334 PolarHBondContact O-N 2.98Å
335	S	84.3	Confident	90.7	Very high	93 Å²	93	61.7 Å²	61.7	65%	0.65	34%	0.338	S	S	*	.	S	Bend	trans	-88.9	-12.9	-172	50.6	0	0	0	0	115.2	P328	P328-S335 WeakPolarHBondContact CB-O 2.99Å
336	H	88.7	Confident	90.7	Very high	116 Å²	116	65.2 Å²	65.2	54%	0.537	36%	0.357	S	S	.	.	S	Bend	trans	-117	155	-174.8	-61.4	99.6	0	0	0	111.6	P328 R340	P328-H336 VanDerWaalsContact CG-C 3.4Å; H336-R340 PolarHBondContact O-NH2 2.91Å
337	P	92.9	Very high	90.7	Very high	67 Å²	67	66.6 Å²	66.6	44%	0.435	36%	0.36	S	S	.	.			trans	-71.1	171.5	171.7	31	-35.4	0	0	0	111	W303 I325 P328 R340	W303-P337 HydrophobicContact CZ2-CB 4.18Å; I325-P337 CarbonylContact O-C 3.45Å; I325-P337 WeakPolarHBondContact O-CA 3.1Å; I325-P337 WeakPolarHBondContact O-CB 3.32Å; P328-P337 HydrophobicContact CG-CB 4.36Å; P337-R340 PolarHBondContact O-NH1 2.88Å; P337-R340 PolarHBondContact O-NH2 3.46Å
338	G	94.1	Very high	90.9	Very high	8 Å²	8	68.4 Å²	68.4	8%	0.082	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.5	173.5	174	0	0	0	0	0	114.3	W303 I325	W303-G338 VanDerWaalsContact CZ2-CA 3.48Å; I325-G338 PolarHBondContact N-O 2.84Å; I325-G338 PolarHBondContact O-N 3.36Å
339	V	96.8	Very high	91.1	Very high	11 Å²	11	72.7 Å²	72.7	7%	0.067	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.9	172.2	-177.8	0	0	0	0	109.2	L299 Y300 W303 R322 P324	L299-V339 HydrophobicContact CD2-CG1 3.64Å; L299-V339 HydrophobicContact CG-CG1 4.36Å; Y300-V339 HydrophobicContact CD1-CB 4.15Å; Y300-V339 HydrophobicContact CD1-CG2 3.66Å; Y300-V339 HydrophobicContact CD2-CB 4.39Å; Y300-V339 HydrophobicContact CD2-CG2 4.16Å; Y300-V339 HydrophobicContact CE1-CB 3.67Å; Y300-V339 HydrophobicContact CE1-CG2 3.72Å; Y300-V339 HydrophobicContact CE2-CB 3.92Å; Y300-V339 HydrophobicContact CE2-CG1 4.04Å; Y300-V339 HydrophobicContact CE2-CG2 4.19Å; Y300-V339 HydrophobicContact CG-CB 4.5Å; Y300-V339 HydrophobicContact CG-CG2 3.9Å; W303-V339 HydrophobicContact CB-CG2 3.96Å; W303-V339 HydrophobicContact CD2-CG2 4.32Å; W303-V339 HydrophobicContact CG-CG2 4.03Å; R322-V339 HydrophobicContact CB-CG1 3.96Å; P324-V339 HydrophobicContact CB-CG2 4.19Å
340	R	95.4	Very high	91.4	Very high	65 Å²	65	75.3 Å²	75.3	25%	0.245	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.5	178.1	-60.7	-62.1	176.7	-113.8	2.7	110.2	R322 Y323 G333 H336 P337	R322-R340 WeakPolarHBondContact CA-O 3.44Å; R322-R340 VanDerWaalsContact CB-O 3.3Å; R322-R340 WeakPolarHBondContact CB-O 3.48Å; Y323-R340 HydrophobicContact CD1-CB 3.95Å; Y323-R340 HydrophobicContact CD2-CB 4.24Å; Y323-R340 HydrophobicContact CD2-CG 4.34Å; Y323-R340 HydrophobicContact CE1-CB 3.49Å; Y323-R340 VanDerWaalsContact CE1-CB 3.49Å; Y323-R340 HydrophobicContact CE1-CG 4.23Å; Y323-R340 HydrophobicContact CE2-CB 3.82Å; Y323-R340 HydrophobicContact CE2-CG 3.68Å; Y323-R340 HydrophobicContact CG-CB 4.29Å; Y323-R340 VanDerWaalsContact CZ-CB 3.42Å; Y323-R340 PolarHBondContact N-O 2.73Å; Y323-R340 VanDerWaalsContact N-O 3.16Å; Y323-R340 PolarHBondContact O-N 2.94Å; G333-R340 VanDerWaalsContact O-CZ 3.25Å; G333-R340 PolarHBondContact O-NE 2.72Å; G333-R340 PolarHBondContact O-NH2 2.91Å; H336-R340 PolarHBondContact O-NH2 2.91Å; P337-R340 PolarHBondContact O-NH1 2.88Å; P337-R340 PolarHBondContact O-NH2 3.46Å
