A0A087XKA7_POEFO Loading...

Formylglycine-generating enzyme

Oxidase that catalyzes the conversion of cysteine to 3-oxoalanine on target proteins, using molecular oxygen and an unidentified reducing agent. 3-oxoalanine modification, which is also named formylglycine (fGly), occurs in the maturation of arylsulfatases and some alkaline phosphatases that use the hydrated form of 3-oxoalanine as a catalytic nucleophile. Known substrates include GALNS, ARSA, STS and ARSE.

AlphaFold DB , UniProt , Accession A0A087XKA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 355 aa.

Structure Viewer

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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	39.7	Very low	31.5	Very low	249 Å²	249	148.6 Å²	148.6	100%	1.227	79%	0.787	S	S	*	*				0	137.5	0	-91.8	171.6	174.6	0	0	108.5
2	V	31.7	Very low	31.2	Very low	146 Å²	146	145.5 Å²	145.5	89%	0.885	78%	0.778	S	S	*	*			trans	-81.2	120.5	-153.9	174	0	0	0	0	112.8
3	R	29.9	Very low	30.9	Very low	210 Å²	210	146 Å²	146	79%	0.792	78%	0.779	S	S	*	*				24	139.3	129.7	-106.7	175.2	159.1	172.2	-5.9	121.7
4	N	32.1	Very low	30.7	Very low	136 Å²	136	142.9 Å²	142.9	73%	0.727	77%	0.768	S	S	*	*			trans	75.4	137.4	138.7	-81.9	15.3	0	0	0	117.7
5	S	35.8	Very low	30.5	Very low	89 Å²	89	142.8 Å²	142.8	62%	0.622	77%	0.767	S	S	*	*			cis	-166.7	149.5	26.2	-96	0	0	0	0	111.9
6	L	32.9	Very low	30.4	Very low	147 Å²	147	140.8 Å²	140.8	77%	0.77	76%	0.761	S	S	*	*			trans	50.3	136.6	138.8	-83.3	61.6	0	0	0	119.6
7	L	30.2	Very low	30.3	Very low	135 Å²	135	142.1 Å²	142.1	71%	0.707	76%	0.761	S	S	*	*			cis	-169.8	139.1	47.2	-154.3	84.5	0	0	0	112.3
8	L	29.1	Very low	30.1	Very low	145 Å²	145	142.4 Å²	142.4	76%	0.759	76%	0.762	S	S	*	*			trans	46.2	113.6	153.7	-93	79.8	0	0	0	120
9	L	27.3	Very low	29.8	Very low	143 Å²	143	140.2 Å²	140.2	75%	0.749	76%	0.758	S	S	*	*				51.9	113.4	57.3	-120	115.6	0	0	0	113.1	V11	L9-V11 HydrophobicContact CD2-CG2 4.17Å; L9-V11 HydrophobicContact CG-CG2 4.04Å
10	V	30.3	Very low	29.5	Very low	132 Å²	132	140.2 Å²	140.2	80%	0.8	76%	0.756	S	S	*	*				-162.2	106.3	87.7	164.9	0	0	0	0	107
11	V	28	Very low	29.4	Very low	103 Å²	103	141.7 Å²	141.7	62%	0.624	76%	0.758	S	S	*	*				42.8	115.8	78.9	-149.7	0	0	0	0	112.7	L9	L9-V11 HydrophobicContact CD2-CG2 4.17Å; L9-V11 HydrophobicContact CG-CG2 4.04Å
12	V	27.6	Very low	28.8	Very low	111 Å²	111	135.5 Å²	135.5	67%	0.673	74%	0.74	S	S	*	*				171.6	126.5	89.6	156.6	0	0	0	0	109.8
13	L	27.6	Very low	28.5	Very low	152 Å²	152	134 Å²	134	80%	0.796	74%	0.736	S	S	*	*			trans	51.5	153.1	136.9	-59.9	172.3	0	0	0	120.7
14	V	27.8	Very low	28.4	Very low	103 Å²	103	130.2 Å²	130.2	62%	0.624	74%	0.74	S	S	*	*			cis	173.8	160	-24.8	132.1	0	0	0	0	104.1
15	N	28.2	Very low	28.1	Very low	141 Å²	141	127.7 Å²	127.7	75%	0.754	75%	0.746	S	S	*	*			trans	89.4	111.9	169.6	-62.5	-30	0	0	0	116
16	V	28.5	Very low	27.6	Very low	111 Å²	111	126.9 Å²	126.9	67%	0.673	75%	0.752	S	S	*	*			cis	79.3	104.6	48	-175.9	0	0	0	0	112.5
17	E	27.8	Very low	27.2	Very low	163 Å²	163	128.2 Å²	128.2	76%	0.762	75%	0.754	S	S	*	*			trans	85.4	131.2	140.9	-78	174.3	152.8	0	0	124.3
18	L	26.8	Very low	26.9	Very low	148 Å²	148	130.5 Å²	130.5	78%	0.775	76%	0.761	S	S	*	*			trans	60.6	142.7	149.1	-86.2	99.7	0	0	0	118.2
19	C	24.3	Very low	26.7	Very low	100 Å²	100	133 Å²	133	68%	0.676	77%	0.769	S	S	*	*			cis	-170.8	167.6	-7.9	-156.5	0	0	0	0	106.1
20	L	25.3	Very low	26.6	Very low	139 Å²	139	131.2 Å²	131.2	73%	0.728	78%	0.775	S	S	*	*			trans	89.9	108.4	154.2	-70.9	148.8	0	0	0	120.1
21	Q	27.1	Very low	26.3	Very low	172 Å²	172	129.2 Å²	129.2	80%	0.804	77%	0.772	S	S	*	*				108.9	110.8	127.4	-76.5	-178.6	-0.8	0	0	119.6
22	S	26.9	Very low	26.1	Very low	119 Å²	119	129.9 Å²	129.9	83%	0.832	78%	0.782	S	S	*	*			trans	76.4	106.9	133.9	-166.9	0	0	0	0	118.1
23	S	26.2	Very low	26	Very low	116 Å²	116	130.8 Å²	130.8	81%	0.811	79%	0.788	S	S	*	*				-178	153.9	113.1	-164.8	0	0	0	0	110.7
24	C	27.1	Very low	25.9	Very low	129 Å²	129	132.8 Å²	132.8	87%	0.872	79%	0.793	S	S	*	*			trans	-59.8	135	-166.9	-63.7	0	0	0	0	114.1
25	G	25	Very low	25.8	Very low	84 Å²	84	131.6 Å²	131.6	87%	0.866	80%	0.801	S	S	*	*			trans	-76.3	142	175.6	0	0	0	0	0	113.2
26	G	24.8	Very low	26.1	Very low	72 Å²	72	128.9 Å²	128.9	74%	0.742	80%	0.798	S	S	*	*			trans	-123.4	129.2	151.5	0	0	0	0	0	107.6
27	E	25.3	Very low	26.3	Very low	174 Å²	174	126.6 Å²	126.6	81%	0.813	79%	0.791	S	S	*	*			trans	179.6	108.6	154.3	-101.4	169	-172.5	0	0	105.4
28	Q	24.7	Very low	26.8	Very low	183 Å²	183	120.3 Å²	120.3	86%	0.855	77%	0.77	S	S	*	*				70.4	100.3	98.1	-93.9	169.9	-15.7	0	0	113.2
29	E	24.4	Very low	27.7	Very low	199 Å²	199	114 Å²	114	93%	0.93	74%	0.739	S	S	*	*			trans	-127.3	135.2	150.2	-110.5	-179.9	170	0	0	109.4
30	A	24.2	Very low	28.6	Very low	105 Å²	105	109.7 Å²	109.7	87%	0.868	71%	0.71	S	S	*	*			trans	-68.3	126.2	-163.5	0	0	0	0	0	112.9
31	A	25	Very low	29.9	Very low	89 Å²	89	103.4 Å²	103.4	74%	0.736	68%	0.678	S	S	*	*			trans	-87.2	109	166.7	0	0	0	0	0	109.6	T33	A31-T33 PolarHBondContact O-N 3.38Å
32	S	23.6	Very low	30.7	Very low	118 Å²	118	98.3 Å²	98.3	83%	0.825	66%	0.657	S	S	*	*			trans	-69.6	101.1	164.1	52.6	0	0	0	0	109.4	E34	S32-E34 PolarHBondContact O-N 2.82Å
33	T	24.9	Very low	31.4	Very low	130 Å²	130	100.7 Å²	100.7	80%	0.798	65%	0.652	S	S	*	*			trans	-89	92.9	171.9	47.4	0	0	0	0	110.1	A31	A31-T33 PolarHBondContact O-N 3.38Å
34	E	25.4	Very low	32.1	Very low	194 Å²	194	98.6 Å²	98.6	91%	0.907	63%	0.631	S	S	*	*			trans	-84	108	156.7	-76.8	-172.3	163.6	0	0	108.1	S32 A36	S32-E34 PolarHBondContact O-N 2.82Å; E34-A36 PolarHBondContact O-N 3.02Å
35	G	26.4	Very low	32.6	Very low	78 Å²	78	104.6 Å²	104.6	80%	0.804	64%	0.635	S	S	*	*			trans	-72.9	114.2	179.1	0	0	0	0	0	111.2	A37	G35-A37 PolarHBondContact O-N 3.38Å
36	A	33.7	Very low	33.8	Very low	83 Å²	83	102.9 Å²	102.9	69%	0.686	60%	0.603	S	S	*	*			trans	-64.7	116.5	170.1	0	0	0	0	0	110.6	E34 G38	E34-A36 PolarHBondContact O-N 3.02Å; A36-G38 PolarHBondContact O-N 3.22Å
37	A	33.7	Very low	34.2	Very low	63 Å²	63	105.7 Å²	105.7	52%	0.521	61%	0.606	S	S	.	*			trans	-74.3	89.8	169.1	0	0	0	0	0	109.5	G35	G35-A37 PolarHBondContact O-N 3.38Å
38	G	38.2	Very low	34.5	Very low	32 Å²	32	100.7 Å²	100.7	33%	0.33	59%	0.594	S	S	.	*			trans	-77.6	129.1	171.7	0	0	0	0	0	111.3	A36 G40	A36-G38 PolarHBondContact O-N 3.22Å; G38-G40 PolarHBondContact O-N 2.97Å
39	C	46.1	Very low	34.9	Very low	16 Å²	16	97.3 Å²	97.3	11%	0.108	59%	0.591	C	S	.	*			trans	-83.3	9.7	168.2	-176.4	0	0	0	0	112.2	Y324	C39-Y324 WeakPolarHBondContact CA-OH 3.19Å; C39-Y324 HydrophobicContact CB-CE1 3.97Å; C39-Y324 WeakPolarHBondContact CB-OH 3.46Å; C39-Y324 VanDerWaalsContact SG-CE1 3.59Å
40	G	43	Very low	35.1	Very low	8 Å²	8	91.9 Å²	91.9	8%	0.082	59%	0.588	C	S	.	*	S	Bend	trans	-96.9	148.8	-178.8	0	0	0	0	0	112.5	G38 D42	G38-G40 PolarHBondContact O-N 2.97Å; G40-D42 WeakPolarHBondContact CA-OD2 3.28Å; G40-D42 PolarHBondContact O-N 3.46Å
41	C	51.6	Low	35.3	Very low	8 Å²	8	92.4 Å²	92.4	5%	0.054	59%	0.585	C	S	.	*			trans	-84.2	25.8	-178.2	-55.7	0	0	0	0	113.3	K43 F140 V158	C41-K43 VanDerWaalsContact C-N 3.29Å; C41-K43 PolarHBondContact O-N 3.3Å; C41-F140 HydrophobicContact CB-CB 4.46Å; C41-F140 HydrophobicContact CB-CD1 4.13Å; C41-F140 HydrophobicContact CB-CD2 3.19Å; C41-F140 HydrophobicContact CB-CE1 4.17Å; C41-F140 HydrophobicContact CB-CE2 3.21Å; C41-F140 HydrophobicContact CB-CG 3.68Å; C41-F140 HydrophobicContact CB-CZ 3.74Å; C41-F140 WeakPolarHBondContact O-CE2 3.46Å; C41-F140 WeakPolarHBondContact O-CZ 3.38Å; C41-V158 HydrophobicContact CB-CG2 4.22Å
42	D	45.1	Very low	35.4	Very low	65 Å²	65	95.5 Å²	95.5	35%	0.348	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.4	22	-153	-59.8	-58.9	0	0	0	117.2	G40 N336	G40-D42 WeakPolarHBondContact CA-OD2 3.28Å; G40-D42 PolarHBondContact O-N 3.46Å; D42-N336 PolarHBondContact OD1-ND2 2.93Å; D42-N336 PolarHBondContact OD2-ND2 3.49Å
43	K	41.3	Very low	35.7	Very low	168 Å²	168	97 Å²	97	73%	0.73	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.6	18.8	-165.7	-71.6	-165.1	179.3	-179.7	0	119.5	C41	C41-K43 VanDerWaalsContact C-N 3.29Å; C41-K43 PolarHBondContact O-N 3.3Å
44	L	40	Very low	35.8	Very low	72 Å²	72	96.5 Å²	96.5	38%	0.377	60%	0.596	S	S	.	*			trans	-126.4	115.7	170.6	-65.2	171.7	0	0	0	111.3	R46 P166	L44-R46 PolarHBondContact O-N 3.39Å; L44-P166 HydrophobicContact CD1-CG 4.46Å
45	R	37.3	Very low	35.9	Very low	256 Å²	256	97.3 Å²	97.3	97%	0.966	60%	0.596	S	S	*	*			trans	-69.6	118.1	169.2	-83.7	-178.3	171.3	175.8	-3	108.4
46	R	51.3	Low	36	Very low	48 Å²	48	101.2 Å²	101.2	18%	0.181	59%	0.593	C	S	.	*			trans	-94.6	145.7	-175.6	-63.7	175.8	175.4	166.8	-6.7	111.9	L44 F136 D138	L44-R46 PolarHBondContact O-N 3.39Å; R46-F136 HydrophobicContact CB-CD1 3.98Å; R46-F136 HydrophobicContact CB-CE1 4.43Å; R46-F136 HydrophobicContact CB-CG 4.42Å; R46-D138 WeakPolarHBondContact CD-OD1 3.3Å; R46-D138 IonicContact CZ-OD1 3.52Å; R46-D138 IonicContact NE-OD1 3.21Å; R46-D138 PolarHBondContact NE-OD1 2.72Å; R46-D138 IonicContact NH1-OD1 2.72Å; R46-D138 IonicContact NH2-OD1 3.91Å
47	T	33.1	Very low	35.7	Very low	131 Å²	131	107 Å²	107	80%	0.804	61%	0.606	S	S	*	*			trans	-131.7	131.2	175.4	52.8	0	0	0	0	109.5
48	A	32.6	Very low	35.5	Very low	69 Å²	69	115.2 Å²	115.2	57%	0.57	62%	0.623	S	S	*	*			trans	-80.3	145.6	-168.6	0	0	0	0	0	114.8	K135	A48-K135 WeakPolarHBondContact CB-O 3.48Å
49	S	33.2	Very low	35	Very low	112 Å²	112	118 Å²	118	78%	0.783	64%	0.644	S	S	*	*			trans	-166.9	129.9	153.2	63.2	0	0	0	0	114.9
50	G	28.6	Very low	34.4	Very low	85 Å²	85	122.5 Å²	122.5	88%	0.876	68%	0.675	S	S	*	*			trans	84.5	113.5	133.2	0	0	0	0	0	121.4
51	S	28.3	Very low	33.8	Very low	115 Å²	115	127.8 Å²	127.8	80%	0.804	71%	0.711	S	S	*	*			trans	-80.9	150.2	-176.1	54.8	0	0	0	0	117.5
52	V	26.8	Very low	33.1	Very low	154 Å²	154	132.4 Å²	132.4	93%	0.933	74%	0.739	S	S	*	*			trans	-148.1	147.8	150.9	-171.8	0	0	0	0	111.8
53	D	28.5	Very low	32.7	Very low	150 Å²	150	139.4 Å²	139.4	80%	0.802	77%	0.766	S	S	*	*			trans	-103.5	141.4	-165.9	-170	13.5	0	0	0	111.6
54	S	27.9	Very low	32.6	Very low	120 Å²	120	133.9 Å²	133.9	84%	0.839	74%	0.741	S	S	*	*			trans	-168.1	154.7	155.9	59.1	0	0	0	0	115.1
55	K	26.5	Very low	32.8	Very low	211 Å²	211	135.4 Å²	135.4	92%	0.917	75%	0.753	S	S	*	*			trans	-88.7	148.5	-161.1	-67.9	171.8	174.5	175.4	0	115
56	E	29.2	Very low	33	Very low	160 Å²	160	126.4 Å²	126.4	75%	0.748	73%	0.734	S	S	*	*			trans	-88.5	146	178	-98.1	175.7	158.5	0	0	114.7
57	E	27.5	Very low	32.8	Very low	203 Å²	203	127.4 Å²	127.4	95%	0.949	75%	0.752	S	S	*	*			trans	-130	140.1	152.7	-88.6	-171.2	161.6	0	0	110.5
58	R	30.2	Very low	33.4	Very low	236 Å²	236	123.2 Å²	123.2	89%	0.891	73%	0.731	S	S	*	*			trans	-100.2	130.4	-157.3	-176.9	-178.3	-174.7	-178.3	2.3	112.8
59	A	27.8	Very low	34	Very low	92 Å²	92	122.1 Å²	122.1	76%	0.76	72%	0.716	S	S	*	*			trans	-111.6	139.4	164.4	0	0	0	0	0	111.3
60	S	33.8	Very low	34.6	Very low	109 Å²	109	124.5 Å²	124.5	76%	0.762	71%	0.714	S	S	*	*			trans	-99.7	128.9	-173.9	63.6	0	0	0	0	113.1
61	S	30	Very low	35.5	Very low	120 Å²	120	126 Å²	126	84%	0.839	70%	0.697	S	S	*	*			trans	-168.1	69.9	143	49.6	0	0	0	0	110.9	K63	S61-K63 PolarHBondContact O-N 3.19Å
62	V	35.8	Very low	36.6	Very low	105 Å²	105	126.2 Å²	126.2	64%	0.636	69%	0.688	S	S	*	*			trans	-59.8	108.2	173.3	162	0	0	0	0	110.1	Y64	V62-Y64 HydrophobicContact CB-CD2 3.62Å; V62-Y64 HydrophobicContact CB-CE2 4Å; V62-Y64 HydrophobicContact CG1-CD2 3.14Å; V62-Y64 HydrophobicContact CG1-CE2 3.94Å; V62-Y64 HydrophobicContact CG1-CG 3.88Å; V62-Y64 HydrophobicContact CG2-CD2 3.89Å; V62-Y64 HydrophobicContact CG2-CE2 3.79Å
63	K	38.1	Very low	38.2	Very low	211 Å²	211	120.9 Å²	120.9	92%	0.917	66%	0.657	S	S	*	*			trans	-101.6	77.3	155.6	-82.5	-171.4	179.5	178.8	0	108.4	S61	S61-K63 PolarHBondContact O-N 3.19Å
64	Y	39.1	Very low	40.9	Very low	52 Å²	52	118 Å²	118	20%	0.204	64%	0.639	C	S	.	*			trans	-113.9	133.3	176.5	-69.8	-98.7	0	0	0	108.5	V62 T183 L186	V62-Y64 HydrophobicContact CB-CD2 3.62Å; V62-Y64 HydrophobicContact CB-CE2 4Å; V62-Y64 HydrophobicContact CG1-CD2 3.14Å; V62-Y64 HydrophobicContact CG1-CE2 3.94Å; V62-Y64 HydrophobicContact CG1-CG 3.88Å; V62-Y64 HydrophobicContact CG2-CD2 3.89Å; V62-Y64 HydrophobicContact CG2-CE2 3.79Å; Y64-T183 PolarHBondContact OH-O 2.62Å; Y64-L186 HydrophobicContact CE1-CB 4.14Å
65	T	44	Very low	44.1	Very low	104 Å²	104	113.8 Å²	113.8	64%	0.638	61%	0.607	S	S	*	*			trans	-85.9	125.6	166.6	67.6	0	0	0	0	108.7	A67 A68	T65-A67 PolarHBondContact O-N 3.42Å; T65-A68 PolarHBondContact O-N 2.94Å
66	A	41.5	Very low	47.4	Very low	67 Å²	67	105.7 Å²	105.7	55%	0.554	57%	0.574	S	S	*	*	H	α-helix	trans	-56.4	-24.1	-179.4	0	0	0	0	0	113.5	A68 N69 E70	A66-A68 PolarHBondContact O-N 3.08Å; A66-N69 PolarHBondContact O-N 3.12Å; A66-E70 PolarHBondContact O-N 2.93Å; A66-E70 VanDerWaalsContact O-N 3.08Å
67	A	45.8	Very low	50.7	Low	69 Å²	69	102.9 Å²	102.9	57%	0.57	56%	0.56	S	S	*	*	H	α-helix	trans	-67.7	-30.9	179.9	0	0	0	0	0	114.3	T65 N69	T65-A67 PolarHBondContact O-N 3.42Å; A67-N69 VanDerWaalsContact C-N 3.35Å
68	A	46.9	Very low	54.1	Low	43 Å²	43	93.2 Å²	93.2	36%	0.355	52%	0.515	S	S	.	.	H	α-helix	trans	-71.5	-33	175	0	0	0	0	0	111.6	T65 A66	T65-A68 PolarHBondContact O-N 2.94Å; A66-A68 PolarHBondContact O-N 3.08Å
69	N	44.9	Very low	57.3	Low	47 Å²	47	84.6 Å²	84.6	25%	0.251	49%	0.489	S	S	.	.	H	α-helix	trans	-86	-24.1	-176.6	-70.8	-15.8	0	0	0	113.9	A66 A67 K71 Q118	A66-N69 PolarHBondContact O-N 3.12Å; A67-N69 VanDerWaalsContact C-N 3.35Å; N69-K71 VanDerWaalsContact C-N 3.28Å; N69-K71 PolarHBondContact O-N 3.09Å; N69-Q118 PolarHBondContact OD1-OE1 3.45Å
70	E	45	Very low	60.7	Low	162 Å²	162	81.2 Å²	81.2	76%	0.757	46%	0.464	S	S	*	.	S	Bend	trans	-77.9	-7.5	-177.8	-83.9	-172.9	166	0	0	114.5	A66	A66-E70 PolarHBondContact O-N 2.93Å; A66-E70 VanDerWaalsContact O-N 3.08Å
71	K	47.8	Very low	63.7	Low	116 Å²	116	76.7 Å²	76.7	50%	0.504	44%	0.435	S	S	.	.			trans	-121.5	58.5	-168.1	-82.6	178.2	156.5	-150.2	0	112.1	N69 S73 Q74	N69-K71 VanDerWaalsContact C-N 3.28Å; N69-K71 PolarHBondContact O-N 3.09Å; K71-S73 PolarHBondContact O-N 3.47Å; K71-Q74 HydrophobicContact CB-CG 3.76Å; K71-Q74 VanDerWaalsContact CD-CD 3.41Å; K71-Q74 HydrophobicContact CD-CG 4.38Å; K71-Q74 HydrophobicContact CG-CG 4.24Å; K71-Q74 VanDerWaalsContact CG-NE2 3.28Å
72	I	51	Low	67	Low	119 Å²	119	75.8 Å²	75.8	61%	0.61	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	119.8	174.7	-55.1	173.4	0	0	0	108.1	Q119	I72-Q119 HydrophobicContact CG2-CG 4.39Å
73	S	61.2	Low	70	Confident	43 Å²	43	71.8 Å²	71.8	30%	0.301	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	49	177.2	-175.3	0	0	0	0	117.2	K71 M75 K207	K71-S73 PolarHBondContact O-N 3.47Å; S73-M75 PolarHBondContact O-N 3.27Å; S73-K207 WeakPolarHBondContact OG-CE 3.38Å; S73-K207 PolarHBondContact OG-NZ 3.23Å
74	Q	84.9	Confident	72.8	Confident	88 Å²	88	64.4 Å²	64.4	41%	0.411	36%	0.361	S	S	.	.			trans	-77.5	116.3	167.3	-54.6	-143	-45.5	0	0	111.1	K71 V112	K71-Q74 HydrophobicContact CB-CG 3.76Å; K71-Q74 VanDerWaalsContact CD-CD 3.41Å; K71-Q74 HydrophobicContact CD-CG 4.38Å; K71-Q74 HydrophobicContact CG-CG 4.24Å; K71-Q74 VanDerWaalsContact CG-NE2 3.28Å; Q74-V112 HydrophobicContact CB-CG2 4.27Å; Q74-V112 WeakPolarHBondContact O-CB 3.38Å; Q74-V112 WeakPolarHBondContact O-CG2 3.23Å; Q74-V112 PolarHBondContact O-N 2.66Å
75	M	95.3	Very high	75.7	Confident	33 Å²	33	62.2 Å²	62.2	16%	0.163	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	145.9	168.9	-50.7	-171	80.2	0	0	109.8	S73 Y109 M110 D111 K207 S351 Q355	S73-M75 PolarHBondContact O-N 3.27Å; M75-Y109 HydrophobicContact CB-CD1 4.45Å; M75-Y109 VanDerWaalsContact CE-O 3.32Å; M75-Y109 WeakPolarHBondContact CE-O 3.47Å; M75-M110 CarbonylContact C-O 3.2Å; M75-M110 WeakPolarHBondContact CA-O 3.36Å; M75-D111 VanDerWaalsContact CG-OD1 3.24Å; M75-D111 WeakPolarHBondContact CG-OD1 3.48Å; M75-K207 HydrophobicContact CE-CD 4.06Å; M75-K207 HydrophobicContact SD-CD 3.94Å; M75-K207 VanDerWaalsContact SD-CE 3.5Å; M75-K207 HydrophobicContact SD-CG 4.41Å; M75-S351 PolarHBondContact SD-OG 3.48Å; M75-S351 VanDerWaalsContact SD-OG 3.34Å; M75-Q355 HydrophobicContact SD-CB 4.3Å; M75-Q355 HydrophobicContact SD-CG 3.81Å
76	V	96.5	Very high	78.2	Confident	40 Å²	40	57.4 Å²	57.4	24%	0.242	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.8	171.9	65.7	0	0	0	0	109.6	I78 Y109 M110 V112 F273 L275	V76-I78 HydrophobicContact CG1-CD1 3.75Å; V76-I78 PolarHBondContact O-N 2.84Å; V76-Y109 VanDerWaalsContact O-CA 3.3Å; V76-Y109 WeakPolarHBondContact O-CA 3.43Å; V76-M110 PolarHBondContact N-O 3.03Å; V76-M110 PolarHBondContact O-N 3.44Å; V76-V112 HydrophobicContact CB-CG2 4.05Å; V76-V112 HydrophobicContact CG1-CG2 4.22Å; V76-F273 WeakPolarHBondContact CG1-O 3.4Å; V76-F273 WeakPolarHBondContact CG2-O 3.38Å; V76-L275 HydrophobicContact CG1-CD2 3.48Å; V76-L275 VanDerWaalsContact CG1-CD2 3.48Å; V76-L275 HydrophobicContact CG1-CG 4.24Å
77	F	97.8	Very high	80.9	Confident	101 Å²	101	55.1 Å²	55.1	44%	0.443	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	120.4	172.4	178.8	-104.7	0	0	0	109.3	P79 S107 Y109	F77-P79 HydrophobicContact CE1-CB 4.15Å; F77-S107 VanDerWaalsContact CZ-CB 3.49Å; F77-Y109 HydrophobicContact CB-CD1 4.09Å; F77-Y109 HydrophobicContact CB-CE1 3.68Å; F77-Y109 AromaticContact CD2-CE1 3.98Å; F77-Y109 HydrophobicContact CD2-CE1 3.98Å; F77-Y109 AromaticContact CD2-CE2 3.99Å; F77-Y109 HydrophobicContact CD2-CE2 3.99Å; F77-Y109 AromaticContact CD2-CZ 3.67Å; F77-Y109 HydrophobicContact CG-CE1 4.32Å
78	I	98.4	Very high	83.4	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	111	174.5	-56.1	-58.6	0	0	0	107.2	V76 G80 S107 F108 M110 Y217 F273 L275	V76-I78 HydrophobicContact CG1-CD1 3.75Å; V76-I78 PolarHBondContact O-N 2.84Å; I78-G80 PolarHBondContact O-N 3.38Å; I78-S107 WeakPolarHBondContact O-CA 3.11Å; I78-F108 HydrophobicContact CB-CD1 4.09Å; I78-F108 HydrophobicContact CB-CE1 3.83Å; I78-F108 HydrophobicContact CB-CE2 4.28Å; I78-F108 HydrophobicContact CB-CG 4.43Å; I78-F108 HydrophobicContact CB-CZ 3.93Å; I78-F108 HydrophobicContact CG1-CD2 4.5Å; I78-F108 HydrophobicContact CG1-CE1 4.43Å; I78-F108 HydrophobicContact CG1-CE2 4.06Å; I78-F108 HydrophobicContact CG1-CZ 4.02Å; I78-F108 HydrophobicContact CG2-CD1 4.21Å; I78-F108 HydrophobicContact CG2-CE1 3.55Å; I78-F108 HydrophobicContact CG2-CZ 3.78Å; I78-F108 PolarHBondContact N-O 2.92Å; I78-F108 PolarHBondContact O-N 3.27Å; I78-F108 VanDerWaalsContact O-N 3.15Å; I78-M110 HydrophobicContact CD1-CB 4.46Å; I78-M110 HydrophobicContact CG1-CB 3.91Å; I78-Y217 HydrophobicContact CG2-CD1 3.76Å; I78-Y217 HydrophobicContact CG2-CE1 3.56Å; I78-F273 HydrophobicContact CD1-CB 3.84Å; I78-F273 HydrophobicContact CD1-CD2 3.94Å; I78-F273 HydrophobicContact CD1-CG 4.08Å; I78-F273 HydrophobicContact CG2-CD2 4.35Å; I78-F273 HydrophobicContact CG2-CE2 4.18Å; I78-L275 HydrophobicContact CD1-CD1 4.11Å; I78-L275 HydrophobicContact CD1-CG 4.49Å
79	P	97.9	Very high	85.8	Confident	55 Å²	55	61.3 Å²	61.3	36%	0.357	32%	0.32	S	S	.	.			trans	-65.7	132.2	178	28	-33.2	0	0	0	109.2	F77 Y217 F273	F77-P79 HydrophobicContact CE1-CB 4.15Å; P79-Y217 VanDerWaalsContact O-CE1 3.26Å; P79-Y217 WeakPolarHBondContact O-CE1 3.22Å; P79-Y217 PolarHBondContact O-OH 2.9Å; P79-F273 HydrophobicContact CG-CE1 4.29Å
80	G	97.9	Very high	88.3	Confident	22 Å²	22	60.7 Å²	60.7	23%	0.227	32%	0.319	C	S	.	.			trans	-66.3	156	176.5	0	0	0	0	0	112.4	I78 V105 S107	I78-G80 PolarHBondContact O-N 3.38Å; G80-V105 CarbonylContact C-O 3.5Å; G80-V105 WeakPolarHBondContact CA-O 3.32Å; G80-S107 PolarHBondContact N-OG 3.5Å
81	G	98.2	Very high	90.6	Very high	14 Å²	14	54.8 Å²	54.8	14%	0.144	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	177.9	177.8	0	0	0	0	0	113.8	V105	G81-V105 PolarHBondContact N-O 3.16Å; G81-V105 PolarHBondContact O-N 3.13Å
82	E	98.2	Very high	92.9	Very high	101 Å²	101	50.2 Å²	50.2	47%	0.472	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	139.6	174.8	-166.5	-176.1	62.9	0	0	111.1	V103 Y104 H298	E82-V103 CarbonylContact C-O 3.58Å; E82-V103 WeakPolarHBondContact CA-O 3.45Å; E82-Y104 HydrophobicContact CB-CD2 4.25Å; E82-H298 IonicContact OE2-CD2 3.68Å; E82-H298 PolarHBondContact OE2-CD2 3.46Å; E82-H298 VanDerWaalsContact OE2-CD2 3.3Å; E82-H298 IonicContact OE2-NE2 2.87Å; E82-H298 PolarHBondContact OE2-NE2 2.96Å
83	F	98.4	Very high	95.1	Very high	20 Å²	20	49.2 Å²	49.2	9%	0.088	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	169.9	170.2	83.4	-65.8	0	0	0	112.6	M85 V103 V105 A213 E216 Y217	F83-M85 HydrophobicContact CE1-CB 4.29Å; F83-M85 HydrophobicContact CE2-CB 3.72Å; F83-M85 HydrophobicContact CE2-CG 4.09Å; F83-M85 HydrophobicContact CZ-CB 3.59Å; F83-M85 HydrophobicContact CZ-CG 3.84Å; F83-M85 HydrophobicContact CZ-SD 4.41Å; F83-V103 HydrophobicContact CD1-CB 4.1Å; F83-V103 WeakPolarHBondContact CD1-O 3.46Å; F83-V103 HydrophobicContact CE1-CB 3.69Å; F83-V103 HydrophobicContact CE1-CG1 3.86Å; F83-V103 HydrophobicContact CZ-CB 4.49Å; F83-V103 PolarHBondContact N-O 3.01Å; F83-V103 PolarHBondContact O-N 3.21Å; F83-V105 HydrophobicContact CD1-CG2 4.36Å; F83-V105 HydrophobicContact CE1-CG2 3.85Å; F83-A213 WeakPolarHBondContact CZ-O 3.37Å; F83-E216 HydrophobicContact CE2-CB 4.22Å; F83-E216 HydrophobicContact CE2-CG 4.06Å; F83-E216 HydrophobicContact CZ-CB 4.39Å; F83-Y217 HydrophobicContact CB-CD2 3.67Å; F83-Y217 HydrophobicContact CB-CE2 3.98Å; F83-Y217 AromaticContact CD1-CD2 3.52Å; F83-Y217 HydrophobicContact CD1-CD2 3.52Å; F83-Y217 HydrophobicContact CD1-CE2 4.38Å; F83-Y217 HydrophobicContact CD1-CG 4.2Å; F83-Y217 HydrophobicContact CD2-CD2 4.22Å; F83-Y217 HydrophobicContact CE1-CD2 4.16Å; F83-Y217 HydrophobicContact CE1-CG 4.42Å; F83-Y217 AromaticContact CG-CD2 3.55Å; F83-Y217 HydrophobicContact CG-CD2 3.55Å; F83-Y217 HydrophobicContact CG-CE2 4.33Å; F83-Y217 HydrophobicContact CG-CG 4.46Å
84	L	98.4	Very high	96.8	Very high	57 Å²	57	52.7 Å²	52.7	30%	0.298	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	107.1	172.2	-63.6	171.7	0	0	0	108.8	Q100 R101 R102 R220	L84-Q100 HydrophobicContact CB-CG 3.83Å; L84-Q100 HydrophobicContact CD2-CG 4.23Å; L84-Q100 HydrophobicContact CG-CG 4.42Å; L84-R101 WeakPolarHBondContact CA-O 3.48Å; L84-R102 HydrophobicContact CD2-CG 3.8Å; L84-R220 PolarHBondContact O-NE 3.36Å; L84-R220 PolarHBondContact O-NH2 3.42Å
85	M	98.6	Very high	97.4	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.2	173.8	-168.3	-178	-176.4	0	0	109.9	F83 Q100 R101 V103 E212 A213 E216	F83-M85 HydrophobicContact CE1-CB 4.29Å; F83-M85 HydrophobicContact CE2-CB 3.72Å; F83-M85 HydrophobicContact CE2-CG 4.09Å; F83-M85 HydrophobicContact CZ-CB 3.59Å; F83-M85 HydrophobicContact CZ-CG 3.84Å; F83-M85 HydrophobicContact CZ-SD 4.41Å; M85-Q100 WeakPolarHBondContact O-CA 3.35Å; M85-R101 HydrophobicContact CB-CG 4.19Å; M85-R101 PolarHBondContact N-O 3.31Å; M85-R101 PolarHBondContact O-N 3.38Å; M85-R101 PolarHBondContact SD-NH2 3.08Å; M85-V103 HydrophobicContact CB-CB 4.41Å; M85-V103 HydrophobicContact CB-CG2 3.81Å; M85-V103 HydrophobicContact SD-CG2 4.17Å; M85-E212 HydrophobicContact CE-CB 4.02Å; M85-E212 HydrophobicContact CE-CG 3.58Å; M85-A213 HydrophobicContact CE-CB 4.17Å; M85-A213 HydrophobicContact SD-CB 3.87Å; M85-E216 WeakPolarHBondContact CA-OE1 3.33Å