341	H	95.1	Very high	92.1	Very high	40 Å²	40	73.7 Å²	73.7	19%	0.185	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122	178.8	-178.4	-138.4	0	0	0	110	Y171 S320 G343 F344	Y171-H341 AromaticContact CE1-CE1 3.86Å; Y171-H341 AromaticContact CE1-ND1 3.66Å; Y171-H341 AromaticContact CE2-CE1 3.73Å; Y171-H341 AromaticContact CZ-CE1 3.26Å; Y171-H341 AromaticContact CZ-ND1 3.39Å; Y171-H341 PolarHBondContact OH-CE1 2.79Å; Y171-H341 PolarHBondContact OH-ND1 3.28Å; S320-H341 WeakPolarHBondContact CB-NE2 3.34Å; H341-G343 PolarHBondContact CD2-N 2.99Å; H341-G343 WeakPolarHBondContact NE2-CA 3.3Å; H341-G343 PolarHBondContact NE2-N 3.2Å; H341-F344 AromaticContact CE1-CE2 3.82Å; H341-F344 AromaticContact NE2-CE2 3.83Å
342	L	95.5	Very high	92.7	Very high	92 Å²	92	64.6 Å²	64.6	48%	0.482	33%	0.333	S	S	.	.			trans	-102.2	11.7	179	-58	-173.8	0	0	0	112.8	A313 I321 Y323	A313-L342 HydrophobicContact CB-CD1 3.79Å; I321-L342 HydrophobicContact CB-CB 4.15Å; I321-L342 HydrophobicContact CG2-CB 4.03Å; I321-L342 HydrophobicContact CG2-CD1 3.96Å; I321-L342 HydrophobicContact CG2-CG 4.32Å; I321-L342 PolarHBondContact O-N 3.01Å; Y323-L342 HydrophobicContact CD1-CD1 4.35Å; Y323-L342 HydrophobicContact CD1-CG 4.47Å; Y323-L342 HydrophobicContact CE1-CD1 4.02Å; Y323-L342 HydrophobicContact CE1-CD2 4.08Å; Y323-L342 HydrophobicContact CE1-CG 4.04Å
343	G	96.4	Very high	93.4	Very high	16 Å²	16	64.6 Å²	64.6	17%	0.165	33%	0.334	C	S	.	.			trans	85.1	-161.9	179.6	0	0	0	0	0	114	S320 I321 H341 P345	S320-G343 WeakPolarHBondContact CA-O 3.31Å; I321-G343 PolarHBondContact N-O 2.73Å; H341-G343 PolarHBondContact CD2-N 2.99Å; H341-G343 WeakPolarHBondContact NE2-CA 3.3Å; H341-G343 PolarHBondContact NE2-N 3.2Å; G343-P345 WeakPolarHBondContact O-CD 3.38Å
344	F	97.6	Very high	94.7	Very high	41 Å²	41	64.1 Å²	64.1	18%	0.18	33%	0.329	C	S	.	.			trans	-115.1	81	-174.9	-65.5	-91	0	0	0	110.9	Y171 R173 D318 H341	Y171-F344 HydrophobicContact CD2-CE2 4.21Å; Y171-F344 HydrophobicContact CE2-CD2 4.48Å; Y171-F344 AromaticContact CE2-CE2 3.97Å; Y171-F344 HydrophobicContact CE2-CE2 3.97Å; R173-F344 HydrophobicContact CB-CB 4.39Å; R173-F344 HydrophobicContact CB-CD1 3.67Å; R173-F344 HydrophobicContact CB-CD2 4.33Å; R173-F344 HydrophobicContact CB-CE1 3.91Å; R173-F344 HydrophobicContact CB-CG 3.89Å; R173-F344 HydrophobicContact CB-CZ 4.34Å; R173-F344 HydrophobicContact CG-CB 3.81Å; R173-F344 HydrophobicContact CG-CD1 3.94Å; R173-F344 HydrophobicContact CG-CG 3.87Å; D318-F344 HydrophobicContact CB-CE1 4.49Å; H341-F344 AromaticContact CE1-CE2 3.82Å; H341-F344 AromaticContact NE2-CE2 3.83Å