86	G	98.3	Very high	97.6	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.021	27%	0.274	C	S	.	.	S	Bend	trans	72.6	-161.3	-175.2	0	0	0	0	0	113.3	E97 E216 R220	G86-E97 CarbonylContact C-O 3.58Å; G86-E97 WeakPolarHBondContact CA-O 3.37Å; G86-E216 PolarHBondContact N-OE1 3.14Å; G86-R220 PolarHBondContact O-NH2 2.81Å
87	T	98.3	Very high	97.7	Very high	19 Å²	19	45.8 Å²	45.8	12%	0.117	26%	0.262	C	S	.	.			trans	-155.3	145.8	-179.3	178.9	0	0	0	0	110.9	D89 E97 A98 A331	T87-D89 VanDerWaalsContact C-N 3.3Å; T87-D89 WeakPolarHBondContact CG2-O 3.33Å; T87-D89 PolarHBondContact OG1-N 3.27Å; T87-D89 PolarHBondContact OG1-O 3.47Å; T87-E97 HydrophobicContact CG2-CB 3.99Å; T87-E97 PolarHBondContact N-O 3.11Å; T87-A98 WeakPolarHBondContact O-CA 3.16Å; T87-A98 VanDerWaalsContact O-CB 3.26Å; T87-A98 WeakPolarHBondContact O-CB 3.22Å; T87-A331 HydrophobicContact CG2-CB 4.07Å
88	D	97.9	Very high	97.7	Very high	109 Å²	109	42.6 Å²	42.6	58%	0.583	25%	0.254	S	S	*	.	S	Bend	trans	-85.8	-6.3	170.4	-70.9	-26.8	0	0	0	112.4	P90 Q100	D88-P90 VanDerWaalsContact C-CD 3.42Å; D88-P90 VanDerWaalsContact O-CD 3.26Å; D88-P90 WeakPolarHBondContact O-CD 3.34Å; D88-Q100 HydrophobicContact CB-CB 4.44Å; D88-Q100 WeakPolarHBondContact OD1-CB 3.48Å; D88-Q100 PolarHBondContact OD1-N 3.04Å
89	D	97.1	Very high	97.6	Very high	133 Å²	133	44.2 Å²	44.2	71%	0.711	27%	0.265	S	S	*	.	S	Bend	trans	-113.3	77.2	169.5	-174.7	26.6	0	0	0	109.2	T87 G91	T87-D89 VanDerWaalsContact C-N 3.3Å; T87-D89 WeakPolarHBondContact CG2-O 3.33Å; T87-D89 PolarHBondContact OG1-N 3.27Å; T87-D89 PolarHBondContact OG1-O 3.47Å; D89-G91 PolarHBondContact O-N 3.19Å
90	P	96.4	Very high	97.6	Very high	35 Å²	35	43.5 Å²	43.5	23%	0.227	26%	0.257	C	S	.	.			trans	-70.5	127.1	-174.9	28.7	-35.2	0	0	0	111	D88 I92 P93 E97 A98	D88-P90 VanDerWaalsContact C-CD 3.42Å; D88-P90 VanDerWaalsContact O-CD 3.26Å; D88-P90 WeakPolarHBondContact O-CD 3.34Å; P90-I92 VanDerWaalsContact C-N 3.27Å; P90-I92 PolarHBondContact O-N 3.06Å; P90-P93 HydrophobicContact CB-CG 4.46Å; P90-P93 HydrophobicContact CG-CB 4.38Å; P90-P93 HydrophobicContact CG-CG 4.11Å; P90-E97 HydrophobicContact CB-CB 3.99Å; P90-A98 HydrophobicContact CB-CB 4.39Å; P90-A98 HydrophobicContact CG-CB 4.28Å
91	G	94.1	Very high	97.7	Very high	38 Å²	38	43.3 Å²	43.3	39%	0.392	25%	0.249	S	C	.	.	S	Bend	trans	-71.8	-26.9	174	0	0	0	0	0	112.3	D89 E97	D89-G91 PolarHBondContact O-N 3.19Å; G91-E97 PolarHBondContact N-OE2 2.77Å
92	I	96.4	Very high	97.7	Very high	20 Å²	20	48.7 Å²	48.7	10%	0.103	27%	0.265	C	S	.	.	S	Bend	trans	-138	90.5	175.7	-50.9	-179.3	0	0	0	108.7	P90 Q94 D95 R327	P90-I92 VanDerWaalsContact C-N 3.27Å; P90-I92 PolarHBondContact O-N 3.06Å; I92-Q94 VanDerWaalsContact C-N 3.28Å; I92-Q94 HydrophobicContact CG2-CG 3.85Å; I92-Q94 PolarHBondContact O-N 3.09Å; I92-D95 HydrophobicContact CB-CB 4.49Å; I92-D95 HydrophobicContact CG2-CB 4.38Å; I92-D95 WeakPolarHBondContact CG2-OD2 3.37Å; I92-D95 PolarHBondContact O-N 2.75Å; I92-D95 VanDerWaalsContact O-N 3.14Å; I92-R327 HydrophobicContact CD1-CG 3.51Å
93	P	95.9	Very high	97.7	Very high	97 Å²	97	43.9 Å²	43.9	63%	0.63	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-55.5	-37.4	-173.7	-28.4	34.4	0	0	0	114.7	P90 D95 G96	P90-P93 HydrophobicContact CB-CG 4.46Å; P90-P93 HydrophobicContact CG-CB 4.38Å; P90-P93 HydrophobicContact CG-CG 4.11Å; P93-D95 PolarHBondContact O-N 2.98Å; P93-D95 VanDerWaalsContact O-N 3.15Å; P93-G96 PolarHBondContact O-N 2.67Å; P93-G96 VanDerWaalsContact O-N 3.15Å
94	Q	97.3	Very high	97.7	Very high	116 Å²	116	46.8 Å²	46.8	54%	0.542	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-66.4	-15.3	-177.2	74.5	-140.7	-7.3	0	0	114.4	I92 G96	I92-Q94 VanDerWaalsContact C-N 3.28Å; I92-Q94 HydrophobicContact CG2-CG 3.85Å; I92-Q94 PolarHBondContact O-N 3.09Å; Q94-G96 VanDerWaalsContact C-N 3.31Å
95	D	98.4	Very high	97.7	Very high	9 Å²	9	44.1 Å²	44.1	5%	0.048	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-86.9	-2.1	178.9	-66.7	-8.3	0	0	0	112.3	I92 P93 E97 W290 R327 R333	I92-D95 HydrophobicContact CB-CB 4.49Å; I92-D95 HydrophobicContact CG2-CB 4.38Å; I92-D95 WeakPolarHBondContact CG2-OD2 3.37Å; I92-D95 PolarHBondContact O-N 2.75Å; I92-D95 VanDerWaalsContact O-N 3.14Å; P93-D95 PolarHBondContact O-N 2.98Å; P93-D95 VanDerWaalsContact O-N 3.15Å; D95-E97 HydrophobicContact CB-CG 4.37Å; D95-W290 HydrophobicContact CB-CH2 4.05Å; D95-W290 WeakPolarHBondContact O-CH2 3.36Å; D95-W290 WeakPolarHBondContact O-CZ2 3.26Å; D95-R327 VanDerWaalsContact CG-NH2 3.31Å; D95-R327 IonicContact OD1-NH2 3.37Å; D95-R327 PolarHBondContact OD1-NH2 2.74Å; D95-R327 IonicContact OD2-CZ 3.42Å; D95-R327 IonicContact OD2-NE 3.41Å; D95-R327 PolarHBondContact OD2-NE 3.06Å; D95-R327 IonicContact OD2-NH2 2.88Å; D95-R327 PolarHBondContact OD2-NH2 3.37Å; D95-R333 HydrophobicContact CB-CG 4.26Å; D95-R333 WeakPolarHBondContact O-CD 3.38Å; D95-R333 WeakPolarHBondContact O-CG 3.2Å; D95-R333 PolarHBondContact O-NH1 2.73Å
96	G	98.3	Very high	97.7	Very high	7 Å²	7	47 Å²	47	7%	0.072	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	43.2	-177.1	0	0	0	0	0	112.3	P93 Q94 A98 H294	P93-G96 PolarHBondContact O-N 2.67Å; P93-G96 VanDerWaalsContact O-N 3.15Å; Q94-G96 VanDerWaalsContact C-N 3.31Å; G96-A98 PolarHBondContact O-N 3.23Å; G96-H294 PolarHBondContact O-CD2 2.06Å; G96-H294 PolarHBondContact O-NE2 3Å
97	E	98.5	Very high	97.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.273	C	S	.	.			trans	-66.7	-27.1	171.5	-60.4	-176.2	178	0	0	111.6	G86 T87 P90 G91 D95 R329 A332 R333	G86-E97 CarbonylContact C-O 3.58Å; G86-E97 WeakPolarHBondContact CA-O 3.37Å; T87-E97 HydrophobicContact CG2-CB 3.99Å; T87-E97 PolarHBondContact N-O 3.11Å; P90-E97 HydrophobicContact CB-CB 3.99Å; G91-E97 PolarHBondContact N-OE2 2.77Å; D95-E97 HydrophobicContact CB-CG 4.37Å; E97-R329 IonicContact OE1-CZ 2.95Å; E97-R329 IonicContact OE1-NH1 2.74Å; E97-R329 PolarHBondContact OE1-NH1 3.31Å; E97-R329 IonicContact OE1-NH2 3.81Å; E97-R329 PolarHBondContact OE1-NH2 3.03Å; E97-R329 IonicContact OE2-CZ 3.73Å; E97-R329 IonicContact OE2-NH1 2.84Å; E97-R329 PolarHBondContact OE2-NH1 2.76Å; E97-R329 IonicContact OE2-NH2 2.78Å; E97-R329 PolarHBondContact OE2-NH2 2.67Å; E97-A332 WeakPolarHBondContact OE1-CA 3.38Å; E97-R333 HydrophobicContact CG-CG 4.46Å
98	A	98.1	Very high	97.7	Very high	33 Å²	33	48.7 Å²	48.7	27%	0.273	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-95	160.6	174.4	0	0	0	0	0	112	T87 P90 G96	T87-A98 WeakPolarHBondContact O-CA 3.16Å; T87-A98 VanDerWaalsContact O-CB 3.26Å; T87-A98 WeakPolarHBondContact O-CB 3.22Å; P90-A98 HydrophobicContact CB-CB 4.39Å; P90-A98 HydrophobicContact CG-CB 4.28Å; G96-A98 PolarHBondContact O-N 3.23Å
99	P	98	Very high	97.8	Very high	35 Å²	35	45.7 Å²	45.7	23%	0.227	25%	0.248	C	C	.	.	S	Bend	cis	-74.6	159.4	-9.1	31.7	-37.7	0	0	0	112.9	R101 T296	P99-R101 PolarHBondContact O-NH1 3.44Å; P99-T296 HydrophobicContact CB-CG2 3.77Å; P99-T296 HydrophobicContact CG-CG2 3.61Å
100	Q	98	Very high	97.8	Very high	40 Å²	40	39.4 Å²	39.4	19%	0.187	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-64.1	135.1	162.3	-171	172.2	75.5	0	0	109.5	L84 M85 D88 D225	L84-Q100 HydrophobicContact CB-CG 3.83Å; L84-Q100 HydrophobicContact CD2-CG 4.23Å; L84-Q100 HydrophobicContact CG-CG 4.42Å; M85-Q100 WeakPolarHBondContact O-CA 3.35Å; D88-Q100 HydrophobicContact CB-CB 4.44Å; D88-Q100 WeakPolarHBondContact OD1-CB 3.48Å; D88-Q100 PolarHBondContact OD1-N 3.04Å; Q100-D225 PolarHBondContact NE2-OD1 3.22Å; Q100-D225 VanDerWaalsContact NE2-OD1 3.08Å
101	R	98.2	Very high	97.9	Very high	18 Å²	18	38.2 Å²	38.2	7%	0.068	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	148	-173.2	59.6	-166.8	175.4	-81.9	3.1	111.9	L84 M85 P99 V103 T295	L84-R101 WeakPolarHBondContact CA-O 3.48Å; M85-R101 HydrophobicContact CB-CG 4.19Å; M85-R101 PolarHBondContact N-O 3.31Å; M85-R101 PolarHBondContact O-N 3.38Å; M85-R101 PolarHBondContact SD-NH2 3.08Å; P99-R101 PolarHBondContact O-NH1 3.44Å; R101-V103 HydrophobicContact CG-CG2 4.27Å; R101-T295 WeakPolarHBondContact CD-O 3.22Å
102	R	98.3	Very high	98.1	Very high	127 Å²	127	37.3 Å²	37.3	48%	0.479	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.3	177.5	-70.9	-173.5	-62	-79.3	-3.6	110.1	L84 H298 Q299	L84-R102 HydrophobicContact CD2-CG 3.8Å; R102-H298 WeakPolarHBondContact O-CA 3.49Å; R102-Q299 PolarHBondContact O-N 3.27Å
103	V	98.6	Very high	98.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.9	177.9	177.9	0	0	0	0	108.7	E82 F83 M85 R101 V105 A213 Q299 P302	E82-V103 CarbonylContact C-O 3.58Å; E82-V103 WeakPolarHBondContact CA-O 3.45Å; F83-V103 HydrophobicContact CD1-CB 4.1Å; F83-V103 WeakPolarHBondContact CD1-O 3.46Å; F83-V103 HydrophobicContact CE1-CB 3.69Å; F83-V103 HydrophobicContact CE1-CG1 3.86Å; F83-V103 HydrophobicContact CZ-CB 4.49Å; F83-V103 PolarHBondContact N-O 3.01Å; F83-V103 PolarHBondContact O-N 3.21Å; M85-V103 HydrophobicContact CB-CB 4.41Å; M85-V103 HydrophobicContact CB-CG2 3.81Å; M85-V103 HydrophobicContact SD-CG2 4.17Å; R101-V103 HydrophobicContact CG-CG2 4.27Å; V103-V105 HydrophobicContact CG1-CG2 4.07Å; V103-A213 HydrophobicContact CG1-CB 4.13Å; V103-Q299 WeakPolarHBondContact CA-O 3.36Å; V103-Q299 HydrophobicContact CG2-CB 4.49Å; V103-P302 VanDerWaalsContact CG1-CD 3.46Å; V103-P302 HydrophobicContact CG1-CG 3.65Å; V103-P302 HydrophobicContact CG2-CG 4.46Å
104	Y	98.8	Very high	98.2	Very high	81 Å²	81	33.1 Å²	33.1	32%	0.318	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.6	166.6	-169	-84.5	0	0	0	109.7	E82 D106 Q299 H300 N301	E82-Y104 HydrophobicContact CB-CD2 4.25Å; Y104-D106 WeakPolarHBondContact CE1-OD1 3.44Å; Y104-Q299 PolarHBondContact N-O 3.04Å; Y104-H300 AromaticContact CD1-CD2 3.36Å; Y104-H300 WeakPolarHBondContact CD1-CD2 3.37Å; Y104-H300 AromaticContact CD1-NE2 3.22Å; Y104-H300 WeakPolarHBondContact CD1-NE2 3.3Å; Y104-H300 AromaticContact CE1-NE2 3.56Å; Y104-H300 AromaticContact CG-CD2 3.83Å; Y104-N301 PolarHBondContact O-N 3.06Å
105	V	98.6	Very high	98.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.8	173.5	-175.9	0	0	0	0	108.1	G80 G81 F83 V103 F108 A213 E214 Y217 N301	G80-V105 CarbonylContact C-O 3.5Å; G80-V105 WeakPolarHBondContact CA-O 3.32Å; G81-V105 PolarHBondContact N-O 3.16Å; G81-V105 PolarHBondContact O-N 3.13Å; F83-V105 HydrophobicContact CD1-CG2 4.36Å; F83-V105 HydrophobicContact CE1-CG2 3.85Å; V103-V105 HydrophobicContact CG1-CG2 4.07Å; V105-F108 HydrophobicContact CG1-CD1 4.09Å; V105-F108 HydrophobicContact CG1-CE1 3.8Å; V105-A213 HydrophobicContact CG2-CB 4.39Å; V105-E214 HydrophobicContact CG1-CG 3.64Å; V105-Y217 HydrophobicContact CG2-CG 4.46Å; V105-N301 WeakPolarHBondContact CA-OD1 3.31Å
106	D	98.6	Very high	98.2	Very high	66 Å²	66	27.8 Å²	27.8	35%	0.353	14%	0.141	S	C	.	.			trans	-62.8	168.3	173.3	-77.5	-25.1	0	0	0	111.4	Y104 F108 H300 N301	Y104-D106 WeakPolarHBondContact CE1-OD1 3.44Å; D106-F108 WeakPolarHBondContact O-CD1 3.35Å; D106-H300 IonicContact OD1-CE1 3.27Å; D106-H300 PolarHBondContact OD1-CE1 2.97Å; D106-H300 IonicContact OD1-NE2 3.51Å; D106-H300 IonicContact OD2-CE1 2.67Å; D106-N301 VanDerWaalsContact CG-ND2 3.28Å; D106-N301 PolarHBondContact N-OD1 3.49Å; D106-N301 PolarHBondContact OD2-ND2 2.99Å
107	S	98.6	Very high	98.2	Very high	56 Å²	56	27.7 Å²	27.7	39%	0.392	14%	0.139	S	C	.	.			trans	-71.6	142.2	173.6	-52.2	0	0	0	0	110.5	F77 I78 G80	F77-S107 VanDerWaalsContact CZ-CB 3.49Å; I78-S107 WeakPolarHBondContact O-CA 3.11Å; G80-S107 PolarHBondContact N-OG 3.5Å
108	F	98.6	Very high	98.1	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	176.8	178.9	65.5	-78	0	0	0	110.2	I78 V105 D106 M110 E214 Y217 A218 V350	I78-F108 HydrophobicContact CB-CD1 4.09Å; I78-F108 HydrophobicContact CB-CE1 3.83Å; I78-F108 HydrophobicContact CB-CE2 4.28Å; I78-F108 HydrophobicContact CB-CG 4.43Å; I78-F108 HydrophobicContact CB-CZ 3.93Å; I78-F108 HydrophobicContact CG1-CD2 4.5Å; I78-F108 HydrophobicContact CG1-CE1 4.43Å; I78-F108 HydrophobicContact CG1-CE2 4.06Å; I78-F108 HydrophobicContact CG1-CZ 4.02Å; I78-F108 HydrophobicContact CG2-CD1 4.21Å; I78-F108 HydrophobicContact CG2-CE1 3.55Å; I78-F108 HydrophobicContact CG2-CZ 3.78Å; I78-F108 PolarHBondContact N-O 2.92Å; I78-F108 PolarHBondContact O-N 3.27Å; I78-F108 VanDerWaalsContact O-N 3.15Å; V105-F108 HydrophobicContact CG1-CD1 4.09Å; V105-F108 HydrophobicContact CG1-CE1 3.8Å; D106-F108 WeakPolarHBondContact O-CD1 3.35Å; F108-M110 HydrophobicContact CD2-CB 4.4Å; F108-M110 HydrophobicContact CE2-CB 3.89Å; F108-M110 HydrophobicContact CE2-CE 3.79Å; F108-M110 HydrophobicContact CZ-CE 4.22Å; F108-E214 HydrophobicContact CD1-CG 4.38Å; F108-E214 HydrophobicContact CE1-CB 4.22Å; F108-E214 HydrophobicContact CE1-CG 4.06Å; F108-E214 HydrophobicContact CE2-CB 4.16Å; F108-E214 HydrophobicContact CE2-CG 4.47Å; F108-E214 HydrophobicContact CZ-CB 3.8Å; F108-E214 HydrophobicContact CZ-CG 4.11Å; F108-Y217 HydrophobicContact CE1-CD1 4.27Å; F108-A218 HydrophobicContact CZ-CB 4.33Å; F108-V350 HydrophobicContact CD2-CB 3.99Å; F108-V350 HydrophobicContact CD2-CG1 3.83Å; F108-V350 HydrophobicContact CE2-CB 4.37Å; F108-V350 HydrophobicContact CE2-CG1 3.71Å
109	Y	98.5	Very high	98	Very high	46 Å²	46	29.9 Å²	29.9	18%	0.18	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.4	170.8	-68.5	-93.1	0	0	0	109.7	M75 V76 F77 V350 S351 K354	M75-Y109 HydrophobicContact CB-CD1 4.45Å; M75-Y109 VanDerWaalsContact CE-O 3.32Å; M75-Y109 WeakPolarHBondContact CE-O 3.47Å; V76-Y109 VanDerWaalsContact O-CA 3.3Å; V76-Y109 WeakPolarHBondContact O-CA 3.43Å; F77-Y109 HydrophobicContact CB-CD1 4.09Å; F77-Y109 HydrophobicContact CB-CE1 3.68Å; F77-Y109 AromaticContact CD2-CE1 3.98Å; F77-Y109 HydrophobicContact CD2-CE1 3.98Å; F77-Y109 AromaticContact CD2-CE2 3.99Å; F77-Y109 HydrophobicContact CD2-CE2 3.99Å; F77-Y109 AromaticContact CD2-CZ 3.67Å; F77-Y109 HydrophobicContact CG-CE1 4.32Å; Y109-V350 CarbonylContact O-C 3.55Å; Y109-V350 WeakPolarHBondContact O-CA 3.34Å; Y109-V350 WeakPolarHBondContact O-CB 3.39Å; Y109-S351 WeakPolarHBondContact CB-OG 3.34Å; Y109-S351 PolarHBondContact N-O 2.87Å; Y109-S351 PolarHBondContact O-N 3.44Å; Y109-K354 HydrophobicContact CE1-CB 3.92Å; Y109-K354 HydrophobicContact CE1-CD 4.42Å; Y109-K354 HydrophobicContact CE1-CG 3.91Å; Y109-K354 HydrophobicContact CE2-CB 3.99Å
110	M	98.6	Very high	98	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.2	174.8	-174.9	169.5	-90.6	0	0	110.6	M75 V76 I78 F108 V112 P210 A218 L275 M278 V350	M75-M110 CarbonylContact C-O 3.2Å; M75-M110 WeakPolarHBondContact CA-O 3.36Å; V76-M110 PolarHBondContact N-O 3.03Å; V76-M110 PolarHBondContact O-N 3.44Å; I78-M110 HydrophobicContact CD1-CB 4.46Å; I78-M110 HydrophobicContact CG1-CB 3.91Å; F108-M110 HydrophobicContact CD2-CB 4.4Å; F108-M110 HydrophobicContact CE2-CB 3.89Å; F108-M110 HydrophobicContact CE2-CE 3.79Å; F108-M110 HydrophobicContact CZ-CE 4.22Å; M110-V112 PolarHBondContact O-N 3.29Å; M110-P210 HydrophobicContact CE-CB 3.91Å; M110-P210 HydrophobicContact CE-CG 4.38Å; M110-A218 HydrophobicContact CE-CB 3.69Å; M110-A218 HydrophobicContact SD-CB 3.38Å; M110-A218 WeakPolarHBondContact SD-CB 3.36Å; M110-L275 HydrophobicContact CB-CD2 4.22Å; M110-L275 HydrophobicContact CG-CD2 4.1Å; M110-L275 HydrophobicContact SD-CD1 3.75Å; M110-L275 HydrophobicContact SD-CD2 4.27Å; M110-M278 HydrophobicContact SD-CE 4.18Å; M110-M278 HydrophobicContact SD-SD 4.32Å; M110-V350 HydrophobicContact CB-CG1 4.04Å; M110-V350 HydrophobicContact CE-CG1 3.61Å; M110-V350 HydrophobicContact CG-CG1 3.94Å
111	D	97.9	Very high	98	Very high	10 Å²	10	28.3 Å²	28.3	5%	0.053	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	129.3	169.9	-77	-22.1	0	0	0	110	M75 L113 K207 R348 C349	M75-D111 VanDerWaalsContact CG-OD1 3.24Å; M75-D111 WeakPolarHBondContact CG-OD1 3.48Å; D111-L113 WeakPolarHBondContact CB-O 3.2Å; D111-L113 PolarHBondContact O-N 2.81Å; D111-K207 IonicContact OD1-NZ 2.66Å; D111-K207 PolarHBondContact OD1-NZ 3.07Å; D111-K207 IonicContact OD2-NZ 3.52Å; D111-R348 HydrophobicContact CB-CB 4.22Å; D111-R348 PolarHBondContact O-NH1 3.23Å; D111-C349 WeakPolarHBondContact CB-O 3.48Å; D111-C349 PolarHBondContact N-O 3.05Å; D111-C349 WeakPolarHBondContact OD2-CA 3.41Å; D111-C349 WeakPolarHBondContact OD2-CB 3.18Å; D111-C349 PolarHBondContact OD2-N 3.36Å
112	V	97.1	Very high	97.9	Very high	20 Å²	20	29.9 Å²	29.9	12%	0.121	15%	0.147	C	C	.	.	S	Bend	trans	-61.1	-28.6	178.5	170.6	0	0	0	0	111.2	Q74 V76 M110 G274 H276 R348	Q74-V112 HydrophobicContact CB-CG2 4.27Å; Q74-V112 WeakPolarHBondContact O-CB 3.38Å; Q74-V112 WeakPolarHBondContact O-CG2 3.23Å; Q74-V112 PolarHBondContact O-N 2.66Å; V76-V112 HydrophobicContact CB-CG2 4.05Å; V76-V112 HydrophobicContact CG1-CG2 4.22Å; M110-V112 PolarHBondContact O-N 3.29Å; V112-G274 WeakPolarHBondContact CG1-O 3.48Å; V112-H276 PolarHBondContact O-N 2.95Å; V112-R348 PolarHBondContact O-NH1 3.45Å
113	L	96.4	Very high	97.8	Very high	29 Å²	29	24.1 Å²	24.1	15%	0.152	13%	0.126	C	C	.	.	S	Bend	trans	-128	157.2	-169.7	-48.4	177.6	0	0	0	110.7	D111 V265 M266 H276 R348	D111-L113 WeakPolarHBondContact CB-O 3.2Å; D111-L113 PolarHBondContact O-N 2.81Å; L113-V265 HydrophobicContact CB-CB 4.2Å; L113-V265 HydrophobicContact CB-CG1 4.45Å; L113-V265 HydrophobicContact CB-CG2 4.35Å; L113-V265 HydrophobicContact CD1-CB 4.36Å; L113-V265 HydrophobicContact CD1-CG2 3.73Å; L113-V265 HydrophobicContact CD2-CB 4.27Å; L113-V265 HydrophobicContact CD2-CG2 4.45Å; L113-V265 HydrophobicContact CG-CG2 4.38Å; L113-M266 HydrophobicContact CD1-CG 4.09Å; L113-M266 HydrophobicContact CD1-SD 3.98Å; L113-M266 HydrophobicContact CD2-CB 4.43Å; L113-M266 HydrophobicContact CD2-CG 3.11Å; L113-M266 HydrophobicContact CD2-SD 3.83Å; L113-M266 HydrophobicContact CG-CG 4.23Å; L113-H276 HydrophobicContact CD2-CB 3.98Å; L113-R348 WeakPolarHBondContact O-CB 3.24Å
114	E	98.6	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-56.2	149	158	-61	158.8	139.6	0	0	109.7	T116 P189 V265 N281 V282	E114-T116 PolarHBondContact O-N 2.83Å; E114-T116 VanDerWaalsContact O-N 3.16Å; E114-P189 HydrophobicContact CB-CB 3.83Å; E114-P189 HydrophobicContact CG-CB 4.44Å; E114-V265 HydrophobicContact CB-CG1 4.23Å; E114-N281 PolarHBondContact OE2-ND2 3.39Å; E114-V282 HydrophobicContact CG-CG2 4.21Å; E114-V282 WeakPolarHBondContact OE1-CG2 3.3Å; E114-V282 PolarHBondContact OE1-N 2.97Å; E114-V282 VanDerWaalsContact OE1-N 3.16Å
115	V	98.3	Very high	97.7	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-62.8	121.4	175.2	173.8	0	0	0	0	108.9	Q119 F120 P189 V190 F201 F347	V115-Q119 HydrophobicContact CG1-CB 4.07Å; V115-F120 HydrophobicContact CG1-CB 4.38Å; V115-P189 WeakPolarHBondContact O-CA 3.35Å; V115-V190 HydrophobicContact CB-CG1 4.28Å; V115-V190 HydrophobicContact CG1-CG1 4.09Å; V115-V190 WeakPolarHBondContact O-CG1 3.26Å; V115-V190 PolarHBondContact O-N 3.15Å; V115-F201 HydrophobicContact CB-CE1 4.39Å; V115-F201 HydrophobicContact CG1-CD1 4.28Å; V115-F201 HydrophobicContact CG1-CD2 4.42Å; V115-F201 HydrophobicContact CG1-CE1 3.75Å; V115-F201 HydrophobicContact CG1-CE2 3.93Å; V115-F201 HydrophobicContact CG1-CZ 3.56Å; V115-F201 HydrophobicContact CG2-CD1 4.12Å; V115-F201 HydrophobicContact CG2-CE1 3.65Å; V115-F201 HydrophobicContact CG2-CZ 4.27Å; V115-F347 HydrophobicContact CB-CE1 4.28Å; V115-F347 HydrophobicContact CB-CE2 4.18Å; V115-F347 HydrophobicContact CB-CZ 3.98Å; V115-F347 HydrophobicContact CG1-CZ 4.06Å; V115-F347 HydrophobicContact CG2-CD2 3.97Å; V115-F347 HydrophobicContact CG2-CE2 3.55Å; V115-F347 HydrophobicContact CG2-CZ 3.85Å; V115-F347 PolarHBondContact N-O 3.15Å
116	T	98.1	Very high	97.4	Very high	11 Å²	11	32 Å²	32	7%	0.067	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-77.1	156.7	-178.5	58.1	0	0	0	0	111.8	E114 Q118 Q119 F120 H188 V265	E114-T116 PolarHBondContact O-N 2.83Å; E114-T116 VanDerWaalsContact O-N 3.16Å; T116-Q118 PolarHBondContact O-N 3.3Å; T116-Q119 PolarHBondContact O-N 2.8Å; T116-Q119 VanDerWaalsContact O-N 3.13Å; T116-Q119 WeakPolarHBondContact OG1-CB 3.45Å; T116-Q119 VanDerWaalsContact OG1-CD 3.27Å; T116-Q119 VanDerWaalsContact OG1-CG 3.23Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.4Å; T116-Q119 PolarHBondContact OG1-N 2.66Å; T116-Q119 PolarHBondContact OG1-OE1 2.98Å; T116-Q119 VanDerWaalsContact OG1-OE1 3.11Å; T116-F120 PolarHBondContact O-N 3.49Å; T116-H188 CarbonylContact C-O 3.53Å; T116-H188 WeakPolarHBondContact CA-O 3.36Å; T116-V265 HydrophobicContact CG2-CB 4.48Å; T116-V265 HydrophobicContact CG2-CG1 3.97Å; T116-V265 HydrophobicContact CG2-CG2 3.66Å
117	T	98.1	Very high	97.2	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-56	-36.7	172.9	-61	0	0	0	0	111.8	F120 Q121 W172 I182 R185 L186 H188	T117-F120 PolarHBondContact O-N 3.48Å; T117-Q121 VanDerWaalsContact O-CB 3.26Å; T117-Q121 WeakPolarHBondContact O-CB 3.46Å; T117-Q121 PolarHBondContact O-N 3.01Å; T117-W172 HydrophobicContact CG2-CE3 4.46Å; T117-W172 HydrophobicContact CG2-CZ3 4.49Å; T117-I182 HydrophobicContact CG2-CB 3.89Å; T117-I182 HydrophobicContact CG2-CD1 3.5Å; T117-I182 VanDerWaalsContact CG2-CD1 3.5Å; T117-I182 HydrophobicContact CG2-CG1 4.29Å; T117-I182 HydrophobicContact CG2-CG2 3.88Å; T117-R185 PolarHBondContact OG1-O 3.02Å; T117-L186 HydrophobicContact CG2-CD2 4.29Å; T117-L186 PolarHBondContact N-O 3.44Å; T117-H188 PolarHBondContact N-O 3.26Å; T117-H188 PolarHBondContact OG1-O 3.15Å
118	Q	96.4	Very high	97.1	Very high	50 Å²	50	32.3 Å²	32.3	23%	0.234	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-43.4	175.9	-171.8	176.7	53.4	0	0	113.2	N69 T116 Q121 S122 L186	N69-Q118 PolarHBondContact OD1-OE1 3.45Å; T116-Q118 PolarHBondContact O-N 3.3Å; Q118-Q121 PolarHBondContact O-N 2.9Å; Q118-S122 PolarHBondContact O-N 3.33Å; Q118-S122 PolarHBondContact O-OG 3.26Å; Q118-L186 HydrophobicContact CB-CB 4.23Å; Q118-L186 WeakPolarHBondContact CB-O 3.32Å; Q118-L186 PolarHBondContact N-O 3.5Å
119	Q	95.9	Very high	97.1	Very high	31 Å²	31	34.8 Å²	34.8	15%	0.145	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-46.4	176.8	-75.3	165.3	-24.7	0	0	110.5	I72 V115 T116 Q121 S122 F123 F201	I72-Q119 HydrophobicContact CG2-CG 4.39Å; V115-Q119 HydrophobicContact CG1-CB 4.07Å; T116-Q119 PolarHBondContact O-N 2.8Å; T116-Q119 VanDerWaalsContact O-N 3.13Å; T116-Q119 WeakPolarHBondContact OG1-CB 3.45Å; T116-Q119 VanDerWaalsContact OG1-CD 3.27Å; T116-Q119 VanDerWaalsContact OG1-CG 3.23Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.4Å; T116-Q119 PolarHBondContact OG1-N 2.66Å; T116-Q119 PolarHBondContact OG1-OE1 2.98Å; T116-Q119 VanDerWaalsContact OG1-OE1 3.11Å; Q119-Q121 PolarHBondContact O-N 3.33Å; Q119-S122 WeakPolarHBondContact O-CB 3.44Å; Q119-S122 PolarHBondContact O-N 3.31Å; Q119-S122 VanDerWaalsContact O-N 3.09Å; Q119-F123 PolarHBondContact O-N 2.87Å; Q119-F123 VanDerWaalsContact O-N 3.08Å; Q119-F201 HydrophobicContact CB-CE2 4.38Å; Q119-F201 HydrophobicContact CB-CZ 4.08Å