345	P	97.1	Very high	95.5	Very high	23 Å²	23	62 Å²	62	15%	0.149	31%	0.308	C	S	.	.			trans	-67.8	167	178.8	21.7	-25.6	0	0	0	112.9	W315 I321 G343 K347 R350 Y352	W315-P345 HydrophobicContact CH2-CB 4.44Å; W315-P345 HydrophobicContact CH2-CG 3.79Å; W315-P345 HydrophobicContact CZ3-CG 4.02Å; I321-P345 HydrophobicContact CB-CG 4.4Å; I321-P345 HydrophobicContact CD1-CG 4.25Å; I321-P345 HydrophobicContact CG1-CG 3.32Å; G343-P345 WeakPolarHBondContact O-CD 3.38Å; P345-K347 PolarHBondContact O-N 2.97Å; P345-R350 HydrophobicContact CB-CB 4.02Å; P345-R350 HydrophobicContact CB-CG 3.8Å; P345-Y352 HydrophobicContact CB-CE2 4.23Å; P345-Y352 HydrophobicContact CG-CD2 4.47Å; P345-Y352 HydrophobicContact CG-CE2 3.72Å
346	D	96.7	Very high	96.2	Very high	74 Å²	74	57.6 Å²	57.6	40%	0.396	28%	0.277	S	S	.	.			trans	-58.6	119.5	173.4	-173.8	-70.1	0	0	0	111.4	K348 F349 R350	D346-K348 PolarHBondContact O-N 3.25Å; D346-K348 WeakPolarHBondContact OD1-CA 3.21Å; D346-K348 VanDerWaalsContact OD1-CB 3.31Å; D346-K348 WeakPolarHBondContact OD1-CB 3.41Å; D346-K348 PolarHBondContact OD1-N 2.92Å; D346-F349 HydrophobicContact CB-CD2 4.46Å; D346-F349 WeakPolarHBondContact OD1-CD2 3.22Å; D346-F349 PolarHBondContact OD1-N 3.08Å; D346-R350 HydrophobicContact CB-CG 4.49Å; D346-R350 WeakPolarHBondContact O-CB 3.26Å; D346-R350 PolarHBondContact O-N 3.25Å
347	K	96.4	Very high	96.7	Very high	61 Å²	61	53.2 Å²	53.2	27%	0.265	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.3	-175.3	-74.8	-173.7	173.3	-170.3	0	114	Y279 W315 P345	Y279-K347 HydrophobicContact CD1-CB 4.48Å; Y279-K347 HydrophobicContact CD1-CD 3.71Å; Y279-K347 HydrophobicContact CD1-CG 4.24Å; Y279-K347 HydrophobicContact CD2-CD 4.46Å; Y279-K347 HydrophobicContact CE1-CD 4.09Å; Y279-K347 HydrophobicContact CG-CB 4.33Å; Y279-K347 HydrophobicContact CG-CD 3.9Å; Y279-K347 HydrophobicContact CG-CG 3.99Å; Y279-K347 PolarHBondContact N-O 2.99Å; Y279-K347 VanDerWaalsContact N-O 3.15Å; W315-K347 HydrophobicContact CH2-CG 4.43Å; W315-K347 HydrophobicContact CZ3-CG 4.32Å; P345-K347 PolarHBondContact O-N 2.97Å
348	K	95.8	Very high	96.9	Very high	149 Å²	149	55 Å²	55	65%	0.648	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-42.2	-175.5	-173.9	176.1	178.4	-179.1	0	111.7	D346	D346-K348 PolarHBondContact O-N 3.25Å; D346-K348 WeakPolarHBondContact OD1-CA 3.21Å; D346-K348 VanDerWaalsContact OD1-CB 3.31Å; D346-K348 WeakPolarHBondContact OD1-CB 3.41Å; D346-K348 PolarHBondContact OD1-N 2.92Å
349	F	94.5	Very high	96.9	Very high	146 Å²	146	60.3 Å²	60.3	64%	0.64	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-24.5	-168.5	-58.3	-65.8	0	0	0	114.6	D346	D346-F349 HydrophobicContact CB-CD2 4.46Å; D346-F349 WeakPolarHBondContact OD1-CD2 3.22Å; D346-F349 PolarHBondContact OD1-N 3.08Å
350	R	97.4	Very high	96.6	Very high	150 Å²	150	65.6 Å²	65.6	57%	0.566	30%	0.296	S	S	*	.			trans	-88.5	141.4	-177.8	-62	-65.2	-168.6	167.7	1	111.3	N278 W315 P345 D346 Y352	N278-R350 WeakPolarHBondContact CA-O 2.93Å; W315-R350 HydrophobicContact CZ2-CB 4.48Å; P345-R350 HydrophobicContact CB-CB 4.02Å; P345-R350 HydrophobicContact CB-CG 3.8Å; D346-R350 HydrophobicContact CB-CG 4.49Å; D346-R350 WeakPolarHBondContact O-CB 3.26Å; D346-R350 PolarHBondContact O-N 3.25Å; R350-Y352 HydrophobicContact CB-CD2 4.27Å; R350-Y352 HydrophobicContact CB-CE2 3.7Å
351	L	97.7	Very high	95.9	Very high	91 Å²	91	70.2 Å²	70.2	48%	0.476	32%	0.323	S	S	.	.			trans	-117	124.4	-175.9	-55.8	179	0	0	0	110.5	K276 V277 N278	K276-L351 HydrophobicContact CB-CB 3.82Å; V277-L351 WeakPolarHBondContact O-CA 3.48Å; N278-L351 HydrophobicContact CB-CD2 4.02Å
352	Y	97.9	Very high	94.3	Very high	51 Å²	51	74.6 Å²	74.6	20%	0.2	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-138.2	177.1	178	-67.4	-82.9	0	0	0	111	K276 V277 A313 W315 I321 P345 R350	K276-Y352 WeakPolarHBondContact CA-O 3.19Å; V277-Y352 PolarHBondContact N-O 3.39Å; V277-Y352 PolarHBondContact O-N 3.01Å; A313-Y352 HydrophobicContact CB-CD1 3.81Å; A313-Y352 HydrophobicContact CB-CE1 4.17Å; W315-Y352 AromaticContact CE2-CD2 3.99Å; W315-Y352 HydrophobicContact CH2-CD2 4.49Å; W315-Y352 AromaticContact CZ2-CD2 3.88Å; W315-Y352 HydrophobicContact CZ2-CD2 3.88Å; I321-Y352 HydrophobicContact CD1-CD1 4.29Å; I321-Y352 HydrophobicContact CD1-CD2 3.39Å; I321-Y352 HydrophobicContact CD1-CE2 3.97Å; I321-Y352 HydrophobicContact CD1-CG 3.57Å; I321-Y352 HydrophobicContact CG1-CD1 4.43Å; I321-Y352 HydrophobicContact CG1-CD2 3.72Å; I321-Y352 HydrophobicContact CG1-CE1 4.47Å; I321-Y352 HydrophobicContact CG1-CE2 3.74Å; I321-Y352 HydrophobicContact CG1-CG 4.07Å; I321-Y352 HydrophobicContact CG2-CD1 3.9Å; I321-Y352 HydrophobicContact CG2-CE1 3.97Å; I321-Y352 HydrophobicContact CG2-CG 4.26Å; P345-Y352 HydrophobicContact CB-CE2 4.23Å; P345-Y352 HydrophobicContact CG-CD2 4.47Å; P345-Y352 HydrophobicContact CG-CE2 3.72Å; R350-Y352 HydrophobicContact CB-CD2 4.27Å; R350-Y352 HydrophobicContact CB-CE2 3.7Å
353	G	98.1	Very high	92.1	Very high	8 Å²	8	79.4 Å²	79.4	8%	0.082	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-170	163.4	0	0	0	0	0	112.1	A313 G314 W315	A313-G353 PolarHBondContact O-N 3.46Å; A313-G353 VanDerWaalsContact O-N 3.11Å; G314-G353 CarbonylContact C-O 3.39Å; G314-G353 VanDerWaalsContact CA-O 3.23Å; G314-G353 WeakPolarHBondContact CA-O 3.27Å; W315-G353 VanDerWaalsContact CD1-O 3.23Å; W315-G353 PolarHBondContact N-O 2.84Å
354	V	98.6	Very high	89.7	Confident	1 Å²	1	84.5 Å²	84.5	1%	0.006	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	137	173.3	62.1	0	0	0	0	110	L271 A282 C286 V293 W315	L271-V354 HydrophobicContact CB-CG1 3.76Å; L271-V354 HydrophobicContact CD2-CG1 4.01Å; L271-V354 HydrophobicContact CG-CG1 4.47Å; L271-V354 PolarHBondContact N-O 2.71Å; A282-V354 HydrophobicContact CB-CB 3.82Å; A282-V354 HydrophobicContact CB-CG1 4.43Å; A282-V354 HydrophobicContact CB-CG2 3.76Å; C286-V354 VanDerWaalsContact SG-CG2 3.55Å; V293-V354 HydrophobicContact CG1-CG2 4.01Å; V293-V354 HydrophobicContact CG2-CG2 4.25Å; W315-V354 HydrophobicContact CB-CG2 4.32Å