120	F	98	Very high	97.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-41.6	177.5	-161	-98.9	0	0	0	111.9	V115 T116 T117 S122 F123 I124 T131 W172 V190 V193 F201 F347	V115-F120 HydrophobicContact CG1-CB 4.38Å; T116-F120 PolarHBondContact O-N 3.49Å; T117-F120 PolarHBondContact O-N 3.48Å; F120-S122 PolarHBondContact O-N 3.11Å; F120-F123 HydrophobicContact CD2-CD1 4.15Å; F120-F123 AromaticContact CE2-CD1 3.9Å; F120-F123 HydrophobicContact CE2-CD1 3.9Å; F120-F123 HydrophobicContact CE2-CE1 4.08Å; F120-F123 HydrophobicContact CZ-CD1 4.13Å; F120-F123 HydrophobicContact CZ-CE1 4.12Å; F120-F123 WeakPolarHBondContact O-CB 3.43Å; F120-F123 PolarHBondContact O-N 2.89Å; F120-F123 VanDerWaalsContact O-N 3.12Å; F120-I124 HydrophobicContact CD1-CD1 4.29Å; F120-I124 HydrophobicContact CD1-CG1 3.86Å; F120-I124 HydrophobicContact CE1-CD1 3.69Å; F120-I124 HydrophobicContact CE1-CG1 3.78Å; F120-I124 HydrophobicContact CZ-CD1 4.19Å; F120-I124 WeakPolarHBondContact O-CG1 3.42Å; F120-I124 PolarHBondContact O-N 3.46Å; F120-T131 HydrophobicContact CE1-CG2 3.78Å; F120-T131 HydrophobicContact CZ-CG2 3.84Å; F120-W172 HydrophobicContact CD1-CB 4.46Å; F120-W172 AromaticContact CD1-CD2 3.87Å; F120-W172 HydrophobicContact CD1-CD2 3.87Å; F120-W172 HydrophobicContact CD1-CE3 4.03Å; F120-W172 HydrophobicContact CD1-CG 4.05Å; F120-W172 HydrophobicContact CE1-CB 4.35Å; F120-W172 HydrophobicContact CE1-CD2 4.07Å; F120-W172 AromaticContact CE1-CG 3.88Å; F120-W172 HydrophobicContact CE1-CG 3.88Å; F120-V190 HydrophobicContact CB-CB 3.96Å; F120-V190 HydrophobicContact CB-CG1 4.11Å; F120-V190 HydrophobicContact CB-CG2 3.78Å; F120-V190 HydrophobicContact CD1-CG2 3.76Å; F120-V190 HydrophobicContact CD2-CG1 4.13Å; F120-V190 HydrophobicContact CD2-CG2 4.35Å; F120-V190 HydrophobicContact CE1-CG2 4.43Å; F120-V190 HydrophobicContact CG-CB 4.26Å; F120-V190 HydrophobicContact CG-CG1 4.17Å; F120-V190 HydrophobicContact CG-CG2 3.71Å; F120-V193 HydrophobicContact CD2-CG1 4.4Å; F120-V193 HydrophobicContact CE1-CG1 4.01Å; F120-V193 HydrophobicContact CE2-CG1 3.85Å; F120-V193 HydrophobicContact CZ-CG1 3.63Å; F120-F201 HydrophobicContact CD2-CB 4.31Å; F120-F201 AromaticContact CD2-CD2 3.6Å; F120-F201 HydrophobicContact CD2-CD2 3.6Å; F120-F201 HydrophobicContact CD2-CE2 4.28Å; F120-F201 HydrophobicContact CD2-CG 4.16Å; F120-F201 HydrophobicContact CE2-CB 4.1Å; F120-F201 HydrophobicContact CE2-CD2 4.17Å; F120-F201 HydrophobicContact CE2-CG 4.45Å; F120-F201 HydrophobicContact CG-CD2 4.47Å; F120-F347 HydrophobicContact CD2-CE1 4.41Å; F120-F347 HydrophobicContact CD2-CZ 4.34Å; F120-F347 HydrophobicContact CE2-CE1 4.42Å; F120-F347 HydrophobicContact CE2-CZ 4.45Å
121	Q	97.3	Very high	97.1	Very high	42 Å²	42	35.8 Å²	35.8	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-58.2	-37.1	173.1	-174.4	-175.9	87.3	0	0	112	T117 Q118 Q119 I124 K125 W172	T117-Q121 VanDerWaalsContact O-CB 3.26Å; T117-Q121 WeakPolarHBondContact O-CB 3.46Å; T117-Q121 PolarHBondContact O-N 3.01Å; Q118-Q121 PolarHBondContact O-N 2.9Å; Q119-Q121 PolarHBondContact O-N 3.33Å; Q121-I124 PolarHBondContact O-N 3.16Å; Q121-K125 HydrophobicContact CG-CD 4.1Å; Q121-K125 HydrophobicContact CG-CG 4.48Å; Q121-K125 WeakPolarHBondContact O-CB 3.44Å; Q121-K125 VanDerWaalsContact O-CG 3.3Å; Q121-K125 WeakPolarHBondContact O-CG 3.42Å; Q121-K125 PolarHBondContact O-N 3.47Å; Q121-W172 HydrophobicContact CB-CH2 4.09Å; Q121-W172 HydrophobicContact CB-CZ3 3.93Å; Q121-W172 HydrophobicContact CG-CH2 4.06Å; Q121-W172 HydrophobicContact CG-CZ3 4.31Å
122	S	96.1	Very high	97.1	Very high	51 Å²	51	37.1 Å²	37.1	36%	0.357	22%	0.216	S	C	.	.	H	α-helix	trans	-66.1	-41	176.6	-57.2	0	0	0	0	111.8	Q118 Q119 F120 K125 A126	Q118-S122 PolarHBondContact O-N 3.33Å; Q118-S122 PolarHBondContact O-OG 3.26Å; Q119-S122 WeakPolarHBondContact O-CB 3.44Å; Q119-S122 PolarHBondContact O-N 3.31Å; Q119-S122 VanDerWaalsContact O-N 3.09Å; F120-S122 PolarHBondContact O-N 3.11Å; S122-K125 PolarHBondContact O-N 3.24Å; S122-A126 VanDerWaalsContact O-CB 3.28Å; S122-A126 WeakPolarHBondContact O-CB 3.46Å; S122-A126 PolarHBondContact O-N 2.75Å
123	F	97	Very high	97.2	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-49.5	171.7	159.3	-114.1	0	0	0	111.9	Q119 F120 K125 A126 T127 Y129 A200 F201 W204	Q119-F123 PolarHBondContact O-N 2.87Å; Q119-F123 VanDerWaalsContact O-N 3.08Å; F120-F123 HydrophobicContact CD2-CD1 4.15Å; F120-F123 AromaticContact CE2-CD1 3.9Å; F120-F123 HydrophobicContact CE2-CD1 3.9Å; F120-F123 HydrophobicContact CE2-CE1 4.08Å; F120-F123 HydrophobicContact CZ-CD1 4.13Å; F120-F123 HydrophobicContact CZ-CE1 4.12Å; F120-F123 WeakPolarHBondContact O-CB 3.43Å; F120-F123 PolarHBondContact O-N 2.89Å; F120-F123 VanDerWaalsContact O-N 3.12Å; F123-K125 PolarHBondContact O-N 3.23Å; F123-A126 PolarHBondContact O-N 3.16Å; F123-T127 HydrophobicContact CD2-CG2 3.79Å; F123-T127 HydrophobicContact CE2-CG2 3.8Å; F123-T127 WeakPolarHBondContact O-CB 3.3Å; F123-T127 WeakPolarHBondContact O-CG2 3.36Å; F123-T127 PolarHBondContact O-N 3.12Å; F123-T127 PolarHBondContact O-OG1 2.76Å; F123-Y129 AromaticContact CE1-CD1 3.5Å; F123-Y129 HydrophobicContact CE1-CD1 3.5Å; F123-Y129 VanDerWaalsContact CE1-CD1 3.5Å; F123-Y129 HydrophobicContact CE1-CD2 4.43Å; F123-Y129 HydrophobicContact CE1-CE1 4.19Å; F123-Y129 AromaticContact CE1-CG 3.65Å; F123-Y129 HydrophobicContact CE1-CG 3.65Å; F123-Y129 HydrophobicContact CE2-CG 4.47Å; F123-Y129 AromaticContact CZ-CD1 3.74Å; F123-Y129 HydrophobicContact CZ-CD1 3.74Å; F123-Y129 AromaticContact CZ-CD2 3.82Å; F123-Y129 HydrophobicContact CZ-CD2 3.82Å; F123-Y129 HydrophobicContact CZ-CE1 4.39Å; F123-Y129 HydrophobicContact CZ-CE2 4.47Å; F123-Y129 AromaticContact CZ-CG 3.42Å; F123-Y129 HydrophobicContact CZ-CG 3.42Å; F123-Y129 VanDerWaalsContact CZ-CG 3.42Å; F123-A200 HydrophobicContact CZ-CB 4.09Å; F123-F201 HydrophobicContact CB-CD2 3.48Å; F123-F201 VanDerWaalsContact CB-CD2 3.48Å; F123-F201 HydrophobicContact CB-CE2 3.68Å; F123-F201 HydrophobicContact CD1-CB 4.3Å; F123-F201 AromaticContact CD1-CD2 3.81Å; F123-F201 HydrophobicContact CD1-CD2 3.81Å; F123-F201 HydrophobicContact CD2-CD2 4.46Å; F123-F201 HydrophobicContact CE1-CB 4.36Å; F123-F201 AromaticContact CG-CD2 3.67Å; F123-F201 HydrophobicContact CG-CD2 3.67Å; F123-F201 HydrophobicContact CG-CE2 4.37Å; F123-W204 HydrophobicContact CB-CD2 4.12Å; F123-W204 HydrophobicContact CB-CE3 3.73Å; F123-W204 HydrophobicContact CB-CH2 4.12Å; F123-W204 HydrophobicContact CB-CZ2 4.48Å; F123-W204 HydrophobicContact CB-CZ3 3.73Å; F123-W204 HydrophobicContact CD2-CB 3.76Å; F123-W204 AromaticContact CD2-CD2 3.63Å; F123-W204 HydrophobicContact CD2-CD2 3.63Å; F123-W204 AromaticContact CD2-CE3 3.88Å; F123-W204 HydrophobicContact CD2-CE3 3.88Å; F123-W204 AromaticContact CD2-CG 3.57Å; F123-W204 HydrophobicContact CD2-CG 3.57Å; F123-W204 HydrophobicContact CE2-CB 3.82Å; F123-W204 HydrophobicContact CE2-CG 4.07Å; F123-W204 HydrophobicContact CG-CD2 4.34Å; F123-W204 HydrophobicContact CG-CE3 4.2Å
124	I	97.8	Very high	97.3	Very high	26 Å²	26	38 Å²	38	13%	0.133	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-46.5	179.5	-61.6	-71	0	0	0	110.5	F120 Q121 A126 T127 G128 Y129 T131 W172	F120-I124 HydrophobicContact CD1-CD1 4.29Å; F120-I124 HydrophobicContact CD1-CG1 3.86Å; F120-I124 HydrophobicContact CE1-CD1 3.69Å; F120-I124 HydrophobicContact CE1-CG1 3.78Å; F120-I124 HydrophobicContact CZ-CD1 4.19Å; F120-I124 WeakPolarHBondContact O-CG1 3.42Å; F120-I124 PolarHBondContact O-N 3.46Å; Q121-I124 PolarHBondContact O-N 3.16Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 3.38Å; I124-T127 PolarHBondContact O-N 2.96Å; I124-G128 WeakPolarHBondContact O-CA 3.26Å; I124-G128 PolarHBondContact O-N 2.9Å; I124-Y129 HydrophobicContact CD1-CD1 3.92Å; I124-Y129 WeakPolarHBondContact CD1-O 3.32Å; I124-T131 HydrophobicContact CD1-CG2 4.45Å; I124-W172 HydrophobicContact CB-CZ2 4.16Å; I124-W172 HydrophobicContact CG1-CH2 4.38Å; I124-W172 HydrophobicContact CG1-CZ2 3.83Å; I124-W172 HydrophobicContact CG2-CZ2 3.99Å
125	K	96.7	Very high	97.3	Very high	152 Å²	152	43.3 Å²	43.3	66%	0.661	24%	0.241	S	C	*	.	H	α-helix	trans	-61.3	-37.7	177.1	-76.6	172.7	175.6	170.4	0	112.9	Q121 S122 F123	Q121-K125 HydrophobicContact CG-CD 4.1Å; Q121-K125 HydrophobicContact CG-CG 4.48Å; Q121-K125 WeakPolarHBondContact O-CB 3.44Å; Q121-K125 VanDerWaalsContact O-CG 3.3Å; Q121-K125 WeakPolarHBondContact O-CG 3.42Å; Q121-K125 PolarHBondContact O-N 3.47Å; S122-K125 PolarHBondContact O-N 3.24Å; F123-K125 PolarHBondContact O-N 3.23Å
126	A	92.8	Very high	97.2	Very high	70 Å²	70	45.5 Å²	45.5	58%	0.579	25%	0.25	S	S	*	.	H	α-helix	trans	-76	-29.9	-178	0	0	0	0	0	113.3	S122 F123 I124 W204	S122-A126 VanDerWaalsContact O-CB 3.28Å; S122-A126 WeakPolarHBondContact O-CB 3.46Å; S122-A126 PolarHBondContact O-N 2.75Å; F123-A126 PolarHBondContact O-N 3.16Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 3.38Å; A126-W204 HydrophobicContact CB-CZ2 4.12Å
127	T	94.6	Very high	97.1	Very high	67 Å²	67	46.3 Å²	46.3	41%	0.411	26%	0.261	S	S	.	.	H	α-helix	trans	-114.5	-18.9	-168.8	61.6	0	0	0	0	114.2	F123 I124 Y129 W204	F123-T127 HydrophobicContact CD2-CG2 3.79Å; F123-T127 HydrophobicContact CE2-CG2 3.8Å; F123-T127 WeakPolarHBondContact O-CB 3.3Å; F123-T127 WeakPolarHBondContact O-CG2 3.36Å; F123-T127 PolarHBondContact O-N 3.12Å; F123-T127 PolarHBondContact O-OG1 2.76Å; I124-T127 PolarHBondContact O-N 2.96Å; T127-Y129 PolarHBondContact O-N 3.29Å; T127-Y129 WeakPolarHBondContact OG1-CB 3.13Å; T127-Y129 PolarHBondContact OG1-N 2.73Å; T127-W204 HydrophobicContact CG2-CG 4.25Å
128	G	96.8	Very high	97	Very high	60 Å²	60	47.6 Å²	47.6	62%	0.619	27%	0.268	S	S	*	.			trans	64.9	21.1	-167.9	0	0	0	0	0	113	I124	I124-G128 WeakPolarHBondContact O-CA 3.26Å; I124-G128 PolarHBondContact O-N 2.9Å
129	Y	98	Very high	97.1	Very high	54 Å²	54	45.2 Å²	45.2	21%	0.212	26%	0.257	C	S	.	.			trans	-62.6	142.9	-179.2	-176.1	-90.3	0	0	0	111.4	F123 I124 T127 T131 D197 A200	F123-Y129 AromaticContact CE1-CD1 3.5Å; F123-Y129 HydrophobicContact CE1-CD1 3.5Å; F123-Y129 VanDerWaalsContact CE1-CD1 3.5Å; F123-Y129 HydrophobicContact CE1-CD2 4.43Å; F123-Y129 HydrophobicContact CE1-CE1 4.19Å; F123-Y129 AromaticContact CE1-CG 3.65Å; F123-Y129 HydrophobicContact CE1-CG 3.65Å; F123-Y129 HydrophobicContact CE2-CG 4.47Å; F123-Y129 AromaticContact CZ-CD1 3.74Å; F123-Y129 HydrophobicContact CZ-CD1 3.74Å; F123-Y129 AromaticContact CZ-CD2 3.82Å; F123-Y129 HydrophobicContact CZ-CD2 3.82Å; F123-Y129 HydrophobicContact CZ-CE1 4.39Å; F123-Y129 HydrophobicContact CZ-CE2 4.47Å; F123-Y129 AromaticContact CZ-CG 3.42Å; F123-Y129 HydrophobicContact CZ-CG 3.42Å; F123-Y129 VanDerWaalsContact CZ-CG 3.42Å; I124-Y129 HydrophobicContact CD1-CD1 3.92Å; I124-Y129 WeakPolarHBondContact CD1-O 3.32Å; T127-Y129 PolarHBondContact O-N 3.29Å; T127-Y129 WeakPolarHBondContact OG1-CB 3.13Å; T127-Y129 PolarHBondContact OG1-N 2.73Å; Y129-T131 HydrophobicContact CD1-CG2 4.5Å; Y129-T131 HydrophobicContact CE1-CG2 4.3Å; Y129-D197 HydrophobicContact CE1-CB 4.25Å; Y129-D197 WeakPolarHBondContact CE1-OD1 3.21Å; Y129-D197 PolarHBondContact OH-OD1 3.39Å; Y129-A200 HydrophobicContact CD2-CB 4.3Å; Y129-A200 HydrophobicContact CE2-CB 3.68Å
130	V	98.7	Very high	97.1	Very high	66 Å²	66	43.9 Å²	43.9	40%	0.4	25%	0.251	S	S	.	.			trans	-119.7	123.6	178.1	-177.7	0	0	0	0	107.8	E134 K135	V130-E134 HydrophobicContact CG1-CB 3.57Å; V130-K135 HydrophobicContact CG1-CG 3.98Å; V130-K135 WeakPolarHBondContact O-CE 3.16Å; V130-K135 PolarHBondContact O-NZ 2.91Å
131	T	98.8	Very high	97	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.251	C	S	.	.			trans	-69.6	164	-176	71.4	0	0	0	0	112.4	F120 I124 Y129 A133 E134 K135 W172 D197	F120-T131 HydrophobicContact CE1-CG2 3.78Å; F120-T131 HydrophobicContact CZ-CG2 3.84Å; I124-T131 HydrophobicContact CD1-CG2 4.45Å; Y129-T131 HydrophobicContact CD1-CG2 4.5Å; Y129-T131 HydrophobicContact CE1-CG2 4.3Å; T131-A133 VanDerWaalsContact C-N 3.32Å; T131-A133 PolarHBondContact O-N 2.95Å; T131-E134 PolarHBondContact N-OE2 3.01Å; T131-E134 PolarHBondContact O-N 2.65Å; T131-E134 WeakPolarHBondContact OG1-CG 3.16Å; T131-E134 PolarHBondContact OG1-N 2.92Å; T131-E134 PolarHBondContact OG1-OE2 3.39Å; T131-K135 WeakPolarHBondContact O-CG 3.48Å; T131-K135 PolarHBondContact O-N 2.85Å; T131-W172 HydrophobicContact CG2-CG 4.41Å; T131-D197 WeakPolarHBondContact CA-OD1 3.45Å; T131-D197 WeakPolarHBondContact CB-OD2 3.21Å
132	E	98.4	Very high	96.9	Very high	39 Å²	39	42 Å²	42	18%	0.182	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-38.8	174.7	-68.5	-161.5	100.3	0	0	112.1	E134 K135 F136 S194 A196 D197 D339	E132-E134 VanDerWaalsContact C-N 3.3Å; E132-E134 PolarHBondContact O-N 2.95Å; E132-K135 PolarHBondContact O-N 3.34Å; E132-K135 VanDerWaalsContact O-N 3.15Å; E132-F136 HydrophobicContact CB-CD2 4.13Å; E132-F136 HydrophobicContact CB-CE2 3.94Å; E132-F136 WeakPolarHBondContact O-CB 3.33Å; E132-F136 WeakPolarHBondContact O-CD2 3.48Å; E132-F136 WeakPolarHBondContact O-CG 3.44Å; E132-F136 PolarHBondContact O-N 3.06Å; E132-S194 WeakPolarHBondContact OE2-CB 3.03Å; E132-S194 PolarHBondContact OE2-OG 2.89Å; E132-A196 WeakPolarHBondContact OE2-CB 3.39Å; E132-D197 PolarHBondContact N-OD1 2.73Å; E132-D197 PolarHBondContact N-OD2 3.11Å; E132-D339 WeakPolarHBondContact OE2-CA 3.47Å
133	A	98.4	Very high	96.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-57	-43	173.7	0	0	0	0	0	112.2	T131 G137 D138 N171	T131-A133 VanDerWaalsContact C-N 3.32Å; T131-A133 PolarHBondContact O-N 2.95Å; A133-G137 PolarHBondContact O-N 2.75Å; A133-D138 PolarHBondContact O-N 3.32Å; A133-N171 HydrophobicContact CB-CB 4.2Å
134	E	98.4	Very high	96.3	Very high	67 Å²	67	45.7 Å²	45.7	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-66.6	-39.7	176.3	-70.3	171.6	121.1	0	0	112.2	V130 T131 E132 G137 N171 W172	V130-E134 HydrophobicContact CG1-CB 3.57Å; T131-E134 PolarHBondContact N-OE2 3.01Å; T131-E134 PolarHBondContact O-N 2.65Å; T131-E134 WeakPolarHBondContact OG1-CG 3.16Å; T131-E134 PolarHBondContact OG1-N 2.92Å; T131-E134 PolarHBondContact OG1-OE2 3.39Å; E132-E134 VanDerWaalsContact C-N 3.3Å; E132-E134 PolarHBondContact O-N 2.95Å; E134-G137 PolarHBondContact O-N 3.43Å; E134-N171 HydrophobicContact CG-CB 3.86Å; E134-W172 PolarHBondContact OE1-NE1 3.43Å; E134-W172 PolarHBondContact OE2-NE1 2.63Å
135	K	98.2	Very high	95.9	Very high	111 Å²	111	45.8 Å²	45.8	48%	0.483	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-41.5	176.9	-70.5	164.3	-177	148.5	0	112.6	A48 V130 T131 E132	A48-K135 WeakPolarHBondContact CB-O 3.48Å; V130-K135 HydrophobicContact CG1-CG 3.98Å; V130-K135 WeakPolarHBondContact O-CE 3.16Å; V130-K135 PolarHBondContact O-NZ 2.91Å; T131-K135 WeakPolarHBondContact O-CG 3.48Å; T131-K135 PolarHBondContact O-N 2.85Å; E132-K135 PolarHBondContact O-N 3.34Å; E132-K135 VanDerWaalsContact O-N 3.15Å
136	F	97	Very high	95.7	Very high	47 Å²	47	39.1 Å²	39.1	21%	0.206	24%	0.239	C	C	.	.	H	α-helix	trans	-71.8	-33.4	176.6	-71.1	-57	0	0	0	111.6	R46 E132 D339	R46-F136 HydrophobicContact CB-CD1 3.98Å; R46-F136 HydrophobicContact CB-CE1 4.43Å; R46-F136 HydrophobicContact CB-CG 4.42Å; E132-F136 HydrophobicContact CB-CD2 4.13Å; E132-F136 HydrophobicContact CB-CE2 3.94Å; E132-F136 WeakPolarHBondContact O-CB 3.33Å; E132-F136 WeakPolarHBondContact O-CD2 3.48Å; E132-F136 WeakPolarHBondContact O-CG 3.44Å; E132-F136 PolarHBondContact O-N 3.06Å; F136-D339 HydrophobicContact CE2-CB 4.16Å; F136-D339 HydrophobicContact CZ-CB 4.34Å
137	G	96.3	Very high	95.4	Very high	29 Å²	29	37.7 Å²	37.7	30%	0.299	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	4	-179.3	0	0	0	0	0	114.1	A133 E134 K168 G169	A133-G137 PolarHBondContact O-N 2.75Å; E134-G137 PolarHBondContact O-N 3.43Å; G137-K168 CarbonylContact O-C 3.41Å; G137-K168 WeakPolarHBondContact O-CA 3.31Å; G137-G169 PolarHBondContact O-N 3.25Å
138	D	95.8	Very high	95	Very high	30 Å²	30	41 Å²	41	16%	0.16	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	161	174.1	66.9	67.2	0	0	0	112.2	R46 A133 V167	R46-D138 WeakPolarHBondContact CD-OD1 3.3Å; R46-D138 IonicContact CZ-OD1 3.52Å; R46-D138 IonicContact NE-OD1 3.21Å; R46-D138 PolarHBondContact NE-OD1 2.72Å; R46-D138 IonicContact NH1-OD1 2.72Å; R46-D138 IonicContact NH2-OD1 3.91Å; A133-D138 PolarHBondContact O-N 3.32Å; D138-V167 VanDerWaalsContact CA-O 3.29Å; D138-V167 WeakPolarHBondContact CA-O 3.45Å; D138-V167 WeakPolarHBondContact CB-O 3.24Å
139	S	97.6	Very high	94.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	162	170.7	-170.3	0	0	0	0	110.7	V167 A170 H192 S341	S139-V167 PolarHBondContact N-O 2.8Å; S139-V167 PolarHBondContact O-N 2.07Å; S139-A170 WeakPolarHBondContact CB-O 3.43Å; S139-H192 VanDerWaalsContact CB-ND1 3.35Å; S139-H192 WeakPolarHBondContact CB-ND1 3.19Å; S139-H192 PolarHBondContact OG-ND1 3.43Å; S139-S341 VanDerWaalsContact OG-C 3.26Å; S139-S341 WeakPolarHBondContact OG-CB 3.09Å; S139-S341 PolarHBondContact OG-O 3.2Å; S139-S341 PolarHBondContact OG-OG 3.3Å
140	F	96.6	Very high	93.8	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	129.2	177.9	-67.8	-67.6	0	0	0	112.4	C41 V158 W164 L165 P166 H192 S341 A342 S343	C41-F140 HydrophobicContact CB-CB 4.46Å; C41-F140 HydrophobicContact CB-CD1 4.13Å; C41-F140 HydrophobicContact CB-CD2 3.19Å; C41-F140 HydrophobicContact CB-CE1 4.17Å; C41-F140 HydrophobicContact CB-CE2 3.21Å; C41-F140 HydrophobicContact CB-CG 3.68Å; C41-F140 HydrophobicContact CB-CZ 3.74Å; C41-F140 WeakPolarHBondContact O-CE2 3.46Å; C41-F140 WeakPolarHBondContact O-CZ 3.38Å; F140-V158 HydrophobicContact CD1-CG2 4.01Å; F140-V158 HydrophobicContact CE1-CG2 3.51Å; F140-V158 HydrophobicContact CZ-CG2 4.07Å; F140-W164 HydrophobicContact CB-CE3 3.81Å; F140-W164 HydrophobicContact CB-CZ3 4.25Å; F140-L165 WeakPolarHBondContact CA-O 3.45Å; F140-P166 HydrophobicContact CD1-CB 4.31Å; F140-P166 HydrophobicContact CE1-CB 4.08Å; F140-H192 PolarHBondContact O-CE1 2.55Å; F140-H192 VanDerWaalsContact O-CE1 3.31Å; F140-S341 PolarHBondContact N-O 3.37Å; F140-A342 HydrophobicContact CB-CB 4.25Å; F140-A342 CarbonylContact O-C 3.51Å; F140-A342 WeakPolarHBondContact O-CA 3.16Å; F140-S343 PolarHBondContact O-N 2.8Å
141	V	96.6	Very high	93.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.9	174.8	-170.4	0	0	0	0	109.3	I145 L146 W164 L165 V167 A170 E176	V141-I145 HydrophobicContact CG1-CD1 3.86Å; V141-I145 HydrophobicContact CG1-CG1 3.96Å; V141-L146 HydrophobicContact CB-CD2 3.93Å; V141-L146 HydrophobicContact CG1-CD2 3.45Å; V141-L146 VanDerWaalsContact CG1-CD2 3.45Å; V141-L146 HydrophobicContact CG1-CG 4.08Å; V141-W164 VanDerWaalsContact C-CE3 3.42Å; V141-L165 PolarHBondContact N-O 2.93Å; V141-L165 PolarHBondContact O-N 3.03Å; V141-V167 HydrophobicContact CB-CB 4.41Å; V141-V167 HydrophobicContact CB-CG2 3.67Å; V141-V167 HydrophobicContact CG2-CB 3.75Å; V141-V167 HydrophobicContact CG2-CG1 4.48Å; V141-V167 HydrophobicContact CG2-CG2 3.57Å; V141-A170 HydrophobicContact CG2-CB 3.58Å; V141-E176 HydrophobicContact CG1-CG 4.49Å
142	F	94.5	Very high	92.3	Very high	3 Å²	3	43.5 Å²	43.5	1%	0.013	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.3	175.4	173.6	-121.9	0	0	0	111.4	G144 I145 W163 W164 W245 F249 P250 M319 S343	F142-G144 VanDerWaalsContact C-N 3.26Å; F142-G144 VanDerWaalsContact CE1-CA 3.45Å; F142-G144 PolarHBondContact O-N 3.36Å; F142-I145 HydrophobicContact CB-CD1 4.4Å; F142-I145 HydrophobicContact CB-CG1 4.11Å; F142-I145 HydrophobicContact CD1-CG1 4.27Å; F142-I145 HydrophobicContact CD1-CG2 4.06Å; F142-I145 WeakPolarHBondContact O-CG1 3.14Å; F142-I145 PolarHBondContact O-N 3.13Å; F142-W163 CarbonylContact C-O 3.32Å; F142-W163 WeakPolarHBondContact CA-O 3.4Å; F142-W163 HydrophobicContact CD2-CB 3.92Å; F142-W163 AromaticContact CD2-CD1 3.74Å; F142-W163 HydrophobicContact CD2-CG 4.09Å; F142-W163 HydrophobicContact CE2-CB 3.7Å; F142-W163 AromaticContact CE2-CD1 3.87Å; F142-W163 AromaticContact CE2-CG 3.88Å; F142-W163 HydrophobicContact CE2-CG 3.88Å; F142-W164 HydrophobicContact CB-CH2 4.43Å; F142-W164 HydrophobicContact CB-CZ3 4.21Å; F142-W245 AromaticContact CE1-CH2 3.78Å; F142-W245 HydrophobicContact CE1-CH2 3.78Å; F142-W245 AromaticContact CE1-CZ3 3.54Å; F142-W245 HydrophobicContact CE1-CZ3 3.54Å; F142-W245 AromaticContact CZ-CH2 3.64Å; F142-W245 HydrophobicContact CZ-CH2 3.64Å; F142-W245 AromaticContact CZ-CZ3 3.67Å; F142-W245 HydrophobicContact CZ-CZ3 3.67Å; F142-F249 HydrophobicContact CE2-CE2 4.27Å; F142-F249 HydrophobicContact CE2-CZ 4.42Å; F142-F249 HydrophobicContact CZ-CE2 4.42Å; F142-P250 HydrophobicContact CE2-CB 3.92Å; F142-P250 HydrophobicContact CZ-CB 4.05Å; F142-M319 HydrophobicContact CB-CE 3.65Å; F142-M319 HydrophobicContact CB-SD 3.81Å; F142-M319 HydrophobicContact CD1-CE 4.24Å; F142-M319 HydrophobicContact CD2-CE 3.26Å; F142-M319 HydrophobicContact CD2-SD 4.46Å; F142-M319 HydrophobicContact CE2-CE 3.9Å; F142-M319 HydrophobicContact CG-CE 3.45Å; F142-M319 VanDerWaalsContact CG-CE 3.45Å; F142-M319 HydrophobicContact CG-SD 4.07Å; F142-S343 PolarHBondContact N-OG 2.76Å
143	E	92.1	Very high	91.5	Very high	82 Å²	82	48.6 Å²	48.6	38%	0.383	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-56.1	-38.4	-177.2	-177.5	179.8	-170.4	0	0	113	I145 L146 K151 W163 L165	E143-I145 PolarHBondContact O-N 3.24Å; E143-I145 VanDerWaalsContact O-N 3.08Å; E143-L146 PolarHBondContact O-N 3.23Å; E143-L146 VanDerWaalsContact O-N 3.14Å; E143-K151 HydrophobicContact CG-CD 4.39Å; E143-K151 WeakPolarHBondContact O-CE 3.39Å; E143-W163 HydrophobicContact CB-CB 4.35Å; E143-W163 PolarHBondContact N-O 3Å; E143-L165 HydrophobicContact CB-CD1 3.87Å; E143-L165 HydrophobicContact CB-CG 4.27Å; E143-L165 HydrophobicContact CG-CD1 3.87Å
144	G	89.3	Confident	90.6	Very high	52 Å²	52	50.2 Å²	50.2	54%	0.536	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-66.6	-9.5	-176.9	0	0	0	0	0	115.2	F142	F142-G144 VanDerWaalsContact C-N 3.26Å; F142-G144 VanDerWaalsContact CE1-CA 3.45Å; F142-G144 PolarHBondContact O-N 3.36Å
145	I	89.4	Confident	89.4	Confident	28 Å²	28	53.5 Å²	53.5	14%	0.144	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-111.8	1.6	176.9	59.9	167.4	0	0	0	113.5	V141 F142 E143 E176 K261	V141-I145 HydrophobicContact CG1-CD1 3.86Å; V141-I145 HydrophobicContact CG1-CG1 3.96Å; F142-I145 HydrophobicContact CB-CD1 4.4Å; F142-I145 HydrophobicContact CB-CG1 4.11Å; F142-I145 HydrophobicContact CD1-CG1 4.27Å; F142-I145 HydrophobicContact CD1-CG2 4.06Å; F142-I145 WeakPolarHBondContact O-CG1 3.14Å; F142-I145 PolarHBondContact O-N 3.13Å; E143-I145 PolarHBondContact O-N 3.24Å; E143-I145 VanDerWaalsContact O-N 3.08Å; I145-E176 HydrophobicContact CD1-CG 3.93Å; I145-E176 HydrophobicContact CG1-CG 4.29Å; I145-K261 HydrophobicContact CG2-CD 4.48Å; I145-K261 HydrophobicContact CG2-CG 4.01Å
146	L	90.8	Very high	88.4	Confident	12 Å²	12	53.7 Å²	53.7	6%	0.063	31%	0.307	C	S	.	.			trans	-84	145.4	179.7	-67	-179.8	0	0	0	112.4	V141 E143 V150 K151 I154 L165 V167 E176	V141-L146 HydrophobicContact CB-CD2 3.93Å; V141-L146 HydrophobicContact CG1-CD2 3.45Å; V141-L146 VanDerWaalsContact CG1-CD2 3.45Å; V141-L146 HydrophobicContact CG1-CG 4.08Å; E143-L146 PolarHBondContact O-N 3.23Å; E143-L146 VanDerWaalsContact O-N 3.14Å; L146-V150 HydrophobicContact CD1-CG1 4.26Å; L146-V150 HydrophobicContact CD2-CG1 3.9Å; L146-K151 HydrophobicContact CB-CD 4.37Å; L146-K151 HydrophobicContact CB-CG 3.67Å; L146-K151 HydrophobicContact CD1-CG 4.13Å; L146-K151 VanDerWaalsContact O-CE 3.28Å; L146-K151 WeakPolarHBondContact O-CE 3.39Å; L146-I154 HydrophobicContact CD1-CD1 4Å; L146-L165 HydrophobicContact CD1-CB 4.28Å; L146-L165 HydrophobicContact CD1-CD1 3.7Å; L146-V167 HydrophobicContact CD1-CG2 3.97Å; L146-V167 HydrophobicContact CD2-CG2 4.04Å; L146-E176 HydrophobicContact CD2-CB 4.36Å; L146-E176 WeakPolarHBondContact CD2-O 3.44Å
147	S	88.2	Confident	87.4	Confident	39 Å²	39	53.6 Å²	53.6	27%	0.273	32%	0.315	S	S	.	.			trans	-68.4	152	166	66.6	0	0	0	0	110.7	S149 V150 K151 D179	S147-S149 PolarHBondContact O-N 3.21Å; S147-S149 PolarHBondContact OG-OG 2.92Å; S147-V150 PolarHBondContact O-N 3.45Å; S147-V150 VanDerWaalsContact O-N 3.12Å; S147-V150 WeakPolarHBondContact OG-CG2 3.4Å; S147-V150 PolarHBondContact OG-N 2.88Å; S147-K151 WeakPolarHBondContact O-CG 3.29Å; S147-K151 PolarHBondContact O-N 3.02Å; S147-D179 WeakPolarHBondContact CB-OD2 3.38Å; S147-D179 PolarHBondContact OG-OD2 3.31Å
148	E	86	Confident	86.4	Confident	136 Å²	136	52.5 Å²	52.5	64%	0.636	30%	0.302	S	S	*	.	H	α-helix	trans	-60.6	-32.2	176.3	-67.2	-55.8	126.5	0	0	112.2	V150 K151 S152	E148-V150 PolarHBondContact O-N 2.84Å; E148-K151 PolarHBondContact O-N 2.88Å; E148-K151 IonicContact OE1-NZ 2.73Å; E148-K151 PolarHBondContact OE1-NZ 3.27Å; E148-S152 WeakPolarHBondContact O-CB 3.38Å; E148-S152 PolarHBondContact O-N 3.22Å
149	S	84.6	Confident	85.1	Confident	67 Å²	67	55.6 Å²	55.6	47%	0.469	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-44.4	173.8	38.4	0	0	0	0	112.4	S147 S152 Q153	S147-S149 PolarHBondContact O-N 3.21Å; S147-S149 PolarHBondContact OG-OG 2.92Å; S149-S152 PolarHBondContact O-OG 3.36Å; S149-Q153 PolarHBondContact O-NE2 2.99Å
150	V	84.3	Confident	83.9	Confident	17 Å²	17	57.8 Å²	57.8	10%	0.103	35%	0.35	C	S	.	.	H	α-helix	trans	-71.6	-45.3	178.6	173.4	0	0	0	0	110.8	L146 S147 E148 S152 Q153 I154 V167 D179	L146-V150 HydrophobicContact CD1-CG1 4.26Å; L146-V150 HydrophobicContact CD2-CG1 3.9Å; S147-V150 PolarHBondContact O-N 3.45Å; S147-V150 VanDerWaalsContact O-N 3.12Å; S147-V150 WeakPolarHBondContact OG-CG2 3.4Å; S147-V150 PolarHBondContact OG-N 2.88Å; E148-V150 PolarHBondContact O-N 2.84Å; V150-S152 VanDerWaalsContact C-N 3.29Å; V150-S152 PolarHBondContact O-N 3.32Å; V150-Q153 PolarHBondContact O-N 3.39Å; V150-Q153 VanDerWaalsContact O-N 3.14Å; V150-I154 HydrophobicContact CG1-CD1 4.11Å; V150-V167 HydrophobicContact CG1-CG1 3.64Å; V150-V167 HydrophobicContact CG1-CG2 4.19Å; V150-D179 WeakPolarHBondContact CG2-OD1 3.39Å
151	K	84.1	Confident	83.2	Confident	52 Å²	52	57.6 Å²	57.6	23%	0.226	35%	0.349	C	S	.	.	H	α-helix	trans	-56.3	-42	179.2	-70	-179.7	-168.4	164.4	0	112.7	E143 L146 S147 E148 Q153 I154	E143-K151 HydrophobicContact CG-CD 4.39Å; E143-K151 WeakPolarHBondContact O-CE 3.39Å; L146-K151 HydrophobicContact CB-CD 4.37Å; L146-K151 HydrophobicContact CB-CG 3.67Å; L146-K151 HydrophobicContact CD1-CG 4.13Å; L146-K151 VanDerWaalsContact O-CE 3.28Å; L146-K151 WeakPolarHBondContact O-CE 3.39Å; S147-K151 WeakPolarHBondContact O-CG 3.29Å; S147-K151 PolarHBondContact O-N 3.02Å; E148-K151 PolarHBondContact O-N 2.88Å; E148-K151 IonicContact OE1-NZ 2.73Å; E148-K151 PolarHBondContact OE1-NZ 3.27Å; K151-Q153 PolarHBondContact O-N 2.91Å; K151-I154 PolarHBondContact O-N 2.89Å; K151-I154 VanDerWaalsContact O-N 3.07Å
152	S	82.1	Confident	82.7	Confident	98 Å²	98	61 Å²	61	69%	0.685	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.3	-177.9	72.2	0	0	0	0	114.5	E148 S149 V150	E148-S152 WeakPolarHBondContact O-CB 3.38Å; E148-S152 PolarHBondContact O-N 3.22Å; S149-S152 PolarHBondContact O-OG 3.36Å; V150-S152 VanDerWaalsContact C-N 3.29Å; V150-S152 PolarHBondContact O-N 3.32Å
153	Q	80.4	Confident	82.4	Confident	145 Å²	145	62.5 Å²	62.5	68%	0.678	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-5.6	-178.3	-59.7	178.2	23.7	0	0	113.2	S149 V150 K151	S149-Q153 PolarHBondContact O-NE2 2.99Å; V150-Q153 PolarHBondContact O-N 3.39Å; V150-Q153 VanDerWaalsContact O-N 3.14Å; K151-Q153 PolarHBondContact O-N 2.91Å
154	I	81.1	Confident	82.4	Confident	36 Å²	36	58.8 Å²	58.8	19%	0.185	36%	0.359	C	S	.	.			trans	-104.6	127.8	-170.3	-58.3	167.9	0	0	0	109.9	L146 V150 K151 Q156 L165 V167	L146-I154 HydrophobicContact CD1-CD1 4Å; V150-I154 HydrophobicContact CG1-CD1 4.11Å; K151-I154 PolarHBondContact O-N 2.89Å; K151-I154 VanDerWaalsContact O-N 3.07Å; I154-Q156 WeakPolarHBondContact CG2-O 3.49Å; I154-L165 HydrophobicContact CD1-CB 3.93Å; I154-L165 HydrophobicContact CD1-CD1 4.02Å; I154-L165 HydrophobicContact CG2-CB 4.18Å; I154-L165 HydrophobicContact CG2-CD1 4.49Å; I154-L165 HydrophobicContact CG2-CD2 4.09Å; I154-L165 HydrophobicContact CG2-CG 4.48Å; I154-V167 HydrophobicContact CD1-CG2 3.74Å
155	T	73.3	Confident	82.6	Confident	136 Å²	136	57 Å²	57	83%	0.834	34%	0.337	S	S	*	.			trans	-116.8	-1.8	-179.5	55.9	0	0	0	0	113.2
156	Q	76	Confident	82.8	Confident	115 Å²	115	56.6 Å²	56.6	54%	0.537	34%	0.337	S	S	.	.			trans	-128	142.2	-175.2	-62.2	-177.6	1.9	0	0	110.3	I154 P166	I154-Q156 WeakPolarHBondContact CG2-O 3.49Å; Q156-P166 HydrophobicContact CB-CG 4.25Å; Q156-P166 WeakPolarHBondContact O-CD 3.35Å
157	A	76.2	Confident	83	Confident	45 Å²	45	56.2 Å²	56.2	37%	0.372	34%	0.335	S	S	.	.			trans	-139.2	158.4	176.1	0	0	0	0	0	109.9	A159 P162 L165	A157-A159 PolarHBondContact O-N 3.04Å; A157-P162 WeakPolarHBondContact CB-O 3.45Å; A157-L165 HydrophobicContact CB-CD2 3.71Å
158	V	75.9	Confident	83.3	Confident	6 Å²	6	61.9 Å²	61.9	4%	0.036	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-71.8	118.5	175.2	180	0	0	0	0	109.4	C41 F140 A160 A161 P162 W164	C41-V158 HydrophobicContact CB-CG2 4.22Å; F140-V158 HydrophobicContact CD1-CG2 4.01Å; F140-V158 HydrophobicContact CE1-CG2 3.51Å; F140-V158 HydrophobicContact CZ-CG2 4.07Å; V158-A160 VanDerWaalsContact C-N 3.26Å; V158-A160 PolarHBondContact O-N 2.84Å; V158-A160 VanDerWaalsContact O-N 3.15Å; V158-A161 CarbonylContact O-C 3.54Å; V158-A161 PolarHBondContact O-N 3.3Å; V158-P162 WeakPolarHBondContact O-CA 3.42Å; V158-W164 HydrophobicContact CB-CB 4.17Å; V158-W164 HydrophobicContact CG2-CB 3.84Å; V158-W164 PolarHBondContact N-O 2.86Å; V158-W164 VanDerWaalsContact N-O 3.16Å
159	A	68.8	Low	83.7	Confident	95 Å²	95	56.5 Å²	56.5	79%	0.785	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-36.2	-174.9	0	0	0	0	0	114.4	A157 A161	A157-A159 PolarHBondContact O-N 3.04Å; A159-A161 VanDerWaalsContact C-N 3.33Å
160	A	71.7	Confident	84.4	Confident	45 Å²	45	53.3 Å²	53.3	37%	0.372	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-18.4	179.5	0	0	0	0	0	113.6	V158	V158-A160 VanDerWaalsContact C-N 3.26Å; V158-A160 PolarHBondContact O-N 2.84Å; V158-A160 VanDerWaalsContact O-N 3.15Å
161	A	81.7	Confident	85	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-152.1	80.5	-176.7	0	0	0	0	0	109.1	V158 A159 W163 W164	V158-A161 CarbonylContact O-C 3.54Å; V158-A161 PolarHBondContact O-N 3.3Å; A159-A161 VanDerWaalsContact C-N 3.33Å; A161-W163 HydrophobicContact CB-CH2 4.38Å; A161-W163 HydrophobicContact CB-CZ2 3.65Å; A161-W163 PolarHBondContact O-N 3.47Å; A161-W164 PolarHBondContact O-N 3.25Å
162	P	86.1	Confident	85.7	Confident	71 Å²	71	51.5 Å²	51.5	46%	0.461	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.8	-168.4	-27.5	35.9	0	0	0	115.2	A157 V158 W164	A157-P162 WeakPolarHBondContact CB-O 3.45Å; V158-P162 WeakPolarHBondContact O-CA 3.42Å; P162-W164 PolarHBondContact O-N 2.97Å
163	W	89	Confident	86.5	Confident	36 Å²	36	49.1 Å²	49.1	14%	0.136	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-0.5	175.7	54.4	75	0	0	0	113.8	F142 E143 A161 F249 P250 Y324	F142-W163 CarbonylContact C-O 3.32Å; F142-W163 WeakPolarHBondContact CA-O 3.4Å; F142-W163 HydrophobicContact CD2-CB 3.92Å; F142-W163 AromaticContact CD2-CD1 3.74Å; F142-W163 HydrophobicContact CD2-CG 4.09Å; F142-W163 HydrophobicContact CE2-CB 3.7Å; F142-W163 AromaticContact CE2-CD1 3.87Å; F142-W163 AromaticContact CE2-CG 3.88Å; F142-W163 HydrophobicContact CE2-CG 3.88Å; E143-W163 HydrophobicContact CB-CB 4.35Å; E143-W163 PolarHBondContact N-O 3Å; A161-W163 HydrophobicContact CB-CH2 4.38Å; A161-W163 HydrophobicContact CB-CZ2 3.65Å; A161-W163 PolarHBondContact O-N 3.47Å; W163-F249 HydrophobicContact CD2-CE1 4.08Å; W163-F249 HydrophobicContact CD2-CZ 4.14Å; W163-F249 AromaticContact CE2-CE1 3.71Å; W163-F249 AromaticContact CE2-CZ 3.72Å; W163-F249 HydrophobicContact CE3-CE1 4.39Å; W163-F249 HydrophobicContact CG-CZ 4.39Å; W163-F249 HydrophobicContact CH2-CE1 4.05Å; W163-F249 AromaticContact CZ2-CE1 3.72Å; W163-F249 HydrophobicContact CZ2-CE1 3.72Å; W163-F249 HydrophobicContact CZ2-CZ 4.12Å; W163-F249 HydrophobicContact CZ3-CE1 4.36Å; W163-F249 AromaticContact NE1-CZ 3.69Å; W163-P250 HydrophobicContact CB-CB 4.34Å; W163-P250 HydrophobicContact CD2-CB 4.22Å; W163-P250 HydrophobicContact CD2-CG 4.32Å; W163-P250 HydrophobicContact CE3-CB 4.21Å; W163-P250 HydrophobicContact CE3-CG 3.8Å; W163-P250 HydrophobicContact CG-CB 4.28Å; W163-P250 HydrophobicContact CZ3-CG 4.42Å; W163-Y324 HydrophobicContact CH2-CD2 4.02Å; W163-Y324 HydrophobicContact CH2-CE1 4.25Å; W163-Y324 AromaticContact CH2-CE2 3.55Å; W163-Y324 HydrophobicContact CH2-CE2 3.55Å; W163-Y324 AromaticContact CH2-CZ 3.73Å; W163-Y324 HydrophobicContact CZ2-CD1 4.15Å; W163-Y324 HydrophobicContact CZ2-CD2 4.25Å; W163-Y324 AromaticContact CZ2-CE1 3.52Å; W163-Y324 HydrophobicContact CZ2-CE1 3.52Å; W163-Y324 AromaticContact CZ2-CE2 3.63Å; W163-Y324 HydrophobicContact CZ2-CE2 3.63Å; W163-Y324 AromaticContact CZ2-CZ 3.25Å; W163-Y324 WeakPolarHBondContact CZ2-OH 3.35Å
164	W	92	Very high	87.3	Confident	3 Å²	3	44.9 Å²	44.9	1%	0.011	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.3	170.5	-79.2	117.3	0	0	0	110.9	F140 V141 F142 V158 A161 P162 M319 A342 S343 N344	F140-W164 HydrophobicContact CB-CE3 3.81Å; F140-W164 HydrophobicContact CB-CZ3 4.25Å; V141-W164 VanDerWaalsContact C-CE3 3.42Å; F142-W164 HydrophobicContact CB-CH2 4.43Å; F142-W164 HydrophobicContact CB-CZ3 4.21Å; V158-W164 HydrophobicContact CB-CB 4.17Å; V158-W164 HydrophobicContact CG2-CB 3.84Å; V158-W164 PolarHBondContact N-O 2.86Å; V158-W164 VanDerWaalsContact N-O 3.16Å; A161-W164 PolarHBondContact O-N 3.25Å; P162-W164 PolarHBondContact O-N 2.97Å; W164-M319 HydrophobicContact CH2-CE 4Å; W164-M319 HydrophobicContact CH2-SD 3.47Å; W164-M319 WeakPolarHBondContact CH2-SD 3.39Å; W164-M319 HydrophobicContact CZ2-CE 3.49Å; W164-M319 VanDerWaalsContact CZ2-CE 3.49Å; W164-M319 HydrophobicContact CZ2-SD 3.4Å; W164-M319 WeakPolarHBondContact CZ2-SD 3.35Å; W164-M319 HydrophobicContact CZ3-SD 4.48Å; W164-A342 HydrophobicContact CH2-CB 4.07Å; W164-A342 HydrophobicContact CZ3-CB 4.13Å; W164-S343 WeakPolarHBondContact CZ3-OG 3.35Å; W164-N344 HydrophobicContact CH2-CB 4.2Å; W164-N344 VanDerWaalsContact CH2-OD1 3.31Å; W164-N344 WeakPolarHBondContact CH2-OD1 3.48Å; W164-N344 WeakPolarHBondContact CZ2-OD1 3.47Å
165	L	93.4	Very high	88.1	Confident	14 Å²	14	43.3 Å²	43.3	7%	0.073	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.5	-174.7	-61.4	-177	0	0	0	110.7	F140 V141 E143 L146 I154 A157 V167	F140-L165 WeakPolarHBondContact CA-O 3.45Å; V141-L165 PolarHBondContact N-O 2.93Å; V141-L165 PolarHBondContact O-N 3.03Å; E143-L165 HydrophobicContact CB-CD1 3.87Å; E143-L165 HydrophobicContact CB-CG 4.27Å; E143-L165 HydrophobicContact CG-CD1 3.87Å; L146-L165 HydrophobicContact CD1-CB 4.28Å; L146-L165 HydrophobicContact CD1-CD1 3.7Å; I154-L165 HydrophobicContact CD1-CB 3.93Å; I154-L165 HydrophobicContact CD1-CD1 4.02Å; I154-L165 HydrophobicContact CG2-CB 4.18Å; I154-L165 HydrophobicContact CG2-CD1 4.49Å; I154-L165 HydrophobicContact CG2-CD2 4.09Å; I154-L165 HydrophobicContact CG2-CG 4.48Å; A157-L165 HydrophobicContact CB-CD2 3.71Å; L165-V167 HydrophobicContact CB-CG2 4.46Å; L165-V167 PolarHBondContact O-N 2.84Å
166	P	93.7	Very high	89.2	Confident	21 Å²	21	37.5 Å²	37.5	14%	0.136	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	102.9	173.1	31.2	-30	0	0	0	109.4	L44 F140 Q156	L44-P166 HydrophobicContact CD1-CG 4.46Å; F140-P166 HydrophobicContact CD1-CB 4.31Å; F140-P166 HydrophobicContact CE1-CB 4.08Å; Q156-P166 HydrophobicContact CB-CG 4.25Å; Q156-P166 WeakPolarHBondContact O-CD 3.35Å
167	V	94.6	Very high	90.1	Very high	3 Å²	3	32 Å²	32	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.3	-175.9	179.7	0	0	0	0	109.9	D138 S139 V141 L146 V150 I154 L165 G169 A170	D138-V167 VanDerWaalsContact CA-O 3.29Å; D138-V167 WeakPolarHBondContact CA-O 3.45Å; D138-V167 WeakPolarHBondContact CB-O 3.24Å; S139-V167 PolarHBondContact N-O 2.8Å; S139-V167 PolarHBondContact O-N 2.07Å; V141-V167 HydrophobicContact CB-CB 4.41Å; V141-V167 HydrophobicContact CB-CG2 3.67Å; V141-V167 HydrophobicContact CG2-CB 3.75Å; V141-V167 HydrophobicContact CG2-CG1 4.48Å; V141-V167 HydrophobicContact CG2-CG2 3.57Å; L146-V167 HydrophobicContact CD1-CG2 3.97Å; L146-V167 HydrophobicContact CD2-CG2 4.04Å; V150-V167 HydrophobicContact CG1-CG1 3.64Å; V150-V167 HydrophobicContact CG1-CG2 4.19Å; I154-V167 HydrophobicContact CD1-CG2 3.74Å; L165-V167 HydrophobicContact CB-CG2 4.46Å; L165-V167 PolarHBondContact O-N 2.84Å; V167-G169 PolarHBondContact O-N 3.18Å; V167-A170 HydrophobicContact CB-CB 3.73Å; V167-A170 HydrophobicContact CG1-CB 3.91Å; V167-A170 WeakPolarHBondContact O-CB 3.45Å; V167-A170 PolarHBondContact O-N 3.19Å
168	K	94.1	Very high	90.7	Very high	158 Å²	158	36.8 Å²	36.8	69%	0.687	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	132.5	175.2	-70.7	-173.4	177.5	-176.9	0	111.3	G137 A170	G137-K168 CarbonylContact O-C 3.41Å; G137-K168 WeakPolarHBondContact O-CA 3.31Å; K168-A170 PolarHBondContact O-N 3.35Å
169	G	95.6	Very high	91.4	Very high	23 Å²	23	40.7 Å²	40.7	24%	0.237	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	1.5	-177.1	0	0	0	0	0	114.5	G137 V167 N171	G137-G169 PolarHBondContact O-N 3.25Å; V167-G169 PolarHBondContact O-N 3.18Å; G169-N171 PolarHBondContact O-N 3.06Å; G169-N171 PolarHBondContact O-ND2 3.18Å
170	A	97.9	Very high	92.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.			trans	-71.1	123.4	171.2	0	0	0	0	0	110.2	S139 V141 V167 K168 H174	S139-A170 WeakPolarHBondContact CB-O 3.43Å; V141-A170 HydrophobicContact CG2-CB 3.58Å; V167-A170 HydrophobicContact CB-CB 3.73Å; V167-A170 HydrophobicContact CG1-CB 3.91Å; V167-A170 WeakPolarHBondContact O-CB 3.45Å; V167-A170 PolarHBondContact O-N 3.19Å; K168-A170 PolarHBondContact O-N 3.35Å; A170-H174 WeakPolarHBondContact CA-O 3.48Å
171	N	98.5	Very high	93.8	Very high	18 Å²	18	37.8 Å²	37.8	10%	0.096	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-157.5	-173.5	-179	62.1	47	0	0	0	109.9	A133 E134 G169 N173 H174 P175 H192	A133-N171 HydrophobicContact CB-CB 4.2Å; E134-N171 HydrophobicContact CG-CB 3.86Å; G169-N171 PolarHBondContact O-N 3.06Å; G169-N171 PolarHBondContact O-ND2 3.18Å; N171-N173 PolarHBondContact O-N 3.23Å; N171-N173 WeakPolarHBondContact OD1-CA 3.38Å; N171-N173 PolarHBondContact OD1-N 3.47Å; N171-H174 PolarHBondContact N-O 2.93Å; N171-H174 CarbonylContact O-C 3.09Å; N171-H174 PolarHBondContact O-N 2.91Å; N171-H174 VanDerWaalsContact O-N 3.16Å; N171-H174 PolarHBondContact OD1-N 2.92Å; N171-P175 WeakPolarHBondContact O-CA 3.3Å; N171-H192 PolarHBondContact O-CD2 2.94Å; N171-H192 VanDerWaalsContact O-CD2 3.25Å
172	W	98.4	Very high	94.5	Very high	14 Å²	14	38 Å²	38	5%	0.053	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.2	-176.3	73.2	-87.7	0	0	0	113.7	T117 F120 Q121 I124 T131 E134 I182 V190 V191	T117-W172 HydrophobicContact CG2-CE3 4.46Å; T117-W172 HydrophobicContact CG2-CZ3 4.49Å; F120-W172 HydrophobicContact CD1-CB 4.46Å; F120-W172 AromaticContact CD1-CD2 3.87Å; F120-W172 HydrophobicContact CD1-CD2 3.87Å; F120-W172 HydrophobicContact CD1-CE3 4.03Å; F120-W172 HydrophobicContact CD1-CG 4.05Å; F120-W172 HydrophobicContact CE1-CB 4.35Å; F120-W172 HydrophobicContact CE1-CD2 4.07Å; F120-W172 AromaticContact CE1-CG 3.88Å; F120-W172 HydrophobicContact CE1-CG 3.88Å; Q121-W172 HydrophobicContact CB-CH2 4.09Å; Q121-W172 HydrophobicContact CB-CZ3 3.93Å; Q121-W172 HydrophobicContact CG-CH2 4.06Å; Q121-W172 HydrophobicContact CG-CZ3 4.31Å; I124-W172 HydrophobicContact CB-CZ2 4.16Å; I124-W172 HydrophobicContact CG1-CH2 4.38Å; I124-W172 HydrophobicContact CG1-CZ2 3.83Å; I124-W172 HydrophobicContact CG2-CZ2 3.99Å; T131-W172 HydrophobicContact CG2-CG 4.41Å; E134-W172 PolarHBondContact OE1-NE1 3.43Å; E134-W172 PolarHBondContact OE2-NE1 2.63Å; W172-I182 HydrophobicContact CE3-CD1 4.41Å; W172-I182 HydrophobicContact CZ3-CD1 3.76Å; W172-I182 WeakPolarHBondContact O-CG2 3.33Å; W172-V190 HydrophobicContact CB-CG2 3.87Å; W172-V191 WeakPolarHBondContact CA-O 3.5Å; W172-V191 WeakPolarHBondContact CB-O 3.35Å
173	N	98.1	Very high	94.8	Very high	47 Å²	47	38 Å²	38	25%	0.251	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-19	179.1	-167.7	57.2	0	0	0	113	N171 I182	N171-N173 PolarHBondContact O-N 3.23Å; N171-N173 WeakPolarHBondContact OD1-CA 3.38Å; N171-N173 PolarHBondContact OD1-N 3.47Å; N173-I182 WeakPolarHBondContact OD1-CD1 3.38Å; N173-I182 WeakPolarHBondContact OD1-CG1 3.15Å
174	H	97.8	Very high	95.1	Very high	56 Å²	56	41.8 Å²	41.8	26%	0.259	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-132.9	70.5	-179.9	-63.7	-72	0	0	0	110.4	A170 N171 E176 G177 S180	A170-H174 WeakPolarHBondContact CA-O 3.48Å; N171-H174 PolarHBondContact N-O 2.93Å; N171-H174 CarbonylContact O-C 3.09Å; N171-H174 PolarHBondContact O-N 2.91Å; N171-H174 VanDerWaalsContact O-N 3.16Å; N171-H174 PolarHBondContact OD1-N 2.92Å; H174-E176 VanDerWaalsContact C-N 3.28Å; H174-E176 PolarHBondContact O-N 2.9Å; H174-G177 WeakPolarHBondContact CB-O 3.31Å; H174-G177 PolarHBondContact O-N 2.87Å; H174-S180 WeakPolarHBondContact CA-OG 3.32Å; H174-S180 PolarHBondContact ND1-O 3.43Å
175	P	97.3	Very high	95.2	Very high	4 Å²	4	43 Å²	43	3%	0.026	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-19.5	-165.6	-22.6	36	0	0	0	115.9	N171 I182 V191 H192	N171-P175 WeakPolarHBondContact O-CA 3.3Å; P175-I182 HydrophobicContact CG-CG2 4.06Å; P175-V191 HydrophobicContact CB-CG2 4.02Å; P175-V191 HydrophobicContact CG-CG2 4.4Å; P175-H192 WeakPolarHBondContact CA-NE2 3.46Å; P175-H192 PolarHBondContact O-NE2 2.88Å
176	E	96.6	Very high	95.3	Very high	13 Å²	13	44 Å²	44	6%	0.061	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	7.8	174.2	-62.6	87.7	177.3	0	0	113.2	V141 I145 L146 H174 S180 R185 K261	V141-E176 HydrophobicContact CG1-CG 4.49Å; I145-E176 HydrophobicContact CD1-CG 3.93Å; I145-E176 HydrophobicContact CG1-CG 4.29Å; L146-E176 HydrophobicContact CD2-CB 4.36Å; L146-E176 WeakPolarHBondContact CD2-O 3.44Å; H174-E176 VanDerWaalsContact C-N 3.28Å; H174-E176 PolarHBondContact O-N 2.9Å; E176-S180 PolarHBondContact N-OG 3.27Å; E176-S180 VanDerWaalsContact OE2-CB 3.26Å; E176-S180 WeakPolarHBondContact OE2-CB 3.33Å; E176-R185 VanDerWaalsContact CD-NH1 3.3Å; E176-R185 IonicContact OE1-CZ 3.87Å; E176-R185 IonicContact OE1-NH1 2.93Å; E176-R185 PolarHBondContact OE1-NH1 2.67Å; E176-R185 IonicContact OE1-NH2 3.91Å; E176-R185 IonicContact OE2-CZ 3.27Å; E176-R185 VanDerWaalsContact OE2-CZ 3.27Å; E176-R185 IonicContact OE2-NH1 2.9Å; E176-R185 PolarHBondContact OE2-NH1 3.31Å; E176-R185 IonicContact OE2-NH2 2.73Å; E176-R185 PolarHBondContact OE2-NH2 2.72Å; E176-K261 IonicContact OE1-NZ 3.46Å; E176-K261 PolarHBondContact OE1-NZ 3.5Å; E176-K261 IonicContact OE2-NZ 3.3Å
177	G	94.1	Very high	95.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	106.5	-174.9	-172.8	0	0	0	0	0	112.7	H174 D179 S180	H174-G177 WeakPolarHBondContact CB-O 3.31Å; H174-G177 PolarHBondContact O-N 2.87Å; G177-D179 PolarHBondContact O-N 3.12Å; G177-S180 PolarHBondContact N-OG 3.33Å; G177-S180 WeakPolarHBondContact O-CB 3.36Å; G177-S180 PolarHBondContact O-N 2.85Å; G177-S180 PolarHBondContact O-OG 2.65Å
178	Q	90.3	Very high	95.6	Very high	146 Å²	146	45.3 Å²	45.3	68%	0.682	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-23.1	-166.1	-67	175.2	55	0	0	115.3	S180	Q178-S180 VanDerWaalsContact C-N 3.32Å
179	D	90.4	Very high	95.8	Very high	88 Å²	88	37.9 Å²	37.9	47%	0.471	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.7	177.7	61.9	-17.7	0	0	0	113.4	S147 V150 G177	S147-D179 WeakPolarHBondContact CB-OD2 3.38Å; S147-D179 PolarHBondContact OG-OD2 3.31Å; V150-D179 WeakPolarHBondContact CG2-OD1 3.39Å; G177-D179 PolarHBondContact O-N 3.12Å
180	S	94.9	Very high	95.9	Very high	13 Å²	13	36.9 Å²	36.9	9%	0.091	19%	0.19	C	C	.	.			trans	-102	161.6	176.6	74.3	0	0	0	0	112.3	H174 E176 G177 Q178	H174-S180 WeakPolarHBondContact CA-OG 3.32Å; H174-S180 PolarHBondContact ND1-O 3.43Å; E176-S180 PolarHBondContact N-OG 3.27Å; E176-S180 VanDerWaalsContact OE2-CB 3.26Å; E176-S180 WeakPolarHBondContact OE2-CB 3.33Å; G177-S180 PolarHBondContact N-OG 3.33Å; G177-S180 WeakPolarHBondContact O-CB 3.36Å; G177-S180 PolarHBondContact O-N 2.85Å; G177-S180 PolarHBondContact O-OG 2.65Å; Q178-S180 VanDerWaalsContact C-N 3.32Å
181	N	95.3	Very high	96	Very high	65 Å²	65	37.3 Å²	37.3	35%	0.348	19%	0.193	S	C	.	.			trans	-151.9	172.9	172.6	66.5	75	0	0	0	111	T183 R185	N181-T183 WeakPolarHBondContact OD1-CB 3.31Å; N181-T183 PolarHBondContact OD1-N 3.21Å; N181-T183 PolarHBondContact OD1-OG1 2.91Å; N181-R185 PolarHBondContact O-NE 3.27Å; N181-R185 PolarHBondContact O-NH2 2.79Å
182	I	95.9	Very high	96	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	19%	0.188	C	C	.	.	S	Bend	trans	-99.1	9	-176.1	57.3	166.5	0	0	0	115.3	T117 W172 N173 P175 D184 R185 L186	T117-I182 HydrophobicContact CG2-CB 3.89Å; T117-I182 HydrophobicContact CG2-CD1 3.5Å; T117-I182 VanDerWaalsContact CG2-CD1 3.5Å; T117-I182 HydrophobicContact CG2-CG1 4.29Å; T117-I182 HydrophobicContact CG2-CG2 3.88Å; W172-I182 HydrophobicContact CE3-CD1 4.41Å; W172-I182 HydrophobicContact CZ3-CD1 3.76Å; W172-I182 WeakPolarHBondContact O-CG2 3.33Å; N173-I182 WeakPolarHBondContact OD1-CD1 3.38Å; N173-I182 WeakPolarHBondContact OD1-CG1 3.15Å; P175-I182 HydrophobicContact CG-CG2 4.06Å; I182-D184 PolarHBondContact O-N 3.14Å; I182-D184 VanDerWaalsContact O-N 3.09Å; I182-R185 HydrophobicContact CB-CG 3.98Å; I182-R185 HydrophobicContact CG2-CG 4.2Å; I182-R185 PolarHBondContact O-N 3.07Å; I182-L186 HydrophobicContact CD1-CD2 3.99Å; I182-L186 HydrophobicContact CG1-CD2 4.36Å
183	T	93.9	Very high	96	Very high	69 Å²	69	35.8 Å²	35.8	42%	0.423	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.5	-168.2	-54	0	0	0	0	114	Y64 N181	Y64-T183 PolarHBondContact OH-O 2.62Å; N181-T183 WeakPolarHBondContact OD1-CB 3.31Å; N181-T183 PolarHBondContact OD1-N 3.21Å; N181-T183 PolarHBondContact OD1-OG1 2.91Å
184	D	93.4	Very high	96	Very high	116 Å²	116	33.6 Å²	33.6	62%	0.62	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	8.7	-178.5	64	-17.8	0	0	0	113.6	I182	I182-D184 PolarHBondContact O-N 3.14Å; I182-D184 VanDerWaalsContact O-N 3.09Å
185	R	94.1	Very high	96.1	Very high	28 Å²	28	33.4 Å²	33.4	11%	0.106	17%	0.171	C	C	.	.			trans	-141.1	30.7	-172.1	61.4	177.4	122	-175.8	3.5	113.7	T117 E176 N181 I182 D187 H188	T117-R185 PolarHBondContact OG1-O 3.02Å; E176-R185 VanDerWaalsContact CD-NH1 3.3Å; E176-R185 IonicContact OE1-CZ 3.87Å; E176-R185 IonicContact OE1-NH1 2.93Å; E176-R185 PolarHBondContact OE1-NH1 2.67Å; E176-R185 IonicContact OE1-NH2 3.91Å; E176-R185 IonicContact OE2-CZ 3.27Å; E176-R185 VanDerWaalsContact OE2-CZ 3.27Å; E176-R185 IonicContact OE2-NH1 2.9Å; E176-R185 PolarHBondContact OE2-NH1 3.31Å; E176-R185 IonicContact OE2-NH2 2.73Å; E176-R185 PolarHBondContact OE2-NH2 2.72Å; N181-R185 PolarHBondContact O-NE 3.27Å; N181-R185 PolarHBondContact O-NH2 2.79Å; I182-R185 HydrophobicContact CB-CG 3.98Å; I182-R185 HydrophobicContact CG2-CG 4.2Å; I182-R185 PolarHBondContact O-N 3.07Å; R185-D187 PolarHBondContact O-N 3.46Å; R185-H188 HydrophobicContact CB-CB 3.93Å; R185-H188 WeakPolarHBondContact O-CB 3.33Å; R185-H188 PolarHBondContact O-N 3.37Å; R185-H188 VanDerWaalsContact O-N 3.12Å