355	Y	98.8	Very high	87.1	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.8	167.1	-68.3	-89.2	0	0	0	108.1	V268 Y269 F270 A294 L299 L308 R310 E312 W315 L316 R322 P324	V268-Y355 HydrophobicContact CG1-CD1 4.22Å; Y269-Y355 CarbonylContact O-C 3.56Å; Y269-Y355 WeakPolarHBondContact O-CA 3.3Å; F270-Y355 HydrophobicContact CB-CD1 4.17Å; F270-Y355 HydrophobicContact CB-CE1 3.94Å; F270-Y355 HydrophobicContact CD2-CD1 4.15Å; F270-Y355 HydrophobicContact CD2-CD2 4.22Å; F270-Y355 AromaticContact CD2-CE1 3.78Å; F270-Y355 HydrophobicContact CD2-CE1 3.78Å; F270-Y355 AromaticContact CD2-CE2 3.81Å; F270-Y355 HydrophobicContact CD2-CE2 3.81Å; F270-Y355 HydrophobicContact CD2-CG 4.36Å; F270-Y355 AromaticContact CD2-CZ 3.57Å; F270-Y355 HydrophobicContact CE2-CE2 4.2Å; F270-Y355 HydrophobicContact CG-CE1 4.36Å; A294-Y355 PolarHBondContact N-O 2.84Å; L299-Y355 HydrophobicContact CD1-CD1 3.8Å; L299-Y355 HydrophobicContact CD1-CE1 4.09Å; L299-Y355 HydrophobicContact CD1-CG 4.03Å; L308-Y355 HydrophobicContact CD2-CD1 4.23Å; L308-Y355 HydrophobicContact CD2-CE1 4.23Å; R310-Y355 HydrophobicContact CB-CE1 4.32Å; R310-Y355 WeakPolarHBondContact CB-OH 3.48Å; R310-Y355 HydrophobicContact CG-CE1 4.43Å; R310-Y355 WeakPolarHBondContact CG-OH 3.48Å; E312-Y355 PolarHBondContact O-OH 2.87Å; W315-Y355 PolarHBondContact O-N 3.46Å; L316-Y355 HydrophobicContact CD2-CD2 4.31Å; L316-Y355 HydrophobicContact CD2-CG 4.39Å; R322-Y355 VanDerWaalsContact O-CE2 3.31Å; R322-Y355 WeakPolarHBondContact O-CE2 3.48Å; P324-Y355 VanDerWaalsContact CD-OH 3.24Å; P324-Y355 WeakPolarHBondContact CD-OH 3.39Å; P324-Y355 HydrophobicContact CG-CE1 4.28Å
356	C	98.6	Very high	84.3	Confident	0 Å²	0	89.8 Å²	89.8	0%	0	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	152.1	175.3	-53.5	0	0	0	0	109.9	V268 Y269 C286 S291 A292	V268-C356 WeakPolarHBondContact CA-O 3.43Å; Y269-C356 HydrophobicContact CE1-CB 4.16Å; Y269-C356 HydrophobicContact CE2-CB 4.09Å; Y269-C356 PolarHBondContact N-O 2.89Å; Y269-C356 PolarHBondContact O-N 2.73Å; C286-C356 VanDerWaalsContact CA-SG 3.51Å; C286-C356 HydrophobicContact CB-CB 3.81Å; C286-C356 WeakPolarHBondContact CB-SG 3.14Å; C286-C356 WeakPolarHBondContact SG-CB 3.37Å; C286-C356 CovalentContact SG-SG 2.04Å; C286-C356 PolarHBondContact SG-SG 2.9Å; S291-C356 WeakPolarHBondContact OG-CB 3.29Å; A292-C356 CarbonylContact O-C 3.55Å; A292-C356 WeakPolarHBondContact O-CA 3.46Å; A292-C356 WeakPolarHBondContact O-CB 3.27Å
357	F	98.6	Very high	81.2	Confident	23 Å²	23	89.1 Å²	89.1	10%	0.101	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.8	174.7	174.3	-106	0	0	0	109.8	L264 K267 V268 S291 A292 A294 Q298 E359	L264-F357 HydrophobicContact CB-CE2 4.21Å; L264-F357 HydrophobicContact CD1-CD2 4.29Å; L264-F357 HydrophobicContact CD1-CE2 3.94Å; K267-F357 WeakPolarHBondContact O-CA 3.37Å; V268-F357 HydrophobicContact CG2-CB 4.37Å; V268-F357 HydrophobicContact CG2-CD2 3.79Å; S291-F357 VanDerWaalsContact CB-O 3.25Å; S291-F357 WeakPolarHBondContact CB-O 3.47Å; A292-F357 PolarHBondContact N-O 3.21Å; A292-F357 PolarHBondContact O-N 2.82Å; A294-F357 HydrophobicContact CB-CB 4.05Å; Q298-F357 HydrophobicContact CG-CD2 4.43Å; Q298-F357 VanDerWaalsContact OE1-CB 3.31Å; F357-E359 HydrophobicContact CE1-CB 3.98Å; F357-E359 HydrophobicContact CZ-CB 4.33Å
358	R	97.4	Very high	78.5	Confident	105 Å²	105	92.9 Å²	92.9	40%	0.396	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.1	172.7	-176	176.6	-66	144.9	2.1	108.6	G266 K267 Y269 D289	G266-R358 CarbonylContact C-O 3.44Å; G266-R358 WeakPolarHBondContact CA-O 3.43Å; K267-R358 PolarHBondContact N-O 2.89Å; K267-R358 PolarHBondContact O-N 2.75Å; Y269-R358 HydrophobicContact CE1-CB 4.01Å; Y269-R358 PolarHBondContact OH-NH2 2.93Å; Y269-R358 VanDerWaalsContact OH-NH2 3.12Å; D289-R358 PolarHBondContact O-NH2 2.97Å; D289-R358 IonicContact OD1-NH2 2.71Å; D289-R358 IonicContact OD2-NH2 3.77Å; D289-R358 PolarHBondContact OD2-NH2 2.93Å
359	E	94.4	Very high	75.5	Confident	119 Å²	119	95.1 Å²	95.1	56%	0.556	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	144.8	174	-170.4	165.7	-152.7	0	0	110.3	N265 F357	N265-E359 WeakPolarHBondContact O-CA 3.1Å; N265-E359 WeakPolarHBondContact O-CG 3.29Å; F357-E359 HydrophobicContact CE1-CB 3.98Å; F357-E359 HydrophobicContact CZ-CB 4.33Å
360	Y	91.6	Very high	72.6	Confident	123 Å²	123	94.2 Å²	94.2	48%	0.482	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-85.8	121.6	169.9	-60.8	-47.7	0	0	0	108.7	N265 G266	N265-Y360 PolarHBondContact ND2-O 3.03Å; N265-Y360 VanDerWaalsContact ND2-O 3.16Å; N265-Y360 PolarHBondContact O-N 3.05Å; N265-Y360 VanDerWaalsContact O-N 3.09Å; G266-Y360 VanDerWaalsContact CA-CD2 3.43Å
361	M	79.9	Confident	69.7	Low	162 Å²	162	93.4 Å²	93.4	80%	0.798	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-76.6	126.6	171.4	-68	-80.2	179.3	0	0	108	E363	M361-E363 PolarHBondContact O-N 3.19Å
362	D	61.3	Low	66.5	Low	131 Å²	131	98.5 Å²	98.5	70%	0.701	54%	0.542	S	S	*	.			trans	-74.9	109.3	178.4	-139.8	-1.4	0	0	0	109	T364	D362-T364 PolarHBondContact O-N 3.03Å; D362-T364 VanDerWaalsContact O-N 3.16Å
363	E	49.7	Very low	63.5	Low	194 Å²	194	101.6 Å²	101.6	91%	0.907	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	3	-174.1	-71.8	-173.8	160.5	0	0	113.9	M361	M361-E363 PolarHBondContact O-N 3.19Å
364	T	45.3	Very low	61	Low	122 Å²	122	108.7 Å²	108.7	75%	0.748	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-1.8	-176.2	41.3	0	0	0	0	115.2	D362 G366	D362-T364 PolarHBondContact O-N 3.03Å; D362-T364 VanDerWaalsContact O-N 3.16Å; T364-G366 VanDerWaalsContact C-N 3.32Å; T364-G366 PolarHBondContact O-N 3.05Å; T364-G366 VanDerWaalsContact O-N 3.14Å
365	A	42.4	Very low	57.9	Low	92 Å²	92	116.6 Å²	116.6	76%	0.76	64%	0.637	S	S	*	*			trans	-87.5	71.5	168.2	0	0	0	0	0	110.8	G367	A365-G367 PolarHBondContact O-N 2.72Å; A365-G367 VanDerWaalsContact O-N 3.08Å