186	L	96.6	Very high	96.2	Very high	37 Å²	37	35 Å²	35	19%	0.194	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.1	177.9	-69.2	-178.7	0	0	0	112.8	Y64 T117 Q118 I182	Y64-L186 HydrophobicContact CE1-CB 4.14Å; T117-L186 HydrophobicContact CG2-CD2 4.29Å; T117-L186 PolarHBondContact N-O 3.44Å; Q118-L186 HydrophobicContact CB-CB 4.23Å; Q118-L186 WeakPolarHBondContact CB-O 3.32Å; Q118-L186 PolarHBondContact N-O 3.5Å; I182-L186 HydrophobicContact CD1-CD2 3.99Å; I182-L186 HydrophobicContact CG1-CD2 4.36Å
187	D	95.3	Very high	96.3	Very high	24 Å²	24	34.3 Å²	34.3	13%	0.128	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	5.5	176.5	59.6	-15	0	0	0	113.6	R185 P264 V265	R185-D187 PolarHBondContact O-N 3.46Å; D187-P264 WeakPolarHBondContact O-CA 3.44Å; D187-V265 WeakPolarHBondContact O-CG2 3.38Å; D187-V265 PolarHBondContact O-N 3.16Å
188	H	98.4	Very high	96.5	Very high	26 Å²	26	34.3 Å²	34.3	12%	0.12	18%	0.181	C	C	.	.	S	Bend	trans	-83.6	157.9	167.8	-73.6	-131.5	0	0	0	110.4	T116 T117 R185 T262 P264	T116-H188 CarbonylContact C-O 3.53Å; T116-H188 WeakPolarHBondContact CA-O 3.36Å; T117-H188 PolarHBondContact N-O 3.26Å; T117-H188 PolarHBondContact OG1-O 3.15Å; R185-H188 HydrophobicContact CB-CB 3.93Å; R185-H188 WeakPolarHBondContact O-CB 3.33Å; R185-H188 PolarHBondContact O-N 3.37Å; R185-H188 VanDerWaalsContact O-N 3.12Å; H188-T262 PolarHBondContact CE1-O 2.87Å; H188-T262 PolarHBondContact ND1-O 2.86Å; H188-T262 PolarHBondContact ND1-OG1 3.3Å; H188-P264 VanDerWaalsContact NE2-CD 3.3Å; H188-P264 WeakPolarHBondContact NE2-CD 2.97Å; H188-P264 WeakPolarHBondContact NE2-CG 2.95Å
189	P	98.6	Very high	96.9	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.019	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-58.5	140.5	172.3	26.6	-37	0	0	0	111	E114 V115 T262 S263 N281 V282	E114-P189 HydrophobicContact CB-CB 3.83Å; E114-P189 HydrophobicContact CG-CB 4.44Å; V115-P189 WeakPolarHBondContact O-CA 3.35Å; P189-T262 HydrophobicContact CG-CG2 4.05Å; P189-S263 VanDerWaalsContact CD-O 3.31Å; P189-S263 WeakPolarHBondContact CD-O 3.17Å; P189-N281 WeakPolarHBondContact CD-ND2 3.32Å; P189-N281 WeakPolarHBondContact CG-ND2 3.38Å; P189-V282 HydrophobicContact CB-CG1 4.05Å; P189-V282 HydrophobicContact CB-CG2 3.64Å; P189-V282 HydrophobicContact CG-CB 4.4Å; P189-V282 HydrophobicContact CG-CG1 3.56Å; P189-V282 HydrophobicContact CG-CG2 3.95Å
190	V	98.8	Very high	97.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-66.7	136.3	170.3	71.3	0	0	0	0	109.5	V115 F120 W172 V193 G346 F347	V115-V190 HydrophobicContact CB-CG1 4.28Å; V115-V190 HydrophobicContact CG1-CG1 4.09Å; V115-V190 WeakPolarHBondContact O-CG1 3.26Å; V115-V190 PolarHBondContact O-N 3.15Å; F120-V190 HydrophobicContact CB-CB 3.96Å; F120-V190 HydrophobicContact CB-CG1 4.11Å; F120-V190 HydrophobicContact CB-CG2 3.78Å; F120-V190 HydrophobicContact CD1-CG2 3.76Å; F120-V190 HydrophobicContact CD2-CG1 4.13Å; F120-V190 HydrophobicContact CD2-CG2 4.35Å; F120-V190 HydrophobicContact CE1-CG2 4.43Å; F120-V190 HydrophobicContact CG-CB 4.26Å; F120-V190 HydrophobicContact CG-CG1 4.17Å; F120-V190 HydrophobicContact CG-CG2 3.71Å; W172-V190 HydrophobicContact CB-CG2 3.87Å; V190-V193 HydrophobicContact CG1-CG1 4.13Å; V190-V193 HydrophobicContact CG1-CG2 4.23Å; V190-V193 HydrophobicContact CG2-CG1 3.82Å; V190-G346 WeakPolarHBondContact O-CA 3.37Å; V190-F347 HydrophobicContact CG1-CD1 4.45Å; V190-F347 HydrophobicContact CG1-CE1 3.88Å
191	V	98.8	Very high	97.4	Very high	10 Å²	10	26.4 Å²	26.4	6%	0.061	15%	0.147	C	C	.	.			trans	-124.5	175.6	177.7	-68.1	0	0	0	0	110.6	W172 P175 V193 T262 V282 L345	W172-V191 WeakPolarHBondContact CA-O 3.5Å; W172-V191 WeakPolarHBondContact CB-O 3.35Å; P175-V191 HydrophobicContact CB-CG2 4.02Å; P175-V191 HydrophobicContact CG-CG2 4.4Å; V191-V193 PolarHBondContact O-N 3.4Å; V191-T262 HydrophobicContact CG1-CG2 4.3Å; V191-V282 HydrophobicContact CG1-CG1 3.56Å; V191-L345 WeakPolarHBondContact CA-O 3.22Å
192	H	98.8	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	58.6	30.4	-173.8	-55.2	-73.5	0	0	0	114	S139 F140 N171 P175 A342 S343	S139-H192 VanDerWaalsContact CB-ND1 3.35Å; S139-H192 WeakPolarHBondContact CB-ND1 3.19Å; S139-H192 PolarHBondContact OG-ND1 3.43Å; F140-H192 PolarHBondContact O-CE1 2.55Å; F140-H192 VanDerWaalsContact O-CE1 3.31Å; N171-H192 PolarHBondContact O-CD2 2.94Å; N171-H192 VanDerWaalsContact O-CD2 3.25Å; P175-H192 WeakPolarHBondContact CA-NE2 3.46Å; P175-H192 PolarHBondContact O-NE2 2.88Å; H192-A342 PolarHBondContact N-O 3.12Å; H192-S343 WeakPolarHBondContact CE1-CA 3.4Å; H192-S343 PolarHBondContact CE1-N 3.35Å; H192-S343 WeakPolarHBondContact NE2-CA 3.34Å
193	V	98.8	Very high	97.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.			trans	-104.7	125.9	175.7	-68.7	0	0	0	0	109.1	F120 V190 V191 D197 W285 F347	F120-V193 HydrophobicContact CD2-CG1 4.4Å; F120-V193 HydrophobicContact CE1-CG1 4.01Å; F120-V193 HydrophobicContact CE2-CG1 3.85Å; F120-V193 HydrophobicContact CZ-CG1 3.63Å; V190-V193 HydrophobicContact CG1-CG1 4.13Å; V190-V193 HydrophobicContact CG1-CG2 4.23Å; V190-V193 HydrophobicContact CG2-CG1 3.82Å; V191-V193 PolarHBondContact O-N 3.4Å; V193-D197 HydrophobicContact CB-CB 4.13Å; V193-W285 PolarHBondContact O-NE1 3.46Å; V193-W285 VanDerWaalsContact O-NE1 3.12Å; V193-F347 HydrophobicContact CB-CE1 4.36Å; V193-F347 HydrophobicContact CG2-CD1 3.72Å; V193-F347 HydrophobicContact CG2-CE1 3.88Å
194	S	98.9	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.			trans	-73.4	174.1	174.7	84	0	0	0	0	111.3	E132 A196 D197 A198 P338 S340	E132-S194 WeakPolarHBondContact OE2-CB 3.03Å; E132-S194 PolarHBondContact OE2-OG 2.89Å; S194-A196 VanDerWaalsContact C-N 3.26Å; S194-A196 PolarHBondContact O-N 3.12Å; S194-A196 PolarHBondContact OG-N 3.02Å; S194-A196 VanDerWaalsContact OG-N 3.16Å; S194-D197 PolarHBondContact N-OD2 2.79Å; S194-D197 PolarHBondContact O-N 2.91Å; S194-D197 VanDerWaalsContact OG-CG 3.3Å; S194-D197 PolarHBondContact OG-N 2.74Å; S194-D197 VanDerWaalsContact OG-N 3.13Å; S194-D197 PolarHBondContact OG-OD2 2.75Å; S194-A198 WeakPolarHBondContact O-CB 3.32Å; S194-A198 PolarHBondContact O-N 3.38Å; S194-P338 WeakPolarHBondContact CB-O 3.49Å; S194-S340 WeakPolarHBondContact CA-O 3.47Å
195	W	98.9	Very high	97.6	Very high	52 Å²	52	24.5 Å²	24.5	20%	0.197	14%	0.135	C	C	.	.	H	α-helix	trans	-62.9	-38.4	172.3	-175.8	90.4	0	0	0	111.1	A198 V199 L209 W285 T286 K311 P338	W195-A198 PolarHBondContact O-N 3.15Å; W195-V199 HydrophobicContact CD2-CG2 3.96Å; W195-V199 HydrophobicContact CE3-CG2 3.93Å; W195-V199 HydrophobicContact CH2-CG2 3.66Å; W195-V199 HydrophobicContact CZ2-CG2 3.67Å; W195-V199 HydrophobicContact CZ3-CG2 3.79Å; W195-V199 WeakPolarHBondContact O-CG2 3.47Å; W195-V199 PolarHBondContact O-N 2.98Å; W195-L209 HydrophobicContact CG-CD1 4.46Å; W195-W285 HydrophobicContact CB-CD2 4Å; W195-W285 HydrophobicContact CB-CE3 4.23Å; W195-W285 HydrophobicContact CB-CG 4.45Å; W195-W285 HydrophobicContact CB-CH2 4.33Å; W195-W285 HydrophobicContact CB-CZ2 4.13Å; W195-W285 HydrophobicContact CB-CZ3 4.41Å; W195-W285 AromaticContact CD1-CE3 3.85Å; W195-W285 HydrophobicContact CG-CD2 4.46Å; W195-W285 HydrophobicContact CG-CE3 4.46Å; W195-T286 PolarHBondContact NE1-O 2.78Å; W195-K311 HydrophobicContact CB-CG 4.4Å; W195-K311 HydrophobicContact CD2-CD 4.23Å; W195-K311 HydrophobicContact CD2-CG 3.88Å; W195-K311 HydrophobicContact CG-CB 4.06Å; W195-K311 HydrophobicContact CG-CD 4.47Å; W195-K311 HydrophobicContact CG-CG 3.74Å; W195-K311 HydrophobicContact CZ2-CD 4.13Å; W195-K311 VanDerWaalsContact CZ2-CE 3.45Å; W195-P338 HydrophobicContact CB-CB 3.99Å; W195-P338 VanDerWaalsContact CB-O 3.31Å; W195-P338 WeakPolarHBondContact CB-O 3.35Å; W195-P338 HydrophobicContact CE3-CB 4.28Å; W195-P338 HydrophobicContact CG-CB 4.44Å; W195-P338 PolarHBondContact N-O 2.88Å
196	A	98.6	Very high	97.6	Very high	37 Å²	37	28.7 Å²	28.7	31%	0.306	16%	0.16	S	C	.	.	H	α-helix	trans	-65.7	-40	177.5	0	0	0	0	0	111.9	E132 S194 V199 A200	E132-A196 WeakPolarHBondContact OE2-CB 3.39Å; S194-A196 VanDerWaalsContact C-N 3.26Å; S194-A196 PolarHBondContact O-N 3.12Å; S194-A196 PolarHBondContact OG-N 3.02Å; S194-A196 VanDerWaalsContact OG-N 3.16Å; A196-V199 PolarHBondContact O-N 2.82Å; A196-A200 WeakPolarHBondContact O-CB 3.35Å; A196-A200 PolarHBondContact O-N 3.39Å
197	D	98.9	Very high	97.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-43.5	175.2	-59.2	-34.7	0	0	0	111.5	Y129 T131 E132 V193 S194 A200 F201	Y129-D197 HydrophobicContact CE1-CB 4.25Å; Y129-D197 WeakPolarHBondContact CE1-OD1 3.21Å; Y129-D197 PolarHBondContact OH-OD1 3.39Å; T131-D197 WeakPolarHBondContact CA-OD1 3.45Å; T131-D197 WeakPolarHBondContact CB-OD2 3.21Å; E132-D197 PolarHBondContact N-OD1 2.73Å; E132-D197 PolarHBondContact N-OD2 3.11Å; V193-D197 HydrophobicContact CB-CB 4.13Å; S194-D197 PolarHBondContact N-OD2 2.79Å; S194-D197 PolarHBondContact O-N 2.91Å; S194-D197 VanDerWaalsContact OG-CG 3.3Å; S194-D197 PolarHBondContact OG-N 2.74Å; S194-D197 VanDerWaalsContact OG-N 3.13Å; S194-D197 PolarHBondContact OG-OD2 2.75Å; D197-A200 PolarHBondContact O-N 2.86Å; D197-F201 PolarHBondContact O-N 3.17Å
198	A	98.9	Very high	97.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-42.7	177.4	0	0	0	0	0	112.3	S194 W195 F201 C202 L209 F347	S194-A198 WeakPolarHBondContact O-CB 3.32Å; S194-A198 PolarHBondContact O-N 3.38Å; W195-A198 PolarHBondContact O-N 3.15Å; A198-F201 PolarHBondContact O-N 2.67Å; A198-C202 PolarHBondContact O-N 3.46Å; A198-C202 PolarHBondContact O-SG 3.22Å; A198-L209 HydrophobicContact CB-CD1 4.3Å; A198-L209 HydrophobicContact CB-CD2 4.14Å; A198-F347 HydrophobicContact CB-CB 4.04Å; A198-F347 HydrophobicContact CB-CD1 3.57Å; A198-F347 HydrophobicContact CB-CD2 3.71Å; A198-F347 HydrophobicContact CB-CE1 3.9Å; A198-F347 HydrophobicContact CB-CE2 4Å; A198-F347 HydrophobicContact CB-CG 3.49Å; A198-F347 VanDerWaalsContact CB-CG 3.49Å; A198-F347 HydrophobicContact CB-CZ 4.11Å
199	V	98.8	Very high	97.8	Very high	46 Å²	46	29.3 Å²	29.3	28%	0.279	16%	0.158	S	C	.	.	H	α-helix	trans	-64.5	-42.5	175.1	169.8	0	0	0	0	111.7	W195 A196 C202 S203 L209	W195-V199 HydrophobicContact CD2-CG2 3.96Å; W195-V199 HydrophobicContact CE3-CG2 3.93Å; W195-V199 HydrophobicContact CH2-CG2 3.66Å; W195-V199 HydrophobicContact CZ2-CG2 3.67Å; W195-V199 HydrophobicContact CZ3-CG2 3.79Å; W195-V199 WeakPolarHBondContact O-CG2 3.47Å; W195-V199 PolarHBondContact O-N 2.98Å; A196-V199 PolarHBondContact O-N 2.82Å; V199-C202 PolarHBondContact O-N 3.2Å; V199-S203 VanDerWaalsContact O-CB 3.32Å; V199-S203 WeakPolarHBondContact O-CB 3.5Å; V199-S203 PolarHBondContact O-N 3.39Å; V199-S203 PolarHBondContact O-OG 3.16Å; V199-L209 HydrophobicContact CG2-CD1 3.69Å; V199-L209 HydrophobicContact CG2-CG 4.3Å
200	A	98.6	Very high	97.8	Very high	27 Å²	27	29.2 Å²	29.2	22%	0.223	16%	0.157	C	C	.	.	H	α-helix	trans	-61.2	-45.1	177.7	0	0	0	0	0	111.3	F123 Y129 A196 D197 S203 W204	F123-A200 HydrophobicContact CZ-CB 4.09Å; Y129-A200 HydrophobicContact CD2-CB 4.3Å; Y129-A200 HydrophobicContact CE2-CB 3.68Å; A196-A200 WeakPolarHBondContact O-CB 3.35Å; A196-A200 PolarHBondContact O-N 3.39Å; D197-A200 PolarHBondContact O-N 2.86Å; A200-S203 PolarHBondContact O-N 3.05Å; A200-W204 WeakPolarHBondContact O-CB 3.05Å; A200-W204 PolarHBondContact O-N 3.33Å
201	F	98.4	Very high	97.8	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.035	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-53.1	174.9	177.9	-82.8	0	0	0	111.9	V115 Q119 F120 F123 D197 A198 S203 W204 A205 F347	V115-F201 HydrophobicContact CB-CE1 4.39Å; V115-F201 HydrophobicContact CG1-CD1 4.28Å; V115-F201 HydrophobicContact CG1-CD2 4.42Å; V115-F201 HydrophobicContact CG1-CE1 3.75Å; V115-F201 HydrophobicContact CG1-CE2 3.93Å; V115-F201 HydrophobicContact CG1-CZ 3.56Å; V115-F201 HydrophobicContact CG2-CD1 4.12Å; V115-F201 HydrophobicContact CG2-CE1 3.65Å; V115-F201 HydrophobicContact CG2-CZ 4.27Å; Q119-F201 HydrophobicContact CB-CE2 4.38Å; Q119-F201 HydrophobicContact CB-CZ 4.08Å; F120-F201 HydrophobicContact CD2-CB 4.31Å; F120-F201 AromaticContact CD2-CD2 3.6Å; F120-F201 HydrophobicContact CD2-CD2 3.6Å; F120-F201 HydrophobicContact CD2-CE2 4.28Å; F120-F201 HydrophobicContact CD2-CG 4.16Å; F120-F201 HydrophobicContact CE2-CB 4.1Å; F120-F201 HydrophobicContact CE2-CD2 4.17Å; F120-F201 HydrophobicContact CE2-CG 4.45Å; F120-F201 HydrophobicContact CG-CD2 4.47Å; F123-F201 HydrophobicContact CB-CD2 3.48Å; F123-F201 VanDerWaalsContact CB-CD2 3.48Å; F123-F201 HydrophobicContact CB-CE2 3.68Å; F123-F201 HydrophobicContact CD1-CB 4.3Å; F123-F201 AromaticContact CD1-CD2 3.81Å; F123-F201 HydrophobicContact CD1-CD2 3.81Å; F123-F201 HydrophobicContact CD2-CD2 4.46Å; F123-F201 HydrophobicContact CE1-CB 4.36Å; F123-F201 AromaticContact CG-CD2 3.67Å; F123-F201 HydrophobicContact CG-CD2 3.67Å; F123-F201 HydrophobicContact CG-CE2 4.37Å; D197-F201 PolarHBondContact O-N 3.17Å; A198-F201 PolarHBondContact O-N 2.67Å; F201-S203 PolarHBondContact O-N 3.15Å; F201-W204 HydrophobicContact CD2-CE3 4.31Å; F201-W204 HydrophobicContact CD2-CZ3 4.45Å; F201-W204 HydrophobicContact CE2-CE3 4.14Å; F201-W204 AromaticContact CE2-CZ3 3.85Å; F201-W204 HydrophobicContact CE2-CZ3 3.85Å; F201-W204 HydrophobicContact CZ-CE3 4.49Å; F201-W204 HydrophobicContact CZ-CZ3 4.13Å; F201-W204 WeakPolarHBondContact O-CB 3.43Å; F201-W204 PolarHBondContact O-N 3.08Å; F201-W204 VanDerWaalsContact O-N 3.16Å; F201-A205 HydrophobicContact CE1-CB 4.32Å; F201-A205 PolarHBondContact O-N 3.47Å; F201-F347 HydrophobicContact CB-CE2 4.08Å; F201-F347 HydrophobicContact CB-CZ 3.66Å; F201-F347 AromaticContact CD1-CE2 3.56Å; F201-F347 HydrophobicContact CD1-CE2 3.56Å; F201-F347 AromaticContact CD1-CZ 3.63Å; F201-F347 HydrophobicContact CD1-CZ 3.63Å; F201-F347 HydrophobicContact CD2-CZ 4.5Å; F201-F347 HydrophobicContact CE1-CE2 4.35Å; F201-F347 HydrophobicContact CE1-CZ 4.45Å; F201-F347 HydrophobicContact CG-CE2 4.04Å; F201-F347 AromaticContact CG-CZ 3.67Å; F201-F347 HydrophobicContact CG-CZ 3.67Å
202	C	97.6	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-38.5	-177.2	-67.9	0	0	0	0	110.6	A198 V199 A205 N206 K207 C349	A198-C202 PolarHBondContact O-N 3.46Å; A198-C202 PolarHBondContact O-SG 3.22Å; V199-C202 PolarHBondContact O-N 3.2Å; C202-A205 CarbonylContact O-C 3.48Å; C202-A205 PolarHBondContact O-N 2.81Å; C202-N206 PolarHBondContact O-N 3.23Å; C202-K207 CarbonylContact C-O 3.52Å; C202-K207 HydrophobicContact CB-CB 4.25Å; C202-K207 CarbonylContact O-C 3.37Å; C202-K207 WeakPolarHBondContact O-CA 3.39Å; C202-K207 WeakPolarHBondContact O-CB 3.48Å; C202-K207 PolarHBondContact O-N 2.9Å; C202-K207 VanDerWaalsContact O-O 3.13Å; C202-C349 VanDerWaalsContact CA-SG 3.57Å; C202-C349 HydrophobicContact CB-CB 4.05Å; C202-C349 WeakPolarHBondContact CB-SG 3.16Å; C202-C349 WeakPolarHBondContact SG-CB 3.44Å; C202-C349 CovalentContact SG-SG 2.07Å; C202-C349 PolarHBondContact SG-SG 3.18Å
203	S	95.7	Very high	97.8	Very high	74 Å²	74	29.6 Å²	29.6	52%	0.517	16%	0.159	S	C	.	.	H	α-helix	trans	-63.8	-43.7	176.6	-56.5	0	0	0	0	112.2	V199 A200 F201 A205 N206	V199-S203 VanDerWaalsContact O-CB 3.32Å; V199-S203 WeakPolarHBondContact O-CB 3.5Å; V199-S203 PolarHBondContact O-N 3.39Å; V199-S203 PolarHBondContact O-OG 3.16Å; A200-S203 PolarHBondContact O-N 3.05Å; F201-S203 PolarHBondContact O-N 3.15Å; S203-A205 VanDerWaalsContact C-N 3.25Å; S203-A205 PolarHBondContact O-N 3.02Å; S203-N206 PolarHBondContact O-N 2.98Å
204	W	95.1	Very high	97.9	Very high	116 Å²	116	30.1 Å²	30.1	44%	0.439	16%	0.161	S	C	.	.	H	α-helix	trans	-60	-37.4	174	165.7	81.5	0	0	0	112.1	F123 A126 T127 A200 F201 N206	F123-W204 HydrophobicContact CB-CD2 4.12Å; F123-W204 HydrophobicContact CB-CE3 3.73Å; F123-W204 HydrophobicContact CB-CH2 4.12Å; F123-W204 HydrophobicContact CB-CZ2 4.48Å; F123-W204 HydrophobicContact CB-CZ3 3.73Å; F123-W204 HydrophobicContact CD2-CB 3.76Å; F123-W204 AromaticContact CD2-CD2 3.63Å; F123-W204 HydrophobicContact CD2-CD2 3.63Å; F123-W204 AromaticContact CD2-CE3 3.88Å; F123-W204 HydrophobicContact CD2-CE3 3.88Å; F123-W204 AromaticContact CD2-CG 3.57Å; F123-W204 HydrophobicContact CD2-CG 3.57Å; F123-W204 HydrophobicContact CE2-CB 3.82Å; F123-W204 HydrophobicContact CE2-CG 4.07Å; F123-W204 HydrophobicContact CG-CD2 4.34Å; F123-W204 HydrophobicContact CG-CE3 4.2Å; A126-W204 HydrophobicContact CB-CZ2 4.12Å; T127-W204 HydrophobicContact CG2-CG 4.25Å; A200-W204 WeakPolarHBondContact O-CB 3.05Å; A200-W204 PolarHBondContact O-N 3.33Å; F201-W204 HydrophobicContact CD2-CE3 4.31Å; F201-W204 HydrophobicContact CD2-CZ3 4.45Å; F201-W204 HydrophobicContact CE2-CE3 4.14Å; F201-W204 AromaticContact CE2-CZ3 3.85Å; F201-W204 HydrophobicContact CE2-CZ3 3.85Å; F201-W204 HydrophobicContact CZ-CE3 4.49Å; F201-W204 HydrophobicContact CZ-CZ3 4.13Å; F201-W204 WeakPolarHBondContact O-CB 3.43Å; F201-W204 PolarHBondContact O-N 3.08Å; F201-W204 VanDerWaalsContact O-N 3.16Å; W204-N206 PolarHBondContact O-N 3.42Å
205	A	93.8	Very high	97.9	Very high	25 Å²	25	30.1 Å²	30.1	21%	0.207	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	6.5	176.4	0	0	0	0	0	113.9	F201 C202 S203 K207	F201-A205 HydrophobicContact CE1-CB 4.32Å; F201-A205 PolarHBondContact O-N 3.47Å; C202-A205 CarbonylContact O-C 3.48Å; C202-A205 PolarHBondContact O-N 2.81Å; S203-A205 VanDerWaalsContact C-N 3.25Å; S203-A205 PolarHBondContact O-N 3.02Å; A205-K207 VanDerWaalsContact C-N 3.3Å; A205-K207 HydrophobicContact CB-CD 4.28Å; A205-K207 HydrophobicContact CB-CG 4.36Å; A205-K207 WeakPolarHBondContact O-CG 3.35Å; A205-K207 PolarHBondContact O-N 2.89Å
206	N	94	Very high	97.9	Very high	116 Å²	116	27.7 Å²	27.7	62%	0.62	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	38	-175.5	-163	52.6	0	0	0	113.7	C202 S203 W204 Q355	C202-N206 PolarHBondContact O-N 3.23Å; S203-N206 PolarHBondContact O-N 2.98Å; W204-N206 PolarHBondContact O-N 3.42Å; N206-Q355 PolarHBondContact ND2-OE1 3.31Å
207	K	96.9	Very high	97.9	Very high	20 Å²	20	27.1 Å²	27.1	9%	0.087	14%	0.142	C	C	.	.			trans	-129.7	-170.2	-179	-61.8	179.5	-169.5	-178.8	0	110.2	S73 M75 D111 C202 A205 C349 V350 Q355	S73-K207 WeakPolarHBondContact OG-CE 3.38Å; S73-K207 PolarHBondContact OG-NZ 3.23Å; M75-K207 HydrophobicContact CE-CD 4.06Å; M75-K207 HydrophobicContact SD-CD 3.94Å; M75-K207 VanDerWaalsContact SD-CE 3.5Å; M75-K207 HydrophobicContact SD-CG 4.41Å; D111-K207 IonicContact OD1-NZ 2.66Å; D111-K207 PolarHBondContact OD1-NZ 3.07Å; D111-K207 IonicContact OD2-NZ 3.52Å; C202-K207 CarbonylContact C-O 3.52Å; C202-K207 HydrophobicContact CB-CB 4.25Å; C202-K207 CarbonylContact O-C 3.37Å; C202-K207 WeakPolarHBondContact O-CA 3.39Å; C202-K207 WeakPolarHBondContact O-CB 3.48Å; C202-K207 PolarHBondContact O-N 2.9Å; C202-K207 VanDerWaalsContact O-O 3.13Å; A205-K207 VanDerWaalsContact C-N 3.3Å; A205-K207 HydrophobicContact CB-CD 4.28Å; A205-K207 HydrophobicContact CB-CG 4.36Å; A205-K207 WeakPolarHBondContact O-CG 3.35Å; A205-K207 PolarHBondContact O-N 2.89Å; K207-C349 HydrophobicContact CB-CB 3.74Å; K207-C349 HydrophobicContact CD-CB 3.56Å; K207-C349 HydrophobicContact CG-CB 4.29Å; K207-V350 WeakPolarHBondContact CB-O 3.26Å; K207-Q355 HydrophobicContact CG-CG 4.34Å
208	R	98.4	Very high	97.9	Very high	74 Å²	74	27.1 Å²	27.1	28%	0.279	14%	0.142	S	C	.	.	B	Isolated β-bridge	trans	-145.9	171	171.2	60	176	177.9	83.1	-0.6	110.8	E214 C349 V350	R208-E214 IonicContact CZ-OE1 2.87Å; R208-E214 IonicContact CZ-OE2 3.98Å; R208-E214 IonicContact NH1-OE1 2.67Å; R208-E214 IonicContact NH1-OE2 3.31Å; R208-E214 PolarHBondContact NH1-OE2 2.9Å; R208-E214 IonicContact NH2-OE1 3.54Å; R208-E214 PolarHBondContact NH2-OE1 2.91Å; R208-E214 IonicContact NH2-OE2 3.47Å; R208-E214 PolarHBondContact NH2-OE2 3.09Å; R208-C349 CarbonylContact O-C 3.58Å; R208-C349 WeakPolarHBondContact O-CA 3.45Å; R208-C349 WeakPolarHBondContact O-CB 3.37Å; R208-V350 HydrophobicContact CG-CG2 3.7Å; R208-V350 VanDerWaalsContact CZ-CG2 3.43Å; R208-V350 PolarHBondContact N-O 2.8Å; R208-V350 PolarHBondContact O-N 2.74Å
209	L	98.9	Very high	97.9	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.037	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-69	148.9	164.7	-73.4	176.2	0	0	0	110.9	W195 A198 V199 W285 F347	W195-L209 HydrophobicContact CG-CD1 4.46Å; A198-L209 HydrophobicContact CB-CD1 4.3Å; A198-L209 HydrophobicContact CB-CD2 4.14Å; V199-L209 HydrophobicContact CG2-CD1 3.69Å; V199-L209 HydrophobicContact CG2-CG 4.3Å; L209-W285 HydrophobicContact CD1-CB 4.22Å; L209-W285 HydrophobicContact CD2-CB 4.36Å; L209-F347 HydrophobicContact CD2-CB 3.99Å; L209-F347 HydrophobicContact CD2-CD2 3.93Å; L209-F347 HydrophobicContact CD2-CG 4.33Å
210	P	98.9	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-66.6	151.3	170.3	27	-32.4	0	0	0	111	M110 E214 W215 T286 S287 R348 V350	M110-P210 HydrophobicContact CE-CB 3.91Å; M110-P210 HydrophobicContact CE-CG 4.38Å; P210-E214 WeakPolarHBondContact CA-OE2 3.27Å; P210-E214 HydrophobicContact CB-CB 4.2Å; P210-W215 HydrophobicContact CB-CB 4.16Å; P210-W215 HydrophobicContact CG-CB 4.23Å; P210-T286 CarbonylContact O-C 3.54Å; P210-T286 WeakPolarHBondContact O-CA 3.37Å; P210-T286 WeakPolarHBondContact O-CB 3.31Å; P210-S287 PolarHBondContact O-N 2.84Å; P210-S287 PolarHBondContact O-OG 3.01Å; P210-R348 WeakPolarHBondContact CD-O 3.3Å; P210-V350 HydrophobicContact CB-CG1 3.7Å; P210-V350 HydrophobicContact CB-CG2 4.26Å; P210-V350 HydrophobicContact CG-CG1 4.4Å
211	T	98.9	Very high	97.8	Very high	10 Å²	10	24.2 Å²	24.2	6%	0.061	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-67.8	160.7	160.5	72.3	0	0	0	0	110.5	A213 E214 W215 S287 D288 T303	T211-A213 PolarHBondContact O-N 2.81Å; T211-E214 PolarHBondContact N-OE2 3.01Å; T211-E214 PolarHBondContact O-N 3.48Å; T211-E214 WeakPolarHBondContact OG1-CG 3.3Å; T211-E214 PolarHBondContact OG1-N 3.17Å; T211-W215 WeakPolarHBondContact O-CB 3.43Å; T211-W215 PolarHBondContact O-N 3.14Å; T211-S287 WeakPolarHBondContact CA-OG 3.45Å; T211-D288 WeakPolarHBondContact CA-OD2 3.28Å; T211-D288 WeakPolarHBondContact CB-OD2 3.34Å; T211-T303 HydrophobicContact CG2-CG2 4.34Å
212	E	98.9	Very high	97.7	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-56.7	-38.8	174.7	-172.1	-176.7	-179.8	0	0	110.8	M85 E216 D288 V312 K314 R333	M85-E212 HydrophobicContact CE-CB 4.02Å; M85-E212 HydrophobicContact CE-CG 3.58Å; E212-E216 WeakPolarHBondContact O-CB 3.06Å; E212-E216 PolarHBondContact O-N 2.76Å; E212-D288 HydrophobicContact CB-CB 4.25Å; E212-D288 PolarHBondContact N-OD2 3.18Å; E212-V312 HydrophobicContact CB-CG1 4.25Å; E212-V312 HydrophobicContact CG-CG1 3.84Å; E212-K314 HydrophobicContact CG-CD 3.83Å; E212-K314 HydrophobicContact CG-CG 4.29Å; E212-K314 IonicContact OE1-NZ 2.67Å; E212-K314 PolarHBondContact OE1-NZ 2.8Å; E212-R333 WeakPolarHBondContact OE1-CD 3.42Å; E212-R333 IonicContact OE1-CZ 3.49Å; E212-R333 IonicContact OE1-NE 2.73Å; E212-R333 PolarHBondContact OE1-NE 3.21Å; E212-R333 IonicContact OE1-NH2 3.54Å; E212-R333 IonicContact OE2-CZ 2.76Å; E212-R333 IonicContact OE2-NE 3.1Å; E212-R333 PolarHBondContact OE2-NE 3.18Å; E212-R333 IonicContact OE2-NH2 3.03Å; E212-R333 PolarHBondContact OE2-NH2 3.29Å
213	A	98.9	Very high	97.7	Very high	1 Å²	1	29 Å²	29	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-69.5	-44	179.1	0	0	0	0	0	112.9	F83 M85 V103 V105 T211 W215 E216 Y217 P302	F83-A213 WeakPolarHBondContact CZ-O 3.37Å; M85-A213 HydrophobicContact CE-CB 4.17Å; M85-A213 HydrophobicContact SD-CB 3.87Å; V103-A213 HydrophobicContact CG1-CB 4.13Å; V105-A213 HydrophobicContact CG2-CB 4.39Å; T211-A213 PolarHBondContact O-N 2.81Å; A213-W215 VanDerWaalsContact C-N 3.31Å; A213-W215 PolarHBondContact O-N 3.41Å; A213-E216 PolarHBondContact O-N 3.04Å; A213-Y217 WeakPolarHBondContact O-CB 3.28Å; A213-Y217 PolarHBondContact O-N 3.04Å; A213-P302 HydrophobicContact CB-CG 3.66Å
214	E	98.9	Very high	97.7	Very high	11 Å²	11	35 Å²	35	5%	0.051	17%	0.17	C	C	.	.	H	α-helix	trans	-59.1	-45.2	173.9	-76.3	170.7	161.4	0	0	111.2	V105 F108 R208 P210 T211 A218	V105-E214 HydrophobicContact CG1-CG 3.64Å; F108-E214 HydrophobicContact CD1-CG 4.38Å; F108-E214 HydrophobicContact CE1-CB 4.22Å; F108-E214 HydrophobicContact CE1-CG 4.06Å; F108-E214 HydrophobicContact CE2-CB 4.16Å; F108-E214 HydrophobicContact CE2-CG 4.47Å; F108-E214 HydrophobicContact CZ-CB 3.8Å; F108-E214 HydrophobicContact CZ-CG 4.11Å; R208-E214 IonicContact CZ-OE1 2.87Å; R208-E214 IonicContact CZ-OE2 3.98Å; R208-E214 IonicContact NH1-OE1 2.67Å; R208-E214 IonicContact NH1-OE2 3.31Å; R208-E214 PolarHBondContact NH1-OE2 2.9Å; R208-E214 IonicContact NH2-OE1 3.54Å; R208-E214 PolarHBondContact NH2-OE1 2.91Å; R208-E214 IonicContact NH2-OE2 3.47Å; R208-E214 PolarHBondContact NH2-OE2 3.09Å; P210-E214 WeakPolarHBondContact CA-OE2 3.27Å; P210-E214 HydrophobicContact CB-CB 4.2Å; T211-E214 PolarHBondContact N-OE2 3.01Å; T211-E214 PolarHBondContact O-N 3.48Å; T211-E214 WeakPolarHBondContact OG1-CG 3.3Å; T211-E214 PolarHBondContact OG1-N 3.17Å; E214-A218 WeakPolarHBondContact O-CB 3.43Å; E214-A218 PolarHBondContact O-N 2.87Å
215	W	98.9	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-47.8	178.9	-170.3	98.8	0	0	0	111.5	P210 T211 A213 A218 C219 M278 E284 T286 K314 G315	P210-W215 HydrophobicContact CB-CB 4.16Å; P210-W215 HydrophobicContact CG-CB 4.23Å; T211-W215 WeakPolarHBondContact O-CB 3.43Å; T211-W215 PolarHBondContact O-N 3.14Å; A213-W215 VanDerWaalsContact C-N 3.31Å; A213-W215 PolarHBondContact O-N 3.41Å; W215-A218 PolarHBondContact O-N 2.7Å; W215-C219 HydrophobicContact CE3-CB 4.01Å; W215-C219 HydrophobicContact CH2-CB 4.02Å; W215-C219 HydrophobicContact CZ3-CB 3.62Å; W215-C219 VanDerWaalsContact O-CB 3.3Å; W215-C219 WeakPolarHBondContact O-CB 3.06Å; W215-C219 PolarHBondContact O-N 3.15Å; W215-M278 HydrophobicContact CD2-CE 3.96Å; W215-M278 HydrophobicContact CG-CE 4.26Å; W215-M278 HydrophobicContact CH2-CE 4.47Å; W215-M278 WeakPolarHBondContact CH2-O 3.16Å; W215-M278 HydrophobicContact CZ2-CE 3.92Å; W215-M278 WeakPolarHBondContact CZ2-O 3.22Å; W215-E284 PolarHBondContact NE1-OE2 3.37Å; W215-T286 HydrophobicContact CB-CG2 4.06Å; W215-T286 HydrophobicContact CG-CG2 4.13Å; W215-K314 HydrophobicContact CD2-CB 3.49Å; W215-K314 VanDerWaalsContact CD2-CB 3.49Å; W215-K314 HydrophobicContact CD2-CG 3.94Å; W215-K314 HydrophobicContact CE3-CB 3.38Å; W215-K314 HydrophobicContact CE3-CD 4.33Å; W215-K314 HydrophobicContact CE3-CG 3.74Å; W215-K314 HydrophobicContact CG-CB 4.28Å; W215-K314 HydrophobicContact CG-CG 4.4Å; W215-K314 HydrophobicContact CH2-CB 3.63Å; W215-K314 HydrophobicContact CZ2-CB 3.66Å; W215-K314 HydrophobicContact CZ3-CB 3.49Å; W215-K314 VanDerWaalsContact CZ3-CB 3.49Å; W215-K314 HydrophobicContact CZ3-CG 4.22Å; W215-G315 VanDerWaalsContact CH2-CA 3.43Å
216	E	98.9	Very high	97.7	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-70.5	-38	-178.3	-171.3	173.5	134.4	0	0	112.3	F83 M85 G86 E212 A213 A218 C219 R220 K314 C330	F83-E216 HydrophobicContact CE2-CB 4.22Å; F83-E216 HydrophobicContact CE2-CG 4.06Å; F83-E216 HydrophobicContact CZ-CB 4.39Å; M85-E216 WeakPolarHBondContact CA-OE1 3.33Å; G86-E216 PolarHBondContact N-OE1 3.14Å; E212-E216 WeakPolarHBondContact O-CB 3.06Å; E212-E216 PolarHBondContact O-N 2.76Å; A213-E216 PolarHBondContact O-N 3.04Å; E216-A218 VanDerWaalsContact C-N 3.33Å; E216-A218 PolarHBondContact O-N 2.84Å; E216-C219 PolarHBondContact O-N 2.81Å; E216-R220 VanDerWaalsContact O-CG 3.28Å; E216-R220 WeakPolarHBondContact O-CG 3.46Å; E216-R220 PolarHBondContact O-N 3.08Å; E216-R220 IonicContact OE1-CZ 3.43Å; E216-R220 IonicContact OE1-NE 3.55Å; E216-R220 PolarHBondContact OE1-NE 2.81Å; E216-R220 IonicContact OE1-NH2 3.7Å; E216-R220 PolarHBondContact OE1-NH2 2.59Å; E216-K314 IonicContact OE2-NZ 3.05Å; E216-K314 PolarHBondContact OE2-NZ 3.35Å; E216-C330 HydrophobicContact CG-CB 4.32Å; E216-C330 WeakPolarHBondContact CG-O 3.4Å
217	Y	98.9	Very high	97.9	Very high	25 Å²	25	34.8 Å²	34.8	10%	0.098	17%	0.165	C	C	.	.	H	α-helix	trans	-56.8	-49.7	172.8	178.9	-109.5	0	0	0	111.1	I78 P79 F83 V105 F108 A213 R220 F273	I78-Y217 HydrophobicContact CG2-CD1 3.76Å; I78-Y217 HydrophobicContact CG2-CE1 3.56Å; P79-Y217 VanDerWaalsContact O-CE1 3.26Å; P79-Y217 WeakPolarHBondContact O-CE1 3.22Å; P79-Y217 PolarHBondContact O-OH 2.9Å; F83-Y217 HydrophobicContact CB-CD2 3.67Å; F83-Y217 HydrophobicContact CB-CE2 3.98Å; F83-Y217 AromaticContact CD1-CD2 3.52Å; F83-Y217 HydrophobicContact CD1-CD2 3.52Å; F83-Y217 HydrophobicContact CD1-CE2 4.38Å; F83-Y217 HydrophobicContact CD1-CG 4.2Å; F83-Y217 HydrophobicContact CD2-CD2 4.22Å; F83-Y217 HydrophobicContact CE1-CD2 4.16Å; F83-Y217 HydrophobicContact CE1-CG 4.42Å; F83-Y217 AromaticContact CG-CD2 3.55Å; F83-Y217 HydrophobicContact CG-CD2 3.55Å; F83-Y217 HydrophobicContact CG-CE2 4.33Å; F83-Y217 HydrophobicContact CG-CG 4.46Å; V105-Y217 HydrophobicContact CG2-CG 4.46Å; F108-Y217 HydrophobicContact CE1-CD1 4.27Å; A213-Y217 WeakPolarHBondContact O-CB 3.28Å; A213-Y217 PolarHBondContact O-N 3.04Å; Y217-R220 PolarHBondContact O-N 3.43Å; Y217-F273 HydrophobicContact CD1-CE2 4.48Å; Y217-F273 HydrophobicContact CE1-CE2 4.11Å; Y217-F273 HydrophobicContact CE1-CZ 4.34Å
218	A	98.8	Very high	98	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-42.3	178.8	0	0	0	0	0	112.1	F108 M110 E214 W215 E216 R220 G221 N271 L275 M278	F108-A218 HydrophobicContact CZ-CB 4.33Å; M110-A218 HydrophobicContact CE-CB 3.69Å; M110-A218 HydrophobicContact SD-CB 3.38Å; M110-A218 WeakPolarHBondContact SD-CB 3.36Å; E214-A218 WeakPolarHBondContact O-CB 3.43Å; E214-A218 PolarHBondContact O-N 2.87Å; W215-A218 PolarHBondContact O-N 2.7Å; E216-A218 VanDerWaalsContact C-N 3.33Å; E216-A218 PolarHBondContact O-N 2.84Å; A218-R220 VanDerWaalsContact C-N 3.29Å; A218-R220 PolarHBondContact O-N 3.05Å; A218-G221 PolarHBondContact O-N 2.88Å; A218-G221 VanDerWaalsContact O-N 3.1Å; A218-N271 PolarHBondContact O-ND2 2.95Å; A218-L275 HydrophobicContact CB-CD1 3.62Å; A218-M278 HydrophobicContact CB-CE 4.39Å
219	C	98.9	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56	-44.5	176.4	-179.9	0	0	0	0	111.4	W215 E216 G221 P229 N271 M278 C330	W215-C219 HydrophobicContact CE3-CB 4.01Å; W215-C219 HydrophobicContact CH2-CB 4.02Å; W215-C219 HydrophobicContact CZ3-CB 3.62Å; W215-C219 VanDerWaalsContact O-CB 3.3Å; W215-C219 WeakPolarHBondContact O-CB 3.06Å; W215-C219 PolarHBondContact O-N 3.15Å; E216-C219 PolarHBondContact O-N 2.81Å; C219-G221 PolarHBondContact O-N 3.39Å; C219-P229 WeakPolarHBondContact O-CA 3.37Å; C219-P229 WeakPolarHBondContact O-CB 3.33Å; C219-N271 PolarHBondContact O-ND2 2.97Å; C219-N271 VanDerWaalsContact O-ND2 3.12Å; C219-M278 HydrophobicContact CB-CB 4.31Å; C219-M278 HydrophobicContact CB-CE 3.87Å; C219-C330 HydrophobicContact CB-CB 3.87Å; C219-C330 WeakPolarHBondContact CB-SG 3.15Å; C219-C330 WeakPolarHBondContact SG-CA 3.5Å; C219-C330 WeakPolarHBondContact SG-CB 3.3Å; C219-C330 CovalentContact SG-SG 2.06Å; C219-C330 PolarHBondContact SG-SG 3.45Å
220	R	98.7	Very high	98	Very high	11 Å²	11	33.2 Å²	33.2	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-17.1	-178.8	-72.2	172.4	-176.7	-81.4	9.2	113.6	L84 G86 E216 Y217 A218 G222 L223 R226 C330	L84-R220 PolarHBondContact O-NE 3.36Å; L84-R220 PolarHBondContact O-NH2 3.42Å; G86-R220 PolarHBondContact O-NH2 2.81Å; E216-R220 VanDerWaalsContact O-CG 3.28Å; E216-R220 WeakPolarHBondContact O-CG 3.46Å; E216-R220 PolarHBondContact O-N 3.08Å; E216-R220 IonicContact OE1-CZ 3.43Å; E216-R220 IonicContact OE1-NE 3.55Å; E216-R220 PolarHBondContact OE1-NE 2.81Å; E216-R220 IonicContact OE1-NH2 3.7Å; E216-R220 PolarHBondContact OE1-NH2 2.59Å; Y217-R220 PolarHBondContact O-N 3.43Å; A218-R220 VanDerWaalsContact C-N 3.29Å; A218-R220 PolarHBondContact O-N 3.05Å; R220-G222 VanDerWaalsContact C-N 3.26Å; R220-G222 PolarHBondContact O-N 2.95Å; R220-L223 VanDerWaalsContact O-CB 3.3Å; R220-L223 WeakPolarHBondContact O-CB 3.38Å; R220-L223 PolarHBondContact O-N 2.88Å; R220-R226 PolarHBondContact NH1-O 2.88Å; R220-C330 HydrophobicContact CG-CB 3.96Å
221	G	97.6	Very high	97.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	38.6	170.7	0	0	0	0	0	113.6	A218 C219 L223 S272	A218-G221 PolarHBondContact O-N 2.88Å; A218-G221 VanDerWaalsContact O-N 3.1Å; C219-G221 PolarHBondContact O-N 3.39Å; G221-L223 PolarHBondContact O-N 2.84Å; G221-S272 WeakPolarHBondContact O-CB 3.12Å; G221-S272 PolarHBondContact O-OG 3.48Å; G221-S272 VanDerWaalsContact O-OG 3.08Å
222	G	96.6	Very high	97.9	Very high	52 Å²	52	37.4 Å²	37.4	54%	0.536	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-2	-176.8	0	0	0	0	0	115.7	R220	R220-G222 VanDerWaalsContact C-N 3.26Å; R220-G222 PolarHBondContact O-N 2.95Å
223	L	97.3	Very high	97.9	Very high	57 Å²	57	44.6 Å²	44.6	30%	0.298	22%	0.215	S	C	.	.			trans	-80.7	139.4	174.9	-56.5	-179.9	0	0	0	110.9	R220 G221 R226 P229	R220-L223 VanDerWaalsContact O-CB 3.3Å; R220-L223 WeakPolarHBondContact O-CB 3.38Å; R220-L223 PolarHBondContact O-N 2.88Å; G221-L223 PolarHBondContact O-N 2.84Å; L223-R226 HydrophobicContact CB-CB 4.42Å; L223-R226 HydrophobicContact CB-CG 3.82Å; L223-R226 HydrophobicContact CD1-CG 4.2Å; L223-P229 WeakPolarHBondContact CD1-O 3.26Å
224	R	94.9	Very high	97.8	Very high	200 Å²	200	47.2 Å²	47.2	76%	0.755	23%	0.229	S	C	*	.	S	Bend	trans	-95.7	131.5	175.6	-65.1	-178.3	178.8	177.3	-2.3	110.3	R226	R224-R226 PolarHBondContact O-N 3.29Å; R224-R226 PolarHBondContact O-NH1 3.27Å
225	D	91.6	Very high	97.7	Very high	80 Å²	80	49.7 Å²	49.7	43%	0.428	24%	0.242	S	C	.	.	S	Bend	trans	51.5	58.3	169.4	-162	42.3	0	0	0	113.1	Q100	Q100-D225 PolarHBondContact NE2-OD1 3.22Å; Q100-D225 VanDerWaalsContact NE2-OD1 3.08Å
226	R	97.8	Very high	97.6	Very high	110 Å²	110	50.9 Å²	50.9	42%	0.415	25%	0.25	S	C	.	.			trans	-122.9	151.2	175.6	-60.2	-60.8	176.4	-99.7	-1.8	110.4	R220 L223 R224 N232	R220-R226 PolarHBondContact NH1-O 2.88Å; L223-R226 HydrophobicContact CB-CB 4.42Å; L223-R226 HydrophobicContact CB-CG 3.82Å; L223-R226 HydrophobicContact CD1-CG 4.2Å; R224-R226 PolarHBondContact O-N 3.29Å; R224-R226 PolarHBondContact O-NH1 3.27Å; R226-N232 VanDerWaalsContact CA-OD1 3.24Å; R226-N232 WeakPolarHBondContact CA-OD1 3.39Å; R226-N232 WeakPolarHBondContact CD-OD1 3.37Å
227	L	98.1	Very high	97.5	Very high	61 Å²	61	60.3 Å²	60.3	32%	0.319	29%	0.291	S	S	.	.	S	Bend	trans	-68.9	-46.9	179	-65.2	173.4	0	0	0	111.9	N232 R329 C330	L227-N232 HydrophobicContact CD1-CB 4.4Å; L227-N232 PolarHBondContact N-OD1 3.49Å; L227-R329 HydrophobicContact CB-CG 4.38Å; L227-R329 CarbonylContact O-C 3Å; L227-R329 VanDerWaalsContact O-CA 3.23Å; L227-R329 WeakPolarHBondContact O-CA 3.42Å; L227-R329 WeakPolarHBondContact O-CB 3.35Å; L227-C330 PolarHBondContact O-N 3.15Å
228	Y	98.7	Very high	97.4	Very high	10 Å²	10	62.3 Å²	62.3	4%	0.039	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-117.7	162.4	-173.2	-46.4	-60.3	0	0	0	111.1	W230 G231 L234 Y326 Y328 R329	Y228-W230 HydrophobicContact CD1-CZ2 4.49Å; Y228-W230 HydrophobicContact CD2-CZ2 4.46Å; Y228-W230 AromaticContact CD2-NE1 3.99Å; Y228-W230 HydrophobicContact CG-CZ2 4.02Å; Y228-W230 PolarHBondContact O-N 2.99Å; Y228-G231 WeakPolarHBondContact CA-O 3.26Å; Y228-G231 WeakPolarHBondContact CB-O 3.45Å; Y228-G231 VanDerWaalsContact CD2-O 3.3Å; Y228-G231 WeakPolarHBondContact CD2-O 3.05Å; Y228-G231 PolarHBondContact N-O 2.98Å; Y228-G231 PolarHBondContact O-N 3.39Å; Y228-L234 HydrophobicContact CE1-CD1 4.17Å; Y228-L234 HydrophobicContact CE2-CB 4.08Å; Y228-L234 HydrophobicContact CE2-CD1 4.3Å; Y228-Y326 PolarHBondContact OH-OH 3.49Å; Y228-Y328 HydrophobicContact CD1-CD2 4.35Å; Y228-Y328 WeakPolarHBondContact CD1-O 3.49Å; Y228-Y328 AromaticContact CE1-CD2 3.59Å; Y228-Y328 HydrophobicContact CE1-CD2 3.59Å; Y228-Y328 AromaticContact CE1-CE2 3.8Å; Y228-Y328 HydrophobicContact CE1-CE2 3.8Å; Y228-Y328 VanDerWaalsContact CE1-O 3.3Å; Y228-Y328 WeakPolarHBondContact CE1-O 3.24Å; Y228-R329 HydrophobicContact CD1-CG 4.21Å; Y228-R329 HydrophobicContact CE1-CG 3.76Å
229	P	98.6	Very high	97.3	Very high	4 Å²	4	67.3 Å²	67.3	3%	0.026	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-24.1	175.8	-27.9	34.7	0	0	0	115	C219 L223 N271 M278 V279	C219-P229 WeakPolarHBondContact O-CA 3.37Å; C219-P229 WeakPolarHBondContact O-CB 3.33Å; L223-P229 WeakPolarHBondContact CD1-O 3.26Å; P229-N271 HydrophobicContact CB-CB 3.78Å; P229-M278 HydrophobicContact CG-CB 4.23Å; P229-V279 HydrophobicContact CG-CG1 3.97Å; P229-V279 HydrophobicContact CG-CG2 3.91Å
230	W	98.3	Very high	97.3	Very high	55 Å²	55	69.6 Å²	69.6	21%	0.208	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	0.5	-177.1	56.3	83.4	0	0	0	114.3	Y228 K233 L234 P236 Y241 A242 V279	Y228-W230 HydrophobicContact CD1-CZ2 4.49Å; Y228-W230 HydrophobicContact CD2-CZ2 4.46Å; Y228-W230 AromaticContact CD2-NE1 3.99Å; Y228-W230 HydrophobicContact CG-CZ2 4.02Å; Y228-W230 PolarHBondContact O-N 2.99Å; W230-K233 PolarHBondContact NE1-O 2.75Å; W230-L234 HydrophobicContact CZ2-CD1 4.46Å; W230-L234 PolarHBondContact NE1-O 2.87Å; W230-P236 VanDerWaalsContact CD1-CG 3.48Å; W230-P236 HydrophobicContact CG-CG 4.46Å; W230-Y241 HydrophobicContact CB-CD1 3.77Å; W230-Y241 HydrophobicContact CB-CE1 3.99Å; W230-Y241 AromaticContact CD2-CD1 3.6Å; W230-Y241 HydrophobicContact CD2-CD1 3.6Å; W230-Y241 AromaticContact CD2-CG 3.95Å; W230-Y241 HydrophobicContact CD2-CG 3.95Å; W230-Y241 VanDerWaalsContact CE2-CB 3.45Å; W230-Y241 AromaticContact CE3-CD1 3.94Å; W230-Y241 HydrophobicContact CE3-CD1 3.94Å; W230-Y241 HydrophobicContact CE3-CG 4.33Å; W230-Y241 AromaticContact CG-CD1 3.51Å; W230-Y241 HydrophobicContact CG-CD1 3.51Å; W230-Y241 HydrophobicContact CG-CE1 4.12Å; W230-Y241 HydrophobicContact CG-CG 4.14Å; W230-Y241 VanDerWaalsContact CZ2-CB 3.5Å; W230-Y241 WeakPolarHBondContact CZ3-O 3.15Å; W230-A242 HydrophobicContact CH2-CB 3.7Å; W230-A242 HydrophobicContact CZ3-CB 4.31Å; W230-V279 HydrophobicContact CH2-CG2 3.46Å; W230-V279 VanDerWaalsContact CH2-CG2 3.46Å; W230-V279 HydrophobicContact CZ3-CG2 3.53Å
231	G	98.2	Very high	97.2	Very high	11 Å²	11	71.5 Å²	71.5	11%	0.113	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	131.5	-148.2	179.5	0	0	0	0	0	114.3	Y228	Y228-G231 WeakPolarHBondContact CA-O 3.26Å; Y228-G231 WeakPolarHBondContact CB-O 3.45Å; Y228-G231 VanDerWaalsContact CD2-O 3.3Å; Y228-G231 WeakPolarHBondContact CD2-O 3.05Å; Y228-G231 PolarHBondContact N-O 2.98Å; Y228-G231 PolarHBondContact O-N 3.39Å
232	N	98.3	Very high	97.3	Very high	87 Å²	87	71.6 Å²	71.6	47%	0.465	36%	0.361	S	S	.	.	S	Bend	trans	-108.8	-11.5	-171.2	-68.3	-15.4	0	0	0	114.7	R226 L227	R226-N232 VanDerWaalsContact CA-OD1 3.24Å; R226-N232 WeakPolarHBondContact CA-OD1 3.39Å; R226-N232 WeakPolarHBondContact CD-OD1 3.37Å; L227-N232 HydrophobicContact CD1-CB 4.4Å; L227-N232 PolarHBondContact N-OD1 3.49Å
233	K	98.1	Very high	97.4	Very high	159 Å²	159	69.1 Å²	69.1	69%	0.691	34%	0.336	S	S	*	.			trans	-93	129.5	173.9	-69.3	-171.6	177.6	-175.2	0	108.8	W230 P236	W230-K233 PolarHBondContact NE1-O 2.75Å; K233-P236 WeakPolarHBondContact O-CD 3.38Å
234	L	97.6	Very high	97.4	Very high	56 Å²	56	66.9 Å²	66.9	29%	0.293	32%	0.324	S	S	.	.	S	Bend	trans	-61.5	-49.1	180	-178.2	57.1	0	0	0	111.3	Y228 W230 P236 L244 Y328	Y228-L234 HydrophobicContact CE1-CD1 4.17Å; Y228-L234 HydrophobicContact CE2-CB 4.08Å; Y228-L234 HydrophobicContact CE2-CD1 4.3Å; W230-L234 HydrophobicContact CZ2-CD1 4.46Å; W230-L234 PolarHBondContact NE1-O 2.87Å; L234-P236 VanDerWaalsContact O-CD 3.27Å; L234-P236 WeakPolarHBondContact O-CD 3.35Å; L234-L244 HydrophobicContact CD1-CD1 3.91Å; L234-Y328 HydrophobicContact CD1-CD2 3.91Å; L234-Y328 HydrophobicContact CD1-CE2 3.62Å; L234-Y328 HydrophobicContact CD2-CE2 4.07Å; L234-Y328 HydrophobicContact CG-CE2 4.48Å
235	N	97.2	Very high	97.6	Very high	62 Å²	62	58 Å²	58	33%	0.332	29%	0.29	S	S	.	.	S	Bend	trans	-117	80.4	178.7	-63.2	-16.4	0	0	0	111	K237 G238 Q239	N235-K237 PolarHBondContact O-N 2.84Å; N235-G238 PolarHBondContact O-N 2.99Å; N235-G238 VanDerWaalsContact O-N 3.15Å; N235-Q239 CarbonylContact C-O 3.54Å; N235-Q239 WeakPolarHBondContact CA-O 3.26Å; N235-Q239 WeakPolarHBondContact CB-O 3.28Å
236	P	96.9	Very high	97.9	Very high	26 Å²	26	55.1 Å²	55.1	17%	0.169	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-55.9	130.7	174.8	-20.7	31.5	0	0	0	110.7	W230 K233 L234 G238 Q239 Y241	W230-P236 VanDerWaalsContact CD1-CG 3.48Å; W230-P236 HydrophobicContact CG-CG 4.46Å; K233-P236 WeakPolarHBondContact O-CD 3.38Å; L234-P236 VanDerWaalsContact O-CD 3.27Å; L234-P236 WeakPolarHBondContact O-CD 3.35Å; P236-G238 PolarHBondContact O-N 3.43Å; P236-G238 VanDerWaalsContact O-N 3.1Å; P236-Q239 PolarHBondContact O-N 2.92Å; P236-Y241 HydrophobicContact CB-CE2 4.16Å; P236-Y241 HydrophobicContact CG-CD2 4.21Å; P236-Y241 HydrophobicContact CG-CE1 4.48Å; P236-Y241 HydrophobicContact CG-CE2 4.06Å
237	K	96.1	Very high	97.8	Very high	199 Å²	199	51.2 Å²	51.2	87%	0.865	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	55.8	25.3	-178.9	-53.1	176.5	-178.6	175	0	113.9	N235 Q239	N235-K237 PolarHBondContact O-N 2.84Å; K237-Q239 VanDerWaalsContact C-N 3.26Å; K237-Q239 PolarHBondContact O-N 2.67Å
238	G	96.3	Very high	97.7	Very high	67 Å²	67	54.1 Å²	54.1	69%	0.691	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	72.8	15.9	-178.6	0	0	0	0	0	114.3	N235 P236	N235-G238 PolarHBondContact O-N 2.99Å; N235-G238 VanDerWaalsContact O-N 3.15Å; P236-G238 PolarHBondContact O-N 3.43Å; P236-G238 VanDerWaalsContact O-N 3.1Å
239	Q	97.6	Very high	97.5	Very high	106 Å²	106	55 Å²	55	50%	0.495	29%	0.288	S	S	.	.			trans	-102.5	139.3	178.4	-65	175.6	-29.9	0	0	110.2	N235 P236 K237 Y241	N235-Q239 CarbonylContact C-O 3.54Å; N235-Q239 WeakPolarHBondContact CA-O 3.26Å; N235-Q239 WeakPolarHBondContact CB-O 3.28Å; P236-Q239 PolarHBondContact O-N 2.92Å; K237-Q239 VanDerWaalsContact C-N 3.26Å; K237-Q239 PolarHBondContact O-N 2.67Å; Q239-Y241 HydrophobicContact CB-CD2 4.29Å; Q239-Y241 HydrophobicContact CB-CE2 3.96Å; Q239-Y241 WeakPolarHBondContact O-CD2 3.26Å
240	H	98.1	Very high	97.3	Very high	47 Å²	47	56.8 Å²	56.8	22%	0.218	30%	0.3	C	S	.	.			trans	-74	134.7	171.1	-67.6	-92.9	0	0	0	110	D257 F268	H240-D257 HydrophobicContact CB-CB 3.78Å; H240-F268 HydrophobicContact CB-CE1 3.94Å
241	Y	98.4	Very high	97	Very high	51 Å²	51	60.4 Å²	60.4	20%	0.2	33%	0.328	C	S	.	.			trans	-115.6	-0.8	-178.3	-90	-122	0	0	0	112.9	W230 P236 Q239 F268 P269	W230-Y241 HydrophobicContact CB-CD1 3.77Å; W230-Y241 HydrophobicContact CB-CE1 3.99Å; W230-Y241 AromaticContact CD2-CD1 3.6Å; W230-Y241 HydrophobicContact CD2-CD1 3.6Å; W230-Y241 AromaticContact CD2-CG 3.95Å; W230-Y241 HydrophobicContact CD2-CG 3.95Å; W230-Y241 VanDerWaalsContact CE2-CB 3.45Å; W230-Y241 AromaticContact CE3-CD1 3.94Å; W230-Y241 HydrophobicContact CE3-CD1 3.94Å; W230-Y241 HydrophobicContact CE3-CG 4.33Å; W230-Y241 AromaticContact CG-CD1 3.51Å; W230-Y241 HydrophobicContact CG-CD1 3.51Å; W230-Y241 HydrophobicContact CG-CE1 4.12Å; W230-Y241 HydrophobicContact CG-CG 4.14Å; W230-Y241 VanDerWaalsContact CZ2-CB 3.5Å; W230-Y241 WeakPolarHBondContact CZ3-O 3.15Å; P236-Y241 HydrophobicContact CB-CE2 4.16Å; P236-Y241 HydrophobicContact CG-CD2 4.21Å; P236-Y241 HydrophobicContact CG-CE1 4.48Å; P236-Y241 HydrophobicContact CG-CE2 4.06Å; Q239-Y241 HydrophobicContact CB-CD2 4.29Å; Q239-Y241 HydrophobicContact CB-CE2 3.96Å; Q239-Y241 WeakPolarHBondContact O-CD2 3.26Å; Y241-F268 WeakPolarHBondContact O-CB 3.5Å; Y241-P269 HydrophobicContact CD1-CB 4.27Å; Y241-P269 HydrophobicContact CD1-CG 4.17Å; Y241-P269 HydrophobicContact CE1-CB 4.17Å; Y241-P269 HydrophobicContact CE1-CG 4.13Å; Y241-P269 HydrophobicContact CG-CG 4.4Å
242	A	98.4	Very high	96.9	Very high	4 Å²	4	65.1 Å²	65.1	3%	0.033	35%	0.347	C	S	.	.	S	Bend	trans	-156.9	154.2	175.6	0	0	0	0	0	109.7	W230 L244 V279	W230-A242 HydrophobicContact CH2-CB 3.7Å; W230-A242 HydrophobicContact CZ3-CB 4.31Å; A242-L244 HydrophobicContact CB-CD1 4.39Å; A242-L244 HydrophobicContact CB-CG 4.2Å; A242-V279 HydrophobicContact CB-CG2 4.25Å; A242-V279 WeakPolarHBondContact CB-O 3.2Å
243	N	98.7	Very high	96.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.331	C	S	.	.			trans	-77.5	114.1	169	-179.1	-2.9	0	0	0	110.2	D257 K261 S263 F268 G280 N281 Y318	N243-D257 WeakPolarHBondContact CA-OD2 3.46Å; N243-K261 PolarHBondContact ND2-O 3.11Å; N243-S263 PolarHBondContact ND2-N 3.15Å; N243-S263 VanDerWaalsContact ND2-N 3.15Å; N243-S263 PolarHBondContact ND2-OG 3.29Å; N243-F268 HydrophobicContact CB-CD2 4.36Å; N243-F268 HydrophobicContact CB-CE2 3.59Å; N243-F268 HydrophobicContact CB-CZ 4.08Å; N243-G280 CarbonylContact O-C 3.59Å; N243-G280 WeakPolarHBondContact O-CA 3.38Å; N243-N281 HydrophobicContact CB-CB 4.29Å; N243-N281 PolarHBondContact ND2-OD1 2.74Å; N243-N281 PolarHBondContact O-N 2.87Å; N243-Y318 VanDerWaalsContact OD1-CB 3.29Å; N243-Y318 WeakPolarHBondContact OD1-CB 3.42Å
244	L	98.4	Very high	96.8	Very high	9 Å²	9	56.7 Å²	56.7	5%	0.047	31%	0.313	C	S	.	.			trans	-141.8	179.6	-176.7	-63.8	176.2	0	0	0	109.8	L234 A242 Q246 D257 Y318 C320 Y328	L234-L244 HydrophobicContact CD1-CD1 3.91Å; A242-L244 HydrophobicContact CB-CD1 4.39Å; A242-L244 HydrophobicContact CB-CG 4.2Å; L244-Q246 VanDerWaalsContact C-NE2 3.31Å; L244-Q246 PolarHBondContact O-NE2 2.97Å; L244-D257 PolarHBondContact N-OD2 2.88Å; L244-Y318 CarbonylContact C-O 3.56Å; L244-C320 HydrophobicContact CD2-CB 4.24Å; L244-Y328 HydrophobicContact CD1-CD1 4.19Å; L244-Y328 HydrophobicContact CD1-CD2 3.6Å; L244-Y328 HydrophobicContact CD1-CE2 4.03Å; L244-Y328 HydrophobicContact CD1-CG 3.7Å; L244-Y328 HydrophobicContact CD2-CD1 4.02Å; L244-Y328 HydrophobicContact CD2-CG 3.79Å; L244-Y328 HydrophobicContact CG-CG 4.44Å
245	W	98.5	Very high	96.8	Very high	13 Å²	13	54.8 Å²	54.8	5%	0.049	31%	0.307	C	S	.	.			trans	-83.4	139.7	172.9	-171	-77	0	0	0	111	F142 F249 H252 N253 Y318 C320 H321	F142-W245 AromaticContact CE1-CH2 3.78Å; F142-W245 HydrophobicContact CE1-CH2 3.78Å; F142-W245 AromaticContact CE1-CZ3 3.54Å; F142-W245 HydrophobicContact CE1-CZ3 3.54Å; F142-W245 AromaticContact CZ-CH2 3.64Å; F142-W245 HydrophobicContact CZ-CH2 3.64Å; F142-W245 AromaticContact CZ-CZ3 3.67Å; F142-W245 HydrophobicContact CZ-CZ3 3.67Å; W245-F249 HydrophobicContact CD2-CB 4.35Å; W245-F249 AromaticContact CD2-CD2 3.72Å; W245-F249 HydrophobicContact CD2-CD2 3.72Å; W245-F249 AromaticContact CE2-CD2 3.92Å; W245-F249 AromaticContact CE3-CD2 3.81Å; W245-F249 HydrophobicContact CE3-CD2 3.81Å; W245-F249 HydrophobicContact CE3-CE2 4.3Å; W245-F249 HydrophobicContact CG-CB 4.37Å; W245-F249 HydrophobicContact CG-CD2 4.2Å; W245-F249 HydrophobicContact CH2-CD2 4.22Å; W245-F249 HydrophobicContact CZ2-CB 4.4Å; W245-F249 HydrophobicContact CZ2-CD2 4.15Å; W245-F249 HydrophobicContact CZ3-CD2 4.06Å; W245-F249 HydrophobicContact CZ3-CE2 4.33Å; W245-H252 WeakPolarHBondContact CZ2-O 3.22Å; W245-H252 PolarHBondContact NE1-O 3.35Å; W245-N253 HydrophobicContact CD2-CB 3.8Å; W245-N253 HydrophobicContact CE3-CB 3.85Å; W245-N253 HydrophobicContact CH2-CB 3.73Å; W245-N253 HydrophobicContact CZ2-CB 3.65Å; W245-N253 HydrophobicContact CZ3-CB 3.82Å; W245-Y318 PolarHBondContact N-O 2.85Å; W245-Y318 VanDerWaalsContact N-O 3.11Å; W245-C320 PolarHBondContact N-O 3.12Å; W245-C320 VanDerWaalsContact N-O 3.08Å; W245-H321 HydrophobicContact CB-CB 4Å; W245-H321 HydrophobicContact CG-CB 4.33Å; W245-H321 PolarHBondContact O-CD2 3.1Å