366	G	38.4	Very low	54.9	Low	83 Å²	83	124.8 Å²	124.8	86%	0.856	68%	0.676	S	S	*	*			trans	-57.1	109.9	172.5	0	0	0	0	0	111.7	T364	T364-G366 VanDerWaalsContact C-N 3.32Å; T364-G366 PolarHBondContact O-N 3.05Å; T364-G366 VanDerWaalsContact O-N 3.14Å
367	G	33.4	Very low	51.9	Low	60 Å²	60	128.4 Å²	128.4	62%	0.619	70%	0.701	S	S	*	*	S	Bend	trans	169.1	88.3	175.9	0	0	0	0	0	110.8	A365 K369	A365-G367 PolarHBondContact O-N 2.72Å; A365-G367 VanDerWaalsContact O-N 3.08Å; G367-K369 PolarHBondContact O-N 3.2Å
368	T	39	Very low	49.1	Very low	140 Å²	140	132.5 Å²	132.5	86%	0.859	72%	0.723	S	S	*	*			trans	-28.9	101	178.9	-41.5	0	0	0	0	114	V370	T368-V370 HydrophobicContact CG2-CG2 4.45Å
369	K	33.3	Very low	46.3	Very low	196 Å²	196	133.4 Å²	133.4	85%	0.852	74%	0.735	S	S	*	*			trans	-112.2	100.5	156.7	-79.8	-170.6	179	177.1	0	108.3	G367 T371	G367-K369 PolarHBondContact O-N 3.2Å; K369-T371 PolarHBondContact O-N 3.07Å; K369-T371 VanDerWaalsContact O-N 3.11Å
370	V	32.4	Very low	43.5	Very low	128 Å²	128	136.5 Å²	136.5	78%	0.776	75%	0.747	S	S	*	*			trans	-50.6	117	163.4	175.3	0	0	0	0	107.8	T368 K372	T368-V370 HydrophobicContact CG2-CG2 4.45Å; V370-K372 PolarHBondContact O-N 3.05Å
371	T	36.3	Very low	40.8	Very low	133 Å²	133	139.7 Å²	139.7	82%	0.816	76%	0.758	S	S	*	*			trans	-57.5	112.5	176.5	23	0	0	0	0	110.1	K369	K369-T371 PolarHBondContact O-N 3.07Å; K369-T371 VanDerWaalsContact O-N 3.11Å
372	K	31.6	Very low	38.8	Very low	198 Å²	198	140.7 Å²	140.7	86%	0.861	76%	0.758	S	S	*	*			trans	-85.4	133.6	157.7	-83.6	-175	178.1	178.7	0	108.5	V370	V370-K372 PolarHBondContact O-N 3.05Å
373	P	34.3	Very low	37.6	Very low	115 Å²	115	139 Å²	139	75%	0.747	76%	0.756	S	S	*	*			trans	-66.2	145.1	-177.8	-14.7	27.9	0	0	0	111.9	K375	P373-K375 PolarHBondContact O-N 2.92Å
374	L	44.8	Very low	37.2	Very low	157 Å²	157	133.8 Å²	133.8	82%	0.822	74%	0.741	S	S	*	*	S	Bend	trans	-55.8	67.1	171	-114.1	131.8	0	0	0	112.8
375	K	35.4	Very low	36.9	Very low	168 Å²	168	134.4 Å²	134.4	73%	0.73	74%	0.74	S	S	*	*			trans	-104	-10.8	177	-106	-177.1	177.4	-179.2	0	114.2	P373	P373-K375 PolarHBondContact O-N 2.92Å
376	E	34.7	Very low	36.6	Very low	171 Å²	171	135 Å²	135	80%	0.799	74%	0.739	S	S	*	*	S	Bend	trans	-89.3	-19.6	-174	-79.1	173.6	163.8	0	0	114.8	L378 I379	E376-L378 VanDerWaalsContact C-N 3.3Å; E376-L378 PolarHBondContact O-N 2.95Å; E376-I379 PolarHBondContact O-N 3.24Å
377	S	35	Very low	36.6	Very low	77 Å²	77	138.7 Å²	138.7	54%	0.538	74%	0.737	S	S	.	*	H	α-helix	trans	-75.7	-15.4	178.3	54	0	0	0	0	114.2
378	L	40	Very low	36.6	Very low	108 Å²	108	141.6 Å²	141.6	57%	0.565	75%	0.745	S	S	*	*	H	α-helix	trans	-83.6	-14.7	177.4	-86.2	150.8	0	0	0	113.8	E376	E376-L378 VanDerWaalsContact C-N 3.3Å; E376-L378 PolarHBondContact O-N 2.95Å
379	I	38.2	Very low	36.4	Very low	124 Å²	124	139.6 Å²	139.6	64%	0.636	74%	0.743	S	S	*	*	H	α-helix	trans	-84.1	-35.6	-177.7	-58.7	176.3	0	0	0	110.6	E376 W381 K382	E376-I379 PolarHBondContact O-N 3.24Å; I379-W381 VanDerWaalsContact C-N 3.34Å; I379-W381 PolarHBondContact O-N 2.87Å; I379-K382 PolarHBondContact O-N 2.78Å