246	Q	98.1	Very high	96.8	Very high	20 Å²	20	58.2 Å²	58.2	9%	0.093	32%	0.321	C	S	.	.			trans	-125.6	139.1	165.2	-60	88.6	50.6	0	0	110.4	L244 N253 S254 E256 D257	L244-Q246 VanDerWaalsContact C-NE2 3.31Å; L244-Q246 PolarHBondContact O-NE2 2.97Å; Q246-N253 PolarHBondContact N-OD1 2.97Å; Q246-N253 CarbonylContact O-C 3.53Å; Q246-N253 VanDerWaalsContact O-CA 3.28Å; Q246-N253 WeakPolarHBondContact O-CA 3.49Å; Q246-N253 PolarHBondContact O-OD1 2.82Å; Q246-S254 VanDerWaalsContact CB-OG 3.29Å; Q246-S254 WeakPolarHBondContact CB-OG 3.3Å; Q246-S254 PolarHBondContact O-N 2.97Å; Q246-S254 PolarHBondContact O-OG 3.27Å; Q246-E256 HydrophobicContact CB-CB 4.12Å; Q246-E256 HydrophobicContact CB-CG 4.48Å; Q246-E256 HydrophobicContact CG-CB 4Å; Q246-D257 PolarHBondContact NE2-OD2 3.21Å; Q246-D257 VanDerWaalsContact OE1-CG 3.32Å; Q246-D257 PolarHBondContact OE1-OD2 2.81Å
247	G	96.2	Very high	96.8	Very high	28 Å²	28	57.7 Å²	57.7	29%	0.289	32%	0.316	S	S	.	.	S	Bend	trans	99.8	-156.1	-173.8	0	0	0	0	0	113.4	F249 H252	G247-F249 PolarHBondContact O-N 3.08Å; G247-H252 CarbonylContact C-O 3.39Å
248	D	95.3	Very high	96.9	Very high	123 Å²	123	50.9 Å²	50.9	66%	0.658	30%	0.303	S	S	*	.	S	Bend	trans	-94.5	91.6	-168.6	-64	-44.1	0	0	0	111.3	V251 H252	D248-V251 WeakPolarHBondContact O-CA 3.18Å; D248-V251 PolarHBondContact O-N 2.82Å; D248-H252 PolarHBondContact N-O 3.1Å; D248-H252 PolarHBondContact O-N 3.12Å
249	F	94.8	Very high	97	Very high	27 Å²	27	51.3 Å²	51.3	12%	0.118	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	138.5	174.8	-176.7	-87.3	0	0	0	111.7	F142 W163 W245 G247 M319 H321 Y324	F142-F249 HydrophobicContact CE2-CE2 4.27Å; F142-F249 HydrophobicContact CE2-CZ 4.42Å; F142-F249 HydrophobicContact CZ-CE2 4.42Å; W163-F249 HydrophobicContact CD2-CE1 4.08Å; W163-F249 HydrophobicContact CD2-CZ 4.14Å; W163-F249 AromaticContact CE2-CE1 3.71Å; W163-F249 AromaticContact CE2-CZ 3.72Å; W163-F249 HydrophobicContact CE3-CE1 4.39Å; W163-F249 HydrophobicContact CG-CZ 4.39Å; W163-F249 HydrophobicContact CH2-CE1 4.05Å; W163-F249 AromaticContact CZ2-CE1 3.72Å; W163-F249 HydrophobicContact CZ2-CE1 3.72Å; W163-F249 HydrophobicContact CZ2-CZ 4.12Å; W163-F249 HydrophobicContact CZ3-CE1 4.36Å; W163-F249 AromaticContact NE1-CZ 3.69Å; W245-F249 HydrophobicContact CD2-CB 4.35Å; W245-F249 AromaticContact CD2-CD2 3.72Å; W245-F249 HydrophobicContact CD2-CD2 3.72Å; W245-F249 AromaticContact CE2-CD2 3.92Å; W245-F249 AromaticContact CE3-CD2 3.81Å; W245-F249 HydrophobicContact CE3-CD2 3.81Å; W245-F249 HydrophobicContact CE3-CE2 4.3Å; W245-F249 HydrophobicContact CG-CB 4.37Å; W245-F249 HydrophobicContact CG-CD2 4.2Å; W245-F249 HydrophobicContact CH2-CD2 4.22Å; W245-F249 HydrophobicContact CZ2-CB 4.4Å; W245-F249 HydrophobicContact CZ2-CD2 4.15Å; W245-F249 HydrophobicContact CZ3-CD2 4.06Å; W245-F249 HydrophobicContact CZ3-CE2 4.33Å; G247-F249 PolarHBondContact O-N 3.08Å; F249-M319 HydrophobicContact CE2-CB 4.45Å; F249-M319 HydrophobicContact CE2-CE 4.35Å; F249-H321 HydrophobicContact CB-CB 4.22Å; F249-Y324 HydrophobicContact CD1-CD1 4.14Å; F249-Y324 HydrophobicContact CD1-CG 4.11Å; F249-Y324 AromaticContact CE1-CD1 3.61Å; F249-Y324 HydrophobicContact CE1-CD1 3.61Å; F249-Y324 HydrophobicContact CE1-CE1 4.19Å; F249-Y324 AromaticContact CE1-CG 3.91Å; F249-Y324 HydrophobicContact CE1-CG 3.91Å; F249-Y324 HydrophobicContact CZ-CD1 4.1Å; F249-Y324 HydrophobicContact CZ-CE1 4.48Å
250	P	93.9	Very high	97	Very high	42 Å²	42	49.9 Å²	49.9	27%	0.273	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	cis	-92.4	10.2	-3.7	37.1	-36.8	0	0	0	114.2	F142 W163	F142-P250 HydrophobicContact CE2-CB 3.92Å; F142-P250 HydrophobicContact CZ-CB 4.05Å; W163-P250 HydrophobicContact CB-CB 4.34Å; W163-P250 HydrophobicContact CD2-CB 4.22Å; W163-P250 HydrophobicContact CD2-CG 4.32Å; W163-P250 HydrophobicContact CE3-CB 4.21Å; W163-P250 HydrophobicContact CE3-CG 3.8Å; W163-P250 HydrophobicContact CG-CB 4.28Å; W163-P250 HydrophobicContact CZ3-CG 4.42Å
251	V	92.3	Very high	96.9	Very high	131 Å²	131	51.1 Å²	51.1	79%	0.794	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-42.2	-165	-177.8	0	0	0	0	112.9	D248	D248-V251 WeakPolarHBondContact O-CA 3.18Å; D248-V251 PolarHBondContact O-N 2.82Å
252	H	94.9	Very high	96.9	Very high	111 Å²	111	49.4 Å²	49.4	51%	0.514	28%	0.282	S	S	.	.			trans	-140.2	118.1	-175.1	-176.3	67.3	0	0	0	111.7	W245 G247 D248	W245-H252 WeakPolarHBondContact CZ2-O 3.22Å; W245-H252 PolarHBondContact NE1-O 3.35Å; G247-H252 CarbonylContact C-O 3.39Å; D248-H252 PolarHBondContact N-O 3.1Å; D248-H252 PolarHBondContact O-N 3.12Å
253	N	97.4	Very high	96.9	Very high	23 Å²	23	49.2 Å²	49.2	12%	0.123	28%	0.281	C	S	.	.			trans	-100.9	117.3	167.3	-168.2	-7.3	0	0	0	108.8	W245 Q246 G255 V260	W245-N253 HydrophobicContact CD2-CB 3.8Å; W245-N253 HydrophobicContact CE3-CB 3.85Å; W245-N253 HydrophobicContact CH2-CB 3.73Å; W245-N253 HydrophobicContact CZ2-CB 3.65Å; W245-N253 HydrophobicContact CZ3-CB 3.82Å; Q246-N253 PolarHBondContact N-OD1 2.97Å; Q246-N253 CarbonylContact O-C 3.53Å; Q246-N253 VanDerWaalsContact O-CA 3.28Å; Q246-N253 WeakPolarHBondContact O-CA 3.49Å; Q246-N253 PolarHBondContact O-OD1 2.82Å; N253-G255 VanDerWaalsContact C-N 3.29Å; N253-G255 PolarHBondContact O-N 2.97Å; N253-G255 PolarHBondContact OD1-N 3.16Å; N253-G255 VanDerWaalsContact OD1-N 3.15Å; N253-V260 HydrophobicContact CB-CG1 4.42Å
254	S	97.4	Very high	96.8	Very high	45 Å²	45	50.4 Å²	50.4	32%	0.315	29%	0.289	S	S	.	.			trans	-73.8	-20.4	-179.7	59.9	0	0	0	0	113.1	Q246 E256	Q246-S254 VanDerWaalsContact CB-OG 3.29Å; Q246-S254 WeakPolarHBondContact CB-OG 3.3Å; Q246-S254 PolarHBondContact O-N 2.97Å; Q246-S254 PolarHBondContact O-OG 3.27Å; S254-E256 VanDerWaalsContact C-N 3.27Å; S254-E256 PolarHBondContact O-N 2.93Å; S254-E256 WeakPolarHBondContact OG-CG 3.18Å; S254-E256 PolarHBondContact OG-OE1 3.37Å
255	G	97.5	Very high	96.6	Very high	16 Å²	16	50.8 Å²	50.8	17%	0.165	29%	0.291	C	S	.	.			trans	62.5	33.4	-177.3	0	0	0	0	0	113	N253 D257 G258	N253-G255 VanDerWaalsContact C-N 3.29Å; N253-G255 PolarHBondContact O-N 2.97Å; N253-G255 PolarHBondContact OD1-N 3.16Å; N253-G255 VanDerWaalsContact OD1-N 3.15Å; G255-D257 PolarHBondContact O-N 3.01Å; G255-G258 WeakPolarHBondContact O-CA 3.46Å; G255-G258 PolarHBondContact O-N 2.82Å
256	E	97.8	Very high	96.4	Very high	134 Å²	134	54.7 Å²	54.7	63%	0.626	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.6	179.9	-83.1	166.6	-145.5	0	0	112.9	Q246 S254 G258	Q246-E256 HydrophobicContact CB-CB 4.12Å; Q246-E256 HydrophobicContact CB-CG 4.48Å; Q246-E256 HydrophobicContact CG-CB 4Å; S254-E256 VanDerWaalsContact C-N 3.27Å; S254-E256 PolarHBondContact O-N 2.93Å; S254-E256 WeakPolarHBondContact OG-CG 3.18Å; S254-E256 PolarHBondContact OG-OE1 3.37Å; E256-G258 PolarHBondContact O-N 2.82Å
257	D	97.8	Very high	96.3	Very high	15 Å²	15	55.8 Å²	55.8	8%	0.08	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-3.7	172.5	65.9	21.8	0	0	0	114.4	H240 N243 L244 Q246 G255 Y259 F268	H240-D257 HydrophobicContact CB-CB 3.78Å; N243-D257 WeakPolarHBondContact CA-OD2 3.46Å; L244-D257 PolarHBondContact N-OD2 2.88Å; Q246-D257 PolarHBondContact NE2-OD2 3.21Å; Q246-D257 VanDerWaalsContact OE1-CG 3.32Å; Q246-D257 PolarHBondContact OE1-OD2 2.81Å; G255-D257 PolarHBondContact O-N 3.01Å; D257-Y259 PolarHBondContact OD1-N 3.44Å; D257-Y259 VanDerWaalsContact OD1-O 3.11Å; D257-F268 HydrophobicContact CB-CE1 4.28Å; D257-F268 HydrophobicContact CB-CZ 4.16Å
258	G	98.1	Very high	96.3	Very high	57 Å²	57	55.1 Å²	55.1	59%	0.588	31%	0.31	S	S	*	.	S	Bend	trans	102.1	-8.8	-179.2	0	0	0	0	0	114.9	G255 E256	G255-G258 WeakPolarHBondContact O-CA 3.46Å; G255-G258 PolarHBondContact O-N 2.82Å; E256-G258 PolarHBondContact O-N 2.82Å
259	Y	97.8	Very high	96.4	Very high	75 Å²	75	52.3 Å²	52.3	29%	0.294	30%	0.299	S	S	.	.			trans	-138.1	130.8	-171.4	-57.2	-82.7	0	0	0	112.8	D257 S263 P264 S267 F268	D257-Y259 PolarHBondContact OD1-N 3.44Å; D257-Y259 VanDerWaalsContact OD1-O 3.11Å; Y259-S263 VanDerWaalsContact CD2-CB 3.49Å; Y259-S263 VanDerWaalsContact CG-CB 3.48Å; Y259-P264 VanDerWaalsContact CE1-CD 3.45Å; Y259-S267 PolarHBondContact OH-OG 3.17Å; Y259-S267 VanDerWaalsContact OH-OG 3.14Å; Y259-F268 HydrophobicContact CD2-CE2 4.12Å; Y259-F268 HydrophobicContact CD2-CZ 4Å; Y259-F268 HydrophobicContact CE2-CE2 4.14Å; Y259-F268 HydrophobicContact CE2-CZ 4.15Å
260	V	96.9	Very high	96.5	Very high	76 Å²	76	53 Å²	53	46%	0.461	31%	0.309	S	S	.	.	S	Bend	trans	-98.9	-11	173.8	-63.4	0	0	0	0	113.3	N253	N253-V260 HydrophobicContact CB-CG1 4.42Å
261	K	95.9	Very high	96.7	Very high	73 Å²	73	51.8 Å²	51.8	32%	0.317	30%	0.301	S	S	.	.	S	Bend	trans	-125.3	-153.7	175.9	-55.5	-171.9	-172.9	-173.1	0	108.7	I145 E176 N243 Y318	I145-K261 HydrophobicContact CG2-CD 4.48Å; I145-K261 HydrophobicContact CG2-CG 4.01Å; E176-K261 IonicContact OE1-NZ 3.46Å; E176-K261 PolarHBondContact OE1-NZ 3.5Å; E176-K261 IonicContact OE2-NZ 3.3Å; N243-K261 PolarHBondContact ND2-O 3.11Å; K261-Y318 WeakPolarHBondContact O-CB 3.3Å
262	T	98.3	Very high	97	Very high	15 Å²	15	50 Å²	50	9%	0.092	29%	0.294	C	S	.	.			trans	-59.2	153.8	164.7	57.6	0	0	0	0	111.2	H188 P189 V191 N281 V282 Y318	H188-T262 PolarHBondContact CE1-O 2.87Å; H188-T262 PolarHBondContact ND1-O 2.86Å; H188-T262 PolarHBondContact ND1-OG1 3.3Å; P189-T262 HydrophobicContact CG-CG2 4.05Å; V191-T262 HydrophobicContact CG1-CG2 4.3Å; T262-N281 WeakPolarHBondContact CA-OD1 3.36Å; T262-V282 HydrophobicContact CG2-CG1 3.57Å; T262-Y318 HydrophobicContact CG2-CD1 3.89Å; T262-Y318 HydrophobicContact CG2-CE1 3.96Å
263	S	98.2	Very high	97.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.276	C	S	.	.			trans	-107.1	158	170.4	56.7	0	0	0	0	109.7	P189 N243 Y259 N281	P189-S263 VanDerWaalsContact CD-O 3.31Å; P189-S263 WeakPolarHBondContact CD-O 3.17Å; N243-S263 PolarHBondContact ND2-N 3.15Å; N243-S263 VanDerWaalsContact ND2-N 3.15Å; N243-S263 PolarHBondContact ND2-OG 3.29Å; Y259-S263 VanDerWaalsContact CD2-CB 3.49Å; Y259-S263 VanDerWaalsContact CG-CB 3.48Å; S263-N281 PolarHBondContact N-OD1 2.9Å; S263-N281 PolarHBondContact O-ND2 3.49Å; S263-N281 PolarHBondContact OG-OD1 3.39Å; S263-N281 VanDerWaalsContact OG-OD1 3.09Å
264	P	98	Very high	97.1	Very high	26 Å²	26	46.7 Å²	46.7	17%	0.169	29%	0.285	C	S	.	.			trans	-52.8	143.5	165.2	-22.6	32.2	0	0	0	110.1	D187 H188 Y259 S267	D187-P264 WeakPolarHBondContact O-CA 3.44Å; H188-P264 VanDerWaalsContact NE2-CD 3.3Å; H188-P264 WeakPolarHBondContact NE2-CD 2.97Å; H188-P264 WeakPolarHBondContact NE2-CG 2.95Å; Y259-P264 VanDerWaalsContact CE1-CD 3.45Å; P264-S267 WeakPolarHBondContact CD-OG 3.5Å; P264-S267 VanDerWaalsContact O-CB 3.31Å; P264-S267 WeakPolarHBondContact O-CB 3.18Å; P264-S267 PolarHBondContact O-N 3.43Å; P264-S267 PolarHBondContact O-OG 2.85Å
265	V	93.9	Very high	97.2	Very high	16 Å²	16	44.6 Å²	44.6	10%	0.097	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	147.5	173.3	-62.1	0	0	0	0	110	L113 E114 T116 D187 S267	L113-V265 HydrophobicContact CB-CB 4.2Å; L113-V265 HydrophobicContact CB-CG1 4.45Å; L113-V265 HydrophobicContact CB-CG2 4.35Å; L113-V265 HydrophobicContact CD1-CB 4.36Å; L113-V265 HydrophobicContact CD1-CG2 3.73Å; L113-V265 HydrophobicContact CD2-CB 4.27Å; L113-V265 HydrophobicContact CD2-CG2 4.45Å; L113-V265 HydrophobicContact CG-CG2 4.38Å; E114-V265 HydrophobicContact CB-CG1 4.23Å; T116-V265 HydrophobicContact CG2-CB 4.48Å; T116-V265 HydrophobicContact CG2-CG1 3.97Å; T116-V265 HydrophobicContact CG2-CG2 3.66Å; D187-V265 WeakPolarHBondContact O-CG2 3.38Å; D187-V265 PolarHBondContact O-N 3.16Å; V265-S267 VanDerWaalsContact C-N 3.27Å; V265-S267 PolarHBondContact O-N 3.2Å
266	M	93.8	Very high	97.2	Very high	95 Å²	95	45.1 Å²	45.1	47%	0.468	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	13.4	-174	-47.5	178.5	65.5	0	0	115.7	L113 F268 H276 D277	L113-M266 HydrophobicContact CD1-CG 4.09Å; L113-M266 HydrophobicContact CD1-SD 3.98Å; L113-M266 HydrophobicContact CD2-CB 4.43Å; L113-M266 HydrophobicContact CD2-CG 3.11Å; L113-M266 HydrophobicContact CD2-SD 3.83Å; L113-M266 HydrophobicContact CG-CG 4.23Å; M266-F268 PolarHBondContact O-N 3.44Å; M266-H276 HydrophobicContact CG-CB 4.48Å; M266-D277 PolarHBondContact N-OD2 2.85Å
267	S	95.6	Very high	97.2	Very high	43 Å²	43	39.1 Å²	39.1	30%	0.301	24%	0.241	S	C	.	.	S	Bend	trans	-63.8	-28.8	175.7	-71.5	0	0	0	0	112.8	Y259 P264 V265	Y259-S267 PolarHBondContact OH-OG 3.17Å; Y259-S267 VanDerWaalsContact OH-OG 3.14Å; P264-S267 WeakPolarHBondContact CD-OG 3.5Å; P264-S267 VanDerWaalsContact O-CB 3.31Å; P264-S267 WeakPolarHBondContact O-CB 3.18Å; P264-S267 PolarHBondContact O-N 3.43Å; P264-S267 PolarHBondContact O-OG 2.85Å; V265-S267 VanDerWaalsContact C-N 3.27Å; V265-S267 PolarHBondContact O-N 3.2Å
268	F	96.5	Very high	97.2	Very high	15 Å²	15	38.6 Å²	38.6	7%	0.066	24%	0.238	C	C	.	.	S	Bend	trans	-114	161.3	-177.6	-62.8	-84.8	0	0	0	112.2	H240 Y241 N243 D257 Y259 M266 H276	H240-F268 HydrophobicContact CB-CE1 3.94Å; Y241-F268 WeakPolarHBondContact O-CB 3.5Å; N243-F268 HydrophobicContact CB-CD2 4.36Å; N243-F268 HydrophobicContact CB-CE2 3.59Å; N243-F268 HydrophobicContact CB-CZ 4.08Å; D257-F268 HydrophobicContact CB-CE1 4.28Å; D257-F268 HydrophobicContact CB-CZ 4.16Å; Y259-F268 HydrophobicContact CD2-CE2 4.12Å; Y259-F268 HydrophobicContact CD2-CZ 4Å; Y259-F268 HydrophobicContact CE2-CE2 4.14Å; Y259-F268 HydrophobicContact CE2-CZ 4.15Å; M266-F268 PolarHBondContact O-N 3.44Å; F268-H276 PolarHBondContact O-CE1 2.78Å; F268-H276 PolarHBondContact O-ND1 2.95Å
269	P	97.3	Very high	97.3	Very high	63 Å²	63	36 Å²	36	41%	0.409	21%	0.211	S	C	.	.			trans	-57.7	142	-179.3	-24.7	35	0	0	0	113.2	Y241	Y241-P269 HydrophobicContact CD1-CB 4.27Å; Y241-P269 HydrophobicContact CD1-CG 4.17Å; Y241-P269 HydrophobicContact CE1-CB 4.17Å; Y241-P269 HydrophobicContact CE1-CG 4.13Å; Y241-P269 HydrophobicContact CG-CG 4.4Å
270	A	97.5	Very high	97.3	Very high	42 Å²	42	32.4 Å²	32.4	35%	0.347	20%	0.197	S	C	.	.			trans	-67.9	154.1	170.3	0	0	0	0	0	112.1	L275	A270-L275 CarbonylContact C-O 3.58Å; A270-L275 VanDerWaalsContact CA-O 3.27Å; A270-L275 WeakPolarHBondContact CA-O 3.47Å
271	N	98.2	Very high	97.4	Very high	17 Å²	17	28.8 Å²	28.8	9%	0.091	18%	0.175	C	C	.	.			trans	-74.5	-179.9	165.5	80.2	2.7	0	0	0	111.5	A218 C219 P229 F273 G274 L275	A218-N271 PolarHBondContact O-ND2 2.95Å; C219-N271 PolarHBondContact O-ND2 2.97Å; C219-N271 VanDerWaalsContact O-ND2 3.12Å; P229-N271 HydrophobicContact CB-CB 3.78Å; N271-F273 PolarHBondContact O-N 2.82Å; N271-F273 VanDerWaalsContact O-N 3.1Å; N271-F273 WeakPolarHBondContact OD1-CA 3.31Å; N271-F273 PolarHBondContact OD1-N 2.77Å; N271-G274 PolarHBondContact O-N 3.01Å; N271-G274 PolarHBondContact OD1-N 2.9Å; N271-L275 PolarHBondContact N-O 2.88Å; N271-L275 PolarHBondContact OD1-N 3.41Å
272	S	97.9	Very high	97.5	Very high	92 Å²	92	25.3 Å²	25.3	64%	0.643	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.2	-175.7	-34.7	0	0	0	0	114.8	G221 G274	G221-S272 WeakPolarHBondContact O-CB 3.12Å; G221-S272 PolarHBondContact O-OG 3.48Å; G221-S272 VanDerWaalsContact O-OG 3.08Å; S272-G274 VanDerWaalsContact C-N 3.33Å
273	F	97.9	Very high	97.6	Very high	35 Å²	35	24.7 Å²	24.7	15%	0.154	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	0.9	171.8	-67.4	-24.3	0	0	0	112.8	V76 I78 P79 Y217 N271 L275	V76-F273 WeakPolarHBondContact CG1-O 3.4Å; V76-F273 WeakPolarHBondContact CG2-O 3.38Å; I78-F273 HydrophobicContact CD1-CB 3.84Å; I78-F273 HydrophobicContact CD1-CD2 3.94Å; I78-F273 HydrophobicContact CD1-CG 4.08Å; I78-F273 HydrophobicContact CG2-CD2 4.35Å; I78-F273 HydrophobicContact CG2-CE2 4.18Å; P79-F273 HydrophobicContact CG-CE1 4.29Å; Y217-F273 HydrophobicContact CD1-CE2 4.48Å; Y217-F273 HydrophobicContact CE1-CE2 4.11Å; Y217-F273 HydrophobicContact CE1-CZ 4.34Å; N271-F273 PolarHBondContact O-N 2.82Å; N271-F273 VanDerWaalsContact O-N 3.1Å; N271-F273 WeakPolarHBondContact OD1-CA 3.31Å; N271-F273 PolarHBondContact OD1-N 2.77Å; F273-L275 HydrophobicContact CB-CD1 4.29Å; F273-L275 HydrophobicContact CB-CG 4.25Å
274	G	97.6	Very high	97.6	Very high	30 Å²	30	24.7 Å²	24.7	31%	0.309	16%	0.156	S	C	.	.	S	Bend	trans	81.8	13.5	-178.8	0	0	0	0	0	113.7	V112 N271 S272	V112-G274 WeakPolarHBondContact CG1-O 3.48Å; N271-G274 PolarHBondContact O-N 3.01Å; N271-G274 PolarHBondContact OD1-N 2.9Å; S272-G274 VanDerWaalsContact C-N 3.33Å
275	L	98.2	Very high	97.6	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	15%	0.148	C	C	.	.			trans	-88.4	132	179.3	-56.6	171.2	0	0	0	110.5	V76 I78 M110 A218 A270 N271 F273 M278	V76-L275 HydrophobicContact CG1-CD2 3.48Å; V76-L275 VanDerWaalsContact CG1-CD2 3.48Å; V76-L275 HydrophobicContact CG1-CG 4.24Å; I78-L275 HydrophobicContact CD1-CD1 4.11Å; I78-L275 HydrophobicContact CD1-CG 4.49Å; M110-L275 HydrophobicContact CB-CD2 4.22Å; M110-L275 HydrophobicContact CG-CD2 4.1Å; M110-L275 HydrophobicContact SD-CD1 3.75Å; M110-L275 HydrophobicContact SD-CD2 4.27Å; A218-L275 HydrophobicContact CB-CD1 3.62Å; A270-L275 CarbonylContact C-O 3.58Å; A270-L275 VanDerWaalsContact CA-O 3.27Å; A270-L275 WeakPolarHBondContact CA-O 3.47Å; N271-L275 PolarHBondContact N-O 2.88Å; N271-L275 PolarHBondContact OD1-N 3.41Å; F273-L275 HydrophobicContact CB-CD1 4.29Å; F273-L275 HydrophobicContact CB-CG 4.25Å; L275-M278 HydrophobicContact CB-CG 3.72Å; L275-M278 HydrophobicContact CB-SD 3.9Å; L275-M278 HydrophobicContact CD1-CG 4.32Å; L275-M278 HydrophobicContact CD1-SD 3.9Å; L275-M278 HydrophobicContact CG-SD 4.44Å
276	H	98	Very high	97.9	Very high	26 Å²	26	22.7 Å²	22.7	12%	0.12	14%	0.143	C	C	.	.			trans	-97.6	153.3	176.1	-69	-95.5	0	0	0	111.3	V112 L113 M266 F268 M278 R348	V112-H276 PolarHBondContact O-N 2.95Å; L113-H276 HydrophobicContact CD2-CB 3.98Å; M266-H276 HydrophobicContact CG-CB 4.48Å; F268-H276 PolarHBondContact O-CE1 2.78Å; F268-H276 PolarHBondContact O-ND1 2.95Å; H276-M278 PolarHBondContact O-N 3.37Å; H276-R348 PolarHBondContact O-NH1 3.01Å; H276-R348 PolarHBondContact O-NH2 3.14Å
277	D	97.8	Very high	98.1	Very high	8 Å²	8	19.9 Å²	19.9	4%	0.043	13%	0.133	C	C	.	.			trans	55.8	27.4	166.9	-50.6	-52.2	0	0	0	114.3	M266 V279 N281 R348	M266-D277 PolarHBondContact N-OD2 2.85Å; D277-V279 PolarHBondContact O-N 2.98Å; D277-V279 VanDerWaalsContact O-N 3.15Å; D277-N281 HydrophobicContact CB-CB 4.3Å; D277-R348 PolarHBondContact O-NH2 3.18Å
278	M	98.6	Very high	98.3	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.025	12%	0.12	C	C	.	.	S	Bend	trans	-63.1	-18.7	176.7	-67.3	-62.8	-57.4	0	0	112.9	M110 W215 A218 C219 P229 L275 H276 R348	M110-M278 HydrophobicContact SD-CE 4.18Å; M110-M278 HydrophobicContact SD-SD 4.32Å; W215-M278 HydrophobicContact CD2-CE 3.96Å; W215-M278 HydrophobicContact CG-CE 4.26Å; W215-M278 HydrophobicContact CH2-CE 4.47Å; W215-M278 WeakPolarHBondContact CH2-O 3.16Å; W215-M278 HydrophobicContact CZ2-CE 3.92Å; W215-M278 WeakPolarHBondContact CZ2-O 3.22Å; A218-M278 HydrophobicContact CB-CE 4.39Å; C219-M278 HydrophobicContact CB-CB 4.31Å; C219-M278 HydrophobicContact CB-CE 3.87Å; P229-M278 HydrophobicContact CG-CB 4.23Å; L275-M278 HydrophobicContact CB-CG 3.72Å; L275-M278 HydrophobicContact CB-SD 3.9Å; L275-M278 HydrophobicContact CD1-CG 4.32Å; L275-M278 HydrophobicContact CD1-SD 3.9Å; L275-M278 HydrophobicContact CG-SD 4.44Å; H276-M278 PolarHBondContact O-N 3.37Å; M278-R348 PolarHBondContact SD-NH1 3.15Å; M278-R348 VanDerWaalsContact SD-NH1 3.39Å
279	V	98.7	Very high	98.4	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.012	13%	0.129	C	C	.	.	S	Bend	trans	-134.6	143.4	170.2	-61.8	0	0	0	0	108.8	P229 W230 A242 D277 G315	P229-V279 HydrophobicContact CG-CG1 3.97Å; P229-V279 HydrophobicContact CG-CG2 3.91Å; W230-V279 HydrophobicContact CH2-CG2 3.46Å; W230-V279 VanDerWaalsContact CH2-CG2 3.46Å; W230-V279 HydrophobicContact CZ3-CG2 3.53Å; A242-V279 HydrophobicContact CB-CG2 4.25Å; A242-V279 WeakPolarHBondContact CB-O 3.2Å; D277-V279 PolarHBondContact O-N 2.98Å; D277-V279 VanDerWaalsContact O-N 3.15Å; V279-G315 CarbonylContact C-O 3.47Å; V279-G315 VanDerWaalsContact CA-O 3.24Å; V279-G315 WeakPolarHBondContact CA-O 3.49Å; V279-G315 WeakPolarHBondContact CB-O 3.4Å
280	G	98.6	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	81.8	-161.2	-172.5	0	0	0	0	0	112.6	N243 V282 G315	N243-G280 CarbonylContact O-C 3.59Å; N243-G280 WeakPolarHBondContact O-CA 3.38Å; G280-V282 PolarHBondContact O-N 3.05Å; G280-G315 PolarHBondContact N-O 3.44Å
281	N	98.8	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	52.3	-93.1	-174.7	-151	24.7	0	0	0	113.4	E114 P189 N243 T262 S263 D277 S317 Y318	E114-N281 PolarHBondContact OE2-ND2 3.39Å; P189-N281 WeakPolarHBondContact CD-ND2 3.32Å; P189-N281 WeakPolarHBondContact CG-ND2 3.38Å; N243-N281 HydrophobicContact CB-CB 4.29Å; N243-N281 PolarHBondContact ND2-OD1 2.74Å; N243-N281 PolarHBondContact O-N 2.87Å; T262-N281 WeakPolarHBondContact CA-OD1 3.36Å; S263-N281 PolarHBondContact N-OD1 2.9Å; S263-N281 PolarHBondContact O-ND2 3.49Å; S263-N281 PolarHBondContact OG-OD1 3.39Å; S263-N281 VanDerWaalsContact OG-OD1 3.09Å; D277-N281 HydrophobicContact CB-CB 4.3Å; N281-S317 CarbonylContact O-C 3.12Å; N281-S317 VanDerWaalsContact O-CA 3.3Å; N281-S317 WeakPolarHBondContact O-CA 3.21Å; N281-S317 WeakPolarHBondContact O-CB 3.29Å; N281-Y318 VanDerWaalsContact O-CD1 3.31Å; N281-Y318 WeakPolarHBondContact O-CD1 3.16Å; N281-Y318 PolarHBondContact O-N 3.24Å
282	V	98.9	Very high	98.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-120.3	153.5	169.8	-60	0	0	0	0	112.4	E114 P189 V191 T262 G280 G316	E114-V282 HydrophobicContact CG-CG2 4.21Å; E114-V282 WeakPolarHBondContact OE1-CG2 3.3Å; E114-V282 PolarHBondContact OE1-N 2.97Å; E114-V282 VanDerWaalsContact OE1-N 3.16Å; P189-V282 HydrophobicContact CB-CG1 4.05Å; P189-V282 HydrophobicContact CB-CG2 3.64Å; P189-V282 HydrophobicContact CG-CB 4.4Å; P189-V282 HydrophobicContact CG-CG1 3.56Å; P189-V282 HydrophobicContact CG-CG2 3.95Å; V191-V282 HydrophobicContact CG1-CG1 3.56Å; T262-V282 HydrophobicContact CG2-CG1 3.57Å; G280-V282 PolarHBondContact O-N 3.05Å; V282-G316 CarbonylContact C-O 3.6Å; V282-G316 VanDerWaalsContact O-O 3.12Å
283	W	98.9	Very high	98.5	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	149.5	165	-78.9	95.9	0	0	0	109.8	K313 G316 R327 N344 L345 G346	W283-K313 HydrophobicContact CB-CD 4.11Å; W283-K313 HydrophobicContact CD2-CD 3.84Å; W283-K313 HydrophobicContact CD2-CG 4.2Å; W283-K313 HydrophobicContact CE3-CB 4.03Å; W283-K313 HydrophobicContact CE3-CD 3.77Å; W283-K313 HydrophobicContact CE3-CG 3.59Å; W283-K313 HydrophobicContact CG-CD 4Å; W283-K313 HydrophobicContact CZ3-CD 4.45Å; W283-K313 HydrophobicContact CZ3-CG 4Å; W283-G316 WeakPolarHBondContact CA-O 3.28Å; W283-G316 PolarHBondContact N-O 2.98Å; W283-R327 HydrophobicContact CH2-CB 3.5Å; W283-R327 VanDerWaalsContact CH2-CB 3.5Å; W283-R327 VanDerWaalsContact CH2-CD 3.45Å; W283-R327 HydrophobicContact CH2-CG 4.1Å; W283-R327 HydrophobicContact CZ2-CB 3.83Å; W283-R327 HydrophobicContact CZ2-CG 4.45Å; W283-N344 WeakPolarHBondContact CB-O 3.23Å; W283-N344 PolarHBondContact N-O 2.82Å; W283-L345 HydrophobicContact CB-CB 4.3Å; W283-L345 HydrophobicContact CB-CD1 3.44Å; W283-L345 VanDerWaalsContact CB-CD1 3.44Å; W283-L345 HydrophobicContact CB-CG 4.46Å; W283-G346 CarbonylContact O-C 3.52Å; W283-G346 PolarHBondContact O-N 2.92Å; W283-G346 VanDerWaalsContact O-O 3.13Å