380	K	37.3	Very low	36.3	Very low	185 Å²	185	138 Å²	138	80%	0.804	74%	0.743	S	S	*	*	H	α-helix	trans	-67	-29.6	175.9	-91.6	-176	174.6	-178.9	0	113.8
381	W	34.5	Very low	36.6	Very low	189 Å²	189	136.7 Å²	136.7	72%	0.716	75%	0.746	S	S	*	*	H	α-helix	trans	-73.7	-27	178.2	-167.5	6.6	0	0	0	113	I379 S383 S384	I379-W381 VanDerWaalsContact C-N 3.34Å; I379-W381 PolarHBondContact O-N 2.87Å; W381-S383 VanDerWaalsContact C-N 3.32Å; W381-S383 PolarHBondContact O-N 3.1Å; W381-S384 PolarHBondContact O-OG 3.07Å
382	K	36.7	Very low	36.6	Very low	183 Å²	183	135.8 Å²	135.8	80%	0.796	74%	0.741	S	S	*	*	H	α-helix	trans	-75.7	-19.7	178.2	-76	-172.7	175.4	-175.5	0	113.7	I379	I379-K382 PolarHBondContact O-N 2.78Å
383	S	37.4	Very low	36.7	Very low	97 Å²	97	133.8 Å²	133.8	68%	0.678	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-13.9	-176.1	-165.8	0	0	0	0	114.4	W381	W381-S383 VanDerWaalsContact C-N 3.32Å; W381-S383 PolarHBondContact O-N 3.1Å
384	S	40.9	Very low	36.7	Very low	84 Å²	84	132.8 Å²	132.8	59%	0.587	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	2.3	-175.1	49.2	0	0	0	0	114.8	W381	W381-S384 PolarHBondContact O-OG 3.07Å
385	N	39.8	Very low	36.2	Very low	134 Å²	134	137.1 Å²	137.1	72%	0.717	76%	0.763	S	S	*	*			trans	-121.5	51.5	-178.3	-85.3	-10.4	0	0	0	113.2
386	S	34.8	Very low	36.2	Very low	106 Å²	106	135.6 Å²	135.6	74%	0.741	76%	0.764	S	S	*	*			trans	-109.4	111	163	53.8	0	0	0	0	110.1
387	I	39.3	Very low	36.3	Very low	160 Å²	160	133.7 Å²	133.7	82%	0.821	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-69.9	135	174	-60.2	165.9	0	0	0	108.7	A389	I387-A389 PolarHBondContact O-N 3.14Å
388	P	33.8	Very low	36.4	Very low	120 Å²	120	136.9 Å²	136.9	78%	0.779	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-74.3	126.1	170.5	28.7	-29.7	0	0	0	110.3
389	A	33.7	Very low	36.2	Very low	99 Å²	99	138.6 Å²	138.6	82%	0.818	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-74.9	140.6	173.8	0	0	0	0	0	111	I387	I387-A389 PolarHBondContact O-N 3.14Å
390	N	31.4	Very low	36.1	Very low	161 Å²	161	139.5 Å²	139.5	86%	0.861	80%	0.797	S	S	*	*			trans	-45.7	135	172.8	-86.3	-18.8	0	0	0	113.1
391	A	38.4	Very low	36	Very low	101 Å²	101	136.5 Å²	136.5	84%	0.835	80%	0.796	S	S	*	*			trans	-96.9	114.6	160.5	0	0	0	0	0	109.1
392	T	37.2	Very low	36.1	Very low	115 Å²	115	132.7 Å²	132.7	71%	0.706	80%	0.802	S	S	*	*			trans	-139.1	125.7	158.8	19	0	0	0	0	110.1
393	N	34	Very low	36	Very low	155 Å²	155	128.8 Å²	128.8	83%	0.829	80%	0.802	S	S	*	*			trans	72.9	114	155.2	-57.8	-9.9	0	0	0	119.4
394	A	32.6	Very low	35.9	Very low	95 Å²	95	131.5 Å²	131.5	79%	0.785	81%	0.813	S	S	*	*				160.6	120.2	86.5	0	0	0	0	0	110.5
395	I	35.3	Very low	35.5	Very low	248 Å²	248	135.8 Å²	135.8	100%	1.272	83%	0.833	S	S	*	*				-162.6	0	112.1	-83.2	156.8	0	0	0	106.4

Retrieved 395 of 395 residues in 401.8 ms (Link to these results)

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