284	E	98.9	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.1	179.4	-63.2	-177.4	-154.3	0	0	112.1	W215 K313 K314 G346 R348	W215-E284 PolarHBondContact NE1-OE2 3.37Å; E284-K313 CarbonylContact O-C 3.52Å; E284-K313 WeakPolarHBondContact O-CA 3.34Å; E284-K313 WeakPolarHBondContact O-CB 3.45Å; E284-K314 PolarHBondContact N-O 3.04Å; E284-K314 PolarHBondContact O-N 3.34Å; E284-G346 WeakPolarHBondContact CA-O 3.36Å; E284-R348 IonicContact OE1-CZ 2.91Å; E284-R348 VanDerWaalsContact OE1-CZ 3.27Å; E284-R348 IonicContact OE1-NE 3.88Å; E284-R348 PolarHBondContact OE1-NE 3.08Å; E284-R348 IonicContact OE1-NH2 3.72Å; E284-R348 PolarHBondContact OE1-NH2 3.28Å; E284-R348 WeakPolarHBondContact OE2-CD 3.47Å; E284-R348 VanDerWaalsContact OE2-CG 3.26Å; E284-R348 WeakPolarHBondContact OE2-CG 3.49Å; E284-R348 IonicContact OE2-CZ 3.4Å; E284-R348 IonicContact OE2-NE 3.2Å; E284-R348 PolarHBondContact OE2-NE 3.32Å; E284-R348 IonicContact OE2-NH2 2.74Å
285	W	98.9	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	144.1	171.5	-73.9	120.5	0	0	0	112.7	V193 W195 L209 K311 K313 N336 L345 G346 F347	V193-W285 PolarHBondContact O-NE1 3.46Å; V193-W285 VanDerWaalsContact O-NE1 3.12Å; W195-W285 HydrophobicContact CB-CD2 4Å; W195-W285 HydrophobicContact CB-CE3 4.23Å; W195-W285 HydrophobicContact CB-CG 4.45Å; W195-W285 HydrophobicContact CB-CH2 4.33Å; W195-W285 HydrophobicContact CB-CZ2 4.13Å; W195-W285 HydrophobicContact CB-CZ3 4.41Å; W195-W285 AromaticContact CD1-CE3 3.85Å; W195-W285 HydrophobicContact CG-CD2 4.46Å; W195-W285 HydrophobicContact CG-CE3 4.46Å; L209-W285 HydrophobicContact CD1-CB 4.22Å; L209-W285 HydrophobicContact CD2-CB 4.36Å; W285-K311 HydrophobicContact CE3-CB 4.03Å; W285-K311 HydrophobicContact CZ3-CB 3.65Å; W285-K313 HydrophobicContact CE3-CB 4.14Å; W285-K313 HydrophobicContact CZ3-CB 4.47Å; W285-N336 HydrophobicContact CH2-CB 3.69Å; W285-N336 HydrophobicContact CZ2-CB 4.5Å; W285-N336 HydrophobicContact CZ3-CB 4.39Å; W285-L345 HydrophobicContact CD2-CD1 4.18Å; W285-L345 HydrophobicContact CG-CD1 4.3Å; W285-L345 HydrophobicContact CH2-CD2 4.28Å; W285-L345 HydrophobicContact CZ2-CD2 3.49Å; W285-L345 VanDerWaalsContact CZ2-CD2 3.49Å; W285-L345 HydrophobicContact CZ2-CG 4.38Å; W285-G346 PolarHBondContact N-O 3.5Å; W285-G346 VanDerWaalsContact N-O 3.11Å; W285-F347 HydrophobicContact CB-CB 4.12Å
286	T	98.9	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	168.1	169.9	68.5	0	0	0	0	110.1	W195 P210 W215 D288 V312 K314	W195-T286 PolarHBondContact NE1-O 2.78Å; P210-T286 CarbonylContact O-C 3.54Å; P210-T286 WeakPolarHBondContact O-CA 3.37Å; P210-T286 WeakPolarHBondContact O-CB 3.31Å; W215-T286 HydrophobicContact CB-CG2 4.06Å; W215-T286 HydrophobicContact CG-CG2 4.13Å; T286-D288 VanDerWaalsContact C-N 3.31Å; T286-D288 PolarHBondContact O-N 3.05Å; T286-V312 PolarHBondContact N-O 3.1Å; T286-V312 VanDerWaalsContact OG1-CB 3.26Å; T286-V312 WeakPolarHBondContact OG1-CB 3.4Å; T286-V312 PolarHBondContact OG1-O 3.06Å; T286-K314 HydrophobicContact CG2-CG 3.81Å
287	S	98.9	Very high	98.3	Very high	36 Å²	36	33.1 Å²	33.1	25%	0.252	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-23.5	-176.3	59.3	0	0	0	0	114.6	P210 T211 K311	P210-S287 PolarHBondContact O-N 2.84Å; P210-S287 PolarHBondContact O-OG 3.01Å; T211-S287 WeakPolarHBondContact CA-OG 3.45Å; S287-K311 PolarHBondContact O-NZ 2.8Å
288	D	98.9	Very high	98.3	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	145.2	-162.7	-64.1	-135.2	0	0	0	112.3	T211 E212 T286 G304 K311 V312	T211-D288 WeakPolarHBondContact CA-OD2 3.28Å; T211-D288 WeakPolarHBondContact CB-OD2 3.34Å; E212-D288 HydrophobicContact CB-CB 4.25Å; E212-D288 PolarHBondContact N-OD2 3.18Å; T286-D288 VanDerWaalsContact C-N 3.31Å; T286-D288 PolarHBondContact O-N 3.05Å; D288-G304 WeakPolarHBondContact OD1-CA 3.41Å; D288-G304 PolarHBondContact OD1-N 2.99Å; D288-K311 WeakPolarHBondContact O-CA 3.44Å; D288-K311 VanDerWaalsContact O-CD 3.26Å; D288-K311 WeakPolarHBondContact O-CD 3.44Å; D288-V312 HydrophobicContact CB-CB 4.38Å; D288-V312 HydrophobicContact CB-CG2 3.96Å; D288-V312 PolarHBondContact O-N 3.46Å
289	W	98.9	Very high	98.3	Very high	68 Å²	68	40.7 Å²	40.7	26%	0.258	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	145	164.4	-73	117.6	0	0	0	110.4	P305 D310 K311 P338	W289-P305 HydrophobicContact CB-CG 3.86Å; W289-P305 WeakPolarHBondContact O-CD 3.34Å; W289-P305 WeakPolarHBondContact O-CG 3.46Å; W289-D310 VanDerWaalsContact CE3-O 3.32Å; W289-K311 HydrophobicContact CD2-CD 3.89Å; W289-K311 HydrophobicContact CE3-CD 3.62Å; W289-K311 HydrophobicContact CE3-CG 4.06Å; W289-K311 HydrophobicContact CG-CD 4.5Å; W289-K311 HydrophobicContact CH2-CD 4.3Å; W289-K311 HydrophobicContact CH2-CG 4.46Å; W289-K311 HydrophobicContact CZ3-CD 3.83Å; W289-K311 HydrophobicContact CZ3-CG 3.87Å; W289-P338 HydrophobicContact CH2-CG 4.32Å; W289-P338 HydrophobicContact CZ3-CG 4.39Å
290	W	98.8	Very high	98.3	Very high	36 Å²	36	45.7 Å²	45.7	14%	0.136	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-75.2	133.7	-179.2	175.7	-100.1	0	0	0	112.2	D95 V292 D310 V312 R333 S334 Q335	D95-W290 HydrophobicContact CB-CH2 4.05Å; D95-W290 WeakPolarHBondContact O-CH2 3.36Å; D95-W290 WeakPolarHBondContact O-CZ2 3.26Å; W290-V292 HydrophobicContact CH2-CG1 4.45Å; W290-V292 HydrophobicContact CZ2-CG1 3.44Å; W290-V292 VanDerWaalsContact CZ2-CG1 3.44Å; W290-D310 HydrophobicContact CB-CB 4.08Å; W290-D310 VanDerWaalsContact CB-O 3.3Å; W290-D310 WeakPolarHBondContact CB-O 3.21Å; W290-D310 PolarHBondContact N-O 3.08Å; W290-V312 HydrophobicContact CB-CG2 4.33Å; W290-V312 HydrophobicContact CE3-CG2 4.01Å; W290-R333 HydrophobicContact CH2-CB 4.39Å; W290-R333 HydrophobicContact CH2-CG 3.79Å; W290-R333 HydrophobicContact CZ3-CB 3.88Å; W290-R333 HydrophobicContact CZ3-CG 3.71Å; W290-S334 WeakPolarHBondContact CZ3-O 3.35Å; W290-Q335 HydrophobicContact CB-CB 3.75Å; W290-Q335 HydrophobicContact CB-CG 4.12Å; W290-Q335 HydrophobicContact CD2-CB 3.62Å; W290-Q335 HydrophobicContact CD2-CG 3.72Å; W290-Q335 HydrophobicContact CE3-CB 3.7Å; W290-Q335 HydrophobicContact CE3-CG 4.24Å; W290-Q335 HydrophobicContact CG-CB 3.62Å; W290-Q335 HydrophobicContact CG-CG 3.62Å; W290-Q335 VanDerWaalsContact CZ2-OE1 3.28Å; W290-Q335 HydrophobicContact CZ3-CB 4.47Å
291	T	98.4	Very high	98.3	Very high	35 Å²	35	48.1 Å²	48.1	22%	0.215	24%	0.244	C	C	.	.			trans	-148.1	150.8	164.5	178.9	0	0	0	0	108.5	H293 H294 P305 R333	T291-H293 PolarHBondContact OG1-N 3.17Å; T291-H293 VanDerWaalsContact OG1-N 3.12Å; T291-H294 PolarHBondContact O-CE1 3.31Å; T291-H294 VanDerWaalsContact O-CE1 3.3Å; T291-P305 HydrophobicContact CG2-CB 4.43Å; T291-P305 HydrophobicContact CG2-CG 3.75Å; T291-R333 VanDerWaalsContact O-CZ 3.32Å; T291-R333 PolarHBondContact O-NH1 2.9Å; T291-R333 PolarHBondContact O-NH2 3.18Å
292	V	98.6	Very high	98.3	Very high	51 Å²	51	49 Å²	49	31%	0.309	25%	0.251	S	S	.	.	S	Bend	trans	-100.8	-2.4	171.7	-62.3	0	0	0	0	112.6	W290	W290-V292 HydrophobicContact CH2-CG1 4.45Å; W290-V292 HydrophobicContact CZ2-CG1 3.44Å; W290-V292 VanDerWaalsContact CZ2-CG1 3.44Å
293	H	97.8	Very high	98.3	Very high	158 Å²	158	53.7 Å²	53.7	73%	0.731	28%	0.279	S	S	*	.			trans	-99.5	111.5	-179.9	-56.7	-64.3	0	0	0	109.8	T291	T291-H293 PolarHBondContact OG1-N 3.17Å; T291-H293 VanDerWaalsContact OG1-N 3.12Å
294	H	97.5	Very high	98.2	Very high	43 Å²	43	55.4 Å²	55.4	20%	0.199	30%	0.297	C	S	.	.			trans	-122.9	146.5	178.9	-47.1	-68.7	0	0	0	110.9	G96 T291 R333	G96-H294 PolarHBondContact O-CD2 2.06Å; G96-H294 PolarHBondContact O-NE2 3Å; T291-H294 PolarHBondContact O-CE1 3.31Å; T291-H294 VanDerWaalsContact O-CE1 3.3Å; H294-R333 PolarHBondContact CE1-NH2 3.05Å; H294-R333 PolarHBondContact NE2-NH1 3.42Å; H294-R333 VanDerWaalsContact NE2-NH1 3.14Å
295	T	96.4	Very high	98.2	Very high	53 Å²	53	57 Å²	57	33%	0.325	31%	0.308	S	S	.	.			trans	-89.2	157.7	172	-179.8	0	0	0	0	111	R101 D297	R101-T295 WeakPolarHBondContact CD-O 3.22Å; T295-D297 VanDerWaalsContact C-N 3.34Å; T295-D297 HydrophobicContact CG2-CB 3.96Å; T295-D297 PolarHBondContact OG1-N 3.26Å; T295-D297 VanDerWaalsContact OG1-N 3.08Å; T295-D297 PolarHBondContact OG1-OD2 3.07Å
296	T	96.8	Very high	98.1	Very high	88 Å²	88	63.2 Å²	63.2	54%	0.54	35%	0.348	S	S	.	.			trans	-87.9	-3.9	169.2	53.2	0	0	0	0	113	P99	P99-T296 HydrophobicContact CB-CG2 3.77Å; P99-T296 HydrophobicContact CG-CG2 3.61Å
297	D	97.3	Very high	98	Very high	105 Å²	105	67.4 Å²	67.4	56%	0.561	38%	0.377	S	S	*	.	S	Bend	trans	-58.1	143.3	176.7	-62.5	-40.5	0	0	0	111.2	T295 Q299	T295-D297 VanDerWaalsContact C-N 3.34Å; T295-D297 HydrophobicContact CG2-CB 3.96Å; T295-D297 PolarHBondContact OG1-N 3.26Å; T295-D297 VanDerWaalsContact OG1-N 3.08Å; T295-D297 PolarHBondContact OG1-OD2 3.07Å; D297-Q299 WeakPolarHBondContact O-CG 3.14Å; D297-Q299 PolarHBondContact O-N 2.97Å
298	H	97.5	Very high	98	Very high	94 Å²	94	67.4 Å²	67.4	44%	0.435	38%	0.383	S	S	.	.			trans	-64.1	127	174.4	174.6	-83.7	0	0	0	110.1	E82 R102	E82-H298 IonicContact OE2-CD2 3.68Å; E82-H298 PolarHBondContact OE2-CD2 3.46Å; E82-H298 VanDerWaalsContact OE2-CD2 3.3Å; E82-H298 IonicContact OE2-NE2 2.87Å; E82-H298 PolarHBondContact OE2-NE2 2.96Å; R102-H298 WeakPolarHBondContact O-CA 3.49Å
299	Q	98	Very high	97.9	Very high	77 Å²	77	75.6 Å²	75.6	36%	0.36	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	149.5	-179	-55.1	-130.4	-60.9	0	0	111.5	R102 V103 Y104 D297 P302	R102-Q299 PolarHBondContact O-N 3.27Å; V103-Q299 WeakPolarHBondContact CA-O 3.36Å; V103-Q299 HydrophobicContact CG2-CB 4.49Å; Y104-Q299 PolarHBondContact N-O 3.04Å; D297-Q299 WeakPolarHBondContact O-CG 3.14Å; D297-Q299 PolarHBondContact O-N 2.97Å; Q299-P302 HydrophobicContact CB-CB 4.19Å; Q299-P302 HydrophobicContact CB-CG 4.25Å
300	H	98.6	Very high	97.9	Very high	107 Å²	107	74.2 Å²	74.2	50%	0.495	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.2	178	-170.5	-77.2	0	0	0	109	Y104 D106	Y104-H300 AromaticContact CD1-CD2 3.36Å; Y104-H300 WeakPolarHBondContact CD1-CD2 3.37Å; Y104-H300 AromaticContact CD1-NE2 3.22Å; Y104-H300 WeakPolarHBondContact CD1-NE2 3.3Å; Y104-H300 AromaticContact CE1-NE2 3.56Å; Y104-H300 AromaticContact CG-CD2 3.83Å; D106-H300 IonicContact OD1-CE1 3.27Å; D106-H300 PolarHBondContact OD1-CE1 2.97Å; D106-H300 IonicContact OD1-NE2 3.51Å; D106-H300 IonicContact OD2-CE1 2.67Å
301	N	98.6	Very high	97.9	Very high	51 Å²	51	73 Å²	73	27%	0.273	41%	0.411	S	S	.	.	S	Bend	trans	45.3	56.8	-173.5	-56.9	-38.2	0	0	0	113.9	Y104 V105 D106	Y104-N301 PolarHBondContact O-N 3.06Å; V105-N301 WeakPolarHBondContact CA-OD1 3.31Å; D106-N301 VanDerWaalsContact CG-ND2 3.28Å; D106-N301 PolarHBondContact N-OD1 3.49Å; D106-N301 PolarHBondContact OD2-ND2 2.99Å
302	P	98.5	Very high	97.9	Very high	20 Å²	20	71.3 Å²	71.3	13%	0.13	40%	0.401	C	S	.	.			trans	-63.6	143.5	179.7	30	-35.9	0	0	0	111.1	V103 A213 Q299	V103-P302 VanDerWaalsContact CG1-CD 3.46Å; V103-P302 HydrophobicContact CG1-CG 3.65Å; V103-P302 HydrophobicContact CG2-CG 4.46Å; A213-P302 HydrophobicContact CB-CG 3.66Å; Q299-P302 HydrophobicContact CB-CB 4.19Å; Q299-P302 HydrophobicContact CB-CG 4.25Å
303	T	98.1	Very high	97.9	Very high	97 Å²	97	69.2 Å²	69.2	60%	0.595	39%	0.388	S	S	*	.			trans	-118.5	18.8	-177.7	61.5	0	0	0	0	112.6	T211	T211-T303 HydrophobicContact CG2-CG2 4.34Å
304	G	97.9	Very high	98	Very high	38 Å²	38	61.7 Å²	61.7	39%	0.392	35%	0.353	S	S	.	.			trans	71.9	-171.8	-175.2	0	0	0	0	0	113.6	D288	D288-G304 WeakPolarHBondContact OD1-CA 3.41Å; D288-G304 PolarHBondContact OD1-N 2.99Å
305	P	98.1	Very high	98.1	Very high	33 Å²	33	59.7 Å²	59.7	21%	0.214	34%	0.344	C	S	.	.			trans	-69.1	152.1	177	29.8	-33.3	0	0	0	111.4	W289 T291 S307	W289-P305 HydrophobicContact CB-CG 3.86Å; W289-P305 WeakPolarHBondContact O-CD 3.34Å; W289-P305 WeakPolarHBondContact O-CG 3.46Å; T291-P305 HydrophobicContact CG2-CB 4.43Å; T291-P305 HydrophobicContact CG2-CG 3.75Å; P305-S307 PolarHBondContact O-N 3.34Å; P305-S307 VanDerWaalsContact O-N 3.17Å
306	P	97.5	Very high	98.2	Very high	130 Å²	130	57.2 Å²	57.2	84%	0.844	33%	0.329	S	S	*	.	S	Bend	trans	-68.3	-17.9	-175	28.1	-36.2	0	0	0	113.8
307	S	97.5	Very high	98.3	Very high	88 Å²	88	53 Å²	53	62%	0.615	30%	0.303	S	S	*	.			trans	-150.1	151.9	-178.9	61.5	0	0	0	0	111.1	P305	P305-S307 PolarHBondContact O-N 3.34Å; P305-S307 VanDerWaalsContact O-N 3.17Å
308	G	97.6	Very high	98.3	Very high	36 Å²	36	48.1 Å²	48.1	37%	0.371	28%	0.277	S	S	.	.			trans	-167.1	-177	174.3	0	0	0	0	0	111
309	K	98	Very high	98.3	Very high	180 Å²	180	44.1 Å²	44.1	78%	0.783	26%	0.258	S	S	*	.	S	Bend	trans	-102	-34.6	173.1	-63.9	-178.7	-178.2	176.1	0	111.9	P338	K309-P338 VanDerWaalsContact O-CD 3.26Å; K309-P338 WeakPolarHBondContact O-CD 3.43Å
310	D	98.6	Very high	98.3	Very high	39 Å²	39	40.5 Å²	40.5	21%	0.209	24%	0.241	C	C	.	.	S	Bend	trans	-117.8	145.5	-173	-47.2	-51.2	0	0	0	110.1	W289 W290 Q335 N336 T337	W289-D310 VanDerWaalsContact CE3-O 3.32Å; W290-D310 HydrophobicContact CB-CB 4.08Å; W290-D310 VanDerWaalsContact CB-O 3.3Å; W290-D310 WeakPolarHBondContact CB-O 3.21Å; W290-D310 PolarHBondContact N-O 3.08Å; D310-Q335 HydrophobicContact CB-CB 3.77Å; D310-Q335 HydrophobicContact CB-CG 3.67Å; D310-N336 CarbonylContact C-O 3.57Å; D310-N336 VanDerWaalsContact CA-O 3.31Å; D310-N336 WeakPolarHBondContact CA-O 3.37Å; D310-N336 WeakPolarHBondContact CB-O 3.47Å; D310-T337 WeakPolarHBondContact OD1-CG2 3.43Å
311	K	98.8	Very high	98.3	Very high	10 Å²	10	37.7 Å²	37.7	4%	0.043	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	146.9	174.7	-71.5	-67.9	-168.9	178.9	0	110.5	W195 W285 S287 D288 W289 Q335 N336 P338	W195-K311 HydrophobicContact CB-CG 4.4Å; W195-K311 HydrophobicContact CD2-CD 4.23Å; W195-K311 HydrophobicContact CD2-CG 3.88Å; W195-K311 HydrophobicContact CG-CB 4.06Å; W195-K311 HydrophobicContact CG-CD 4.47Å; W195-K311 HydrophobicContact CG-CG 3.74Å; W195-K311 HydrophobicContact CZ2-CD 4.13Å; W195-K311 VanDerWaalsContact CZ2-CE 3.45Å; W285-K311 HydrophobicContact CE3-CB 4.03Å; W285-K311 HydrophobicContact CZ3-CB 3.65Å; S287-K311 PolarHBondContact O-NZ 2.8Å; D288-K311 WeakPolarHBondContact O-CA 3.44Å; D288-K311 VanDerWaalsContact O-CD 3.26Å; D288-K311 WeakPolarHBondContact O-CD 3.44Å; W289-K311 HydrophobicContact CD2-CD 3.89Å; W289-K311 HydrophobicContact CE3-CD 3.62Å; W289-K311 HydrophobicContact CE3-CG 4.06Å; W289-K311 HydrophobicContact CG-CD 4.5Å; W289-K311 HydrophobicContact CH2-CD 4.3Å; W289-K311 HydrophobicContact CH2-CG 4.46Å; W289-K311 HydrophobicContact CZ3-CD 3.83Å; W289-K311 HydrophobicContact CZ3-CG 3.87Å; K311-Q335 WeakPolarHBondContact O-CA 3.16Å; K311-Q335 WeakPolarHBondContact O-CB 3.29Å; K311-N336 PolarHBondContact N-O 3.42Å; K311-N336 PolarHBondContact O-N 3.41Å; K311-P338 HydrophobicContact CG-CB 4.04Å
312	V	98.9	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	136.6	179.8	177.2	0	0	0	0	110	E212 T286 D288 W290 K314 S334	E212-V312 HydrophobicContact CB-CG1 4.25Å; E212-V312 HydrophobicContact CG-CG1 3.84Å; T286-V312 PolarHBondContact N-O 3.1Å; T286-V312 VanDerWaalsContact OG1-CB 3.26Å; T286-V312 WeakPolarHBondContact OG1-CB 3.4Å; T286-V312 PolarHBondContact OG1-O 3.06Å; D288-V312 HydrophobicContact CB-CB 4.38Å; D288-V312 HydrophobicContact CB-CG2 3.96Å; D288-V312 PolarHBondContact O-N 3.46Å; W290-V312 HydrophobicContact CB-CG2 4.33Å; W290-V312 HydrophobicContact CE3-CG2 4.01Å; V312-K314 HydrophobicContact CG1-CD 4.05Å; V312-K314 HydrophobicContact CG1-CG 4.17Å; V312-S334 WeakPolarHBondContact CA-O 3.48Å
313	K	98.9	Very high	97.9	Very high	7 Å²	7	45.2 Å²	45.2	3%	0.03	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.3	166.2	63.8	176.1	-171.9	-179.9	0	111.2	W283 E284 W285 S334 N336 L345	W283-K313 HydrophobicContact CB-CD 4.11Å; W283-K313 HydrophobicContact CD2-CD 3.84Å; W283-K313 HydrophobicContact CD2-CG 4.2Å; W283-K313 HydrophobicContact CE3-CB 4.03Å; W283-K313 HydrophobicContact CE3-CD 3.77Å; W283-K313 HydrophobicContact CE3-CG 3.59Å; W283-K313 HydrophobicContact CG-CD 4Å; W283-K313 HydrophobicContact CZ3-CD 4.45Å; W283-K313 HydrophobicContact CZ3-CG 4Å; E284-K313 CarbonylContact O-C 3.52Å; E284-K313 WeakPolarHBondContact O-CA 3.34Å; E284-K313 WeakPolarHBondContact O-CB 3.45Å; W285-K313 HydrophobicContact CE3-CB 4.14Å; W285-K313 HydrophobicContact CZ3-CB 4.47Å; K313-S334 PolarHBondContact N-O 3.15Å; K313-S334 PolarHBondContact O-N 2.82Å; K313-N336 WeakPolarHBondContact CE-OD1 3.5Å; K313-N336 PolarHBondContact NZ-OD1 2.96Å; K313-L345 HydrophobicContact CB-CD1 4.35Å; K313-L345 HydrophobicContact CD-CD1 4.05Å
314	K	98.9	Very high	97.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	168.1	-172.6	-59.1	-73.6	-83.7	-171.5	0	112	E212 W215 E216 E284 T286 V312 G316 C330 A332 R333	E212-K314 HydrophobicContact CG-CD 3.83Å; E212-K314 HydrophobicContact CG-CG 4.29Å; E212-K314 IonicContact OE1-NZ 2.67Å; E212-K314 PolarHBondContact OE1-NZ 2.8Å; W215-K314 HydrophobicContact CD2-CB 3.49Å; W215-K314 VanDerWaalsContact CD2-CB 3.49Å; W215-K314 HydrophobicContact CD2-CG 3.94Å; W215-K314 HydrophobicContact CE3-CB 3.38Å; W215-K314 HydrophobicContact CE3-CD 4.33Å; W215-K314 HydrophobicContact CE3-CG 3.74Å; W215-K314 HydrophobicContact CG-CB 4.28Å; W215-K314 HydrophobicContact CG-CG 4.4Å; W215-K314 HydrophobicContact CH2-CB 3.63Å; W215-K314 HydrophobicContact CZ2-CB 3.66Å; W215-K314 HydrophobicContact CZ3-CB 3.49Å; W215-K314 VanDerWaalsContact CZ3-CB 3.49Å; W215-K314 HydrophobicContact CZ3-CG 4.22Å; E216-K314 IonicContact OE2-NZ 3.05Å; E216-K314 PolarHBondContact OE2-NZ 3.35Å; E284-K314 PolarHBondContact N-O 3.04Å; E284-K314 PolarHBondContact O-N 3.34Å; T286-K314 HydrophobicContact CG2-CG 3.81Å; V312-K314 HydrophobicContact CG1-CD 4.05Å; V312-K314 HydrophobicContact CG1-CG 4.17Å; K314-G316 PolarHBondContact O-N 3.05Å; K314-C330 PolarHBondContact NZ-O 2.89Å; K314-A332 WeakPolarHBondContact CD-O 3.27Å; K314-A332 VanDerWaalsContact CE-O 3.31Å; K314-A332 WeakPolarHBondContact CE-O 3.17Å; K314-A332 PolarHBondContact NZ-O 2.92Å; K314-R333 HydrophobicContact CD-CB 3.85Å
315	G	98.7	Very high	97.2	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	23%	0.232	C	C	.	.	S	Bend	trans	95.4	-28.8	167.9	0	0	0	0	0	117.1	W215 V279 G280 R327 Y328	W215-G315 VanDerWaalsContact CH2-CA 3.43Å; V279-G315 CarbonylContact C-O 3.47Å; V279-G315 VanDerWaalsContact CA-O 3.24Å; V279-G315 WeakPolarHBondContact CA-O 3.49Å; V279-G315 WeakPolarHBondContact CB-O 3.4Å; G280-G315 PolarHBondContact N-O 3.44Å; G315-R327 CarbonylContact C-O 3.56Å; G315-Y328 WeakPolarHBondContact O-CA 3.43Å
316	G	98.6	Very high	97.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.			trans	79	-165	-169.2	0	0	0	0	0	111.4	V282 W283 K314 C320 R327	V282-G316 CarbonylContact C-O 3.6Å; V282-G316 VanDerWaalsContact O-O 3.12Å; W283-G316 WeakPolarHBondContact CA-O 3.28Å; W283-G316 PolarHBondContact N-O 2.98Å; K314-G316 PolarHBondContact O-N 3.05Å; G316-C320 VanDerWaalsContact CA-SG 3.55Å; G316-R327 PolarHBondContact N-O 3.14Å
317	S	98.8	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.			trans	-156.9	177.3	-178	62.9	0	0	0	0	111	N281 M319 C320 N344	N281-S317 CarbonylContact O-C 3.12Å; N281-S317 VanDerWaalsContact O-CA 3.3Å; N281-S317 WeakPolarHBondContact O-CA 3.21Å; N281-S317 WeakPolarHBondContact O-CB 3.29Å; S317-M319 PolarHBondContact O-N 3.23Å; S317-M319 PolarHBondContact OG-N 3.32Å; S317-C320 PolarHBondContact N-SG 3.46Å; S317-C320 VanDerWaalsContact O-CB 3.3Å; S317-C320 WeakPolarHBondContact O-CB 3.31Å; S317-C320 PolarHBondContact O-N 3.3Å; S317-N344 PolarHBondContact OG-ND2 2.95Å
318	Y	98.5	Very high	97.3	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.012	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-19.2	171.9	74.2	-95.3	0	0	0	113.5	N243 L244 W245 K261 T262 N281 S343 N344	N243-Y318 VanDerWaalsContact OD1-CB 3.29Å; N243-Y318 WeakPolarHBondContact OD1-CB 3.42Å; L244-Y318 CarbonylContact C-O 3.56Å; W245-Y318 PolarHBondContact N-O 2.85Å; W245-Y318 VanDerWaalsContact N-O 3.11Å; K261-Y318 WeakPolarHBondContact O-CB 3.3Å; T262-Y318 HydrophobicContact CG2-CD1 3.89Å; T262-Y318 HydrophobicContact CG2-CE1 3.96Å; N281-Y318 VanDerWaalsContact O-CD1 3.31Å; N281-Y318 WeakPolarHBondContact O-CD1 3.16Å; N281-Y318 PolarHBondContact O-N 3.24Å; Y318-S343 PolarHBondContact OH-OG 3.08Å; Y318-N344 HydrophobicContact CD1-CB 4.25Å; Y318-N344 HydrophobicContact CE1-CB 3.63Å
319	M	98.1	Very high	97.3	Very high	9 Å²	9	31 Å²	31	4%	0.044	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-10	176.4	-61.9	178.3	59.6	0	0	113.8	F142 W164 F249 S317 H321 N344	F142-M319 HydrophobicContact CB-CE 3.65Å; F142-M319 HydrophobicContact CB-SD 3.81Å; F142-M319 HydrophobicContact CD1-CE 4.24Å; F142-M319 HydrophobicContact CD2-CE 3.26Å; F142-M319 HydrophobicContact CD2-SD 4.46Å; F142-M319 HydrophobicContact CE2-CE 3.9Å; F142-M319 HydrophobicContact CG-CE 3.45Å; F142-M319 VanDerWaalsContact CG-CE 3.45Å; F142-M319 HydrophobicContact CG-SD 4.07Å; W164-M319 HydrophobicContact CH2-CE 4Å; W164-M319 HydrophobicContact CH2-SD 3.47Å; W164-M319 WeakPolarHBondContact CH2-SD 3.39Å; W164-M319 HydrophobicContact CZ2-CE 3.49Å; W164-M319 VanDerWaalsContact CZ2-CE 3.49Å; W164-M319 HydrophobicContact CZ2-SD 3.4Å; W164-M319 WeakPolarHBondContact CZ2-SD 3.35Å; W164-M319 HydrophobicContact CZ3-SD 4.48Å; F249-M319 HydrophobicContact CE2-CB 4.45Å; F249-M319 HydrophobicContact CE2-CE 4.35Å; S317-M319 PolarHBondContact O-N 3.23Å; S317-M319 PolarHBondContact OG-N 3.32Å; M319-H321 PolarHBondContact O-N 3.02Å; M319-N344 HydrophobicContact CG-CB 4.39Å; M319-N344 HydrophobicContact SD-CB 3.87Å
320	C	97.9	Very high	97.4	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	11%	0.109	C	C	.	.			trans	-76.7	130.6	-173.2	-71	0	0	0	0	111.4	L244 W245 G316 S317 C325 Y328	L244-C320 HydrophobicContact CD2-CB 4.24Å; W245-C320 PolarHBondContact N-O 3.12Å; W245-C320 VanDerWaalsContact N-O 3.08Å; G316-C320 VanDerWaalsContact CA-SG 3.55Å; S317-C320 PolarHBondContact N-SG 3.46Å; S317-C320 VanDerWaalsContact O-CB 3.3Å; S317-C320 WeakPolarHBondContact O-CB 3.31Å; S317-C320 PolarHBondContact O-N 3.3Å; C320-C325 HydrophobicContact CB-CB 4.49Å; C320-C325 WeakPolarHBondContact CB-O 3.07Å; C320-Y328 HydrophobicContact CB-CD1 3.76Å; C320-Y328 HydrophobicContact CB-CE1 4.48Å
321	H	97.7	Very high	97.4	Very high	49 Å²	49	21 Å²	21	23%	0.227	10%	0.103	C	C	.	.			trans	-135.4	149.5	175.8	-170.1	-113.2	0	0	0	110.1	W245 F249 M319 S323 Y324 C325	W245-H321 HydrophobicContact CB-CB 4Å; W245-H321 HydrophobicContact CG-CB 4.33Å; W245-H321 PolarHBondContact O-CD2 3.1Å; F249-H321 HydrophobicContact CB-CB 4.22Å; M319-H321 PolarHBondContact O-N 3.02Å; H321-S323 WeakPolarHBondContact ND1-CB 3.32Å; H321-S323 PolarHBondContact ND1-N 2.96Å; H321-S323 PolarHBondContact ND1-OG 2.88Å; H321-S323 PolarHBondContact O-N 2.73Å; H321-S323 VanDerWaalsContact O-N 3.15Å; H321-Y324 PolarHBondContact O-N 3.3Å; H321-C325 CarbonylContact O-C 3.13Å; H321-C325 PolarHBondContact O-N 2.87Å
322	K	95.5	Very high	97.4	Very high	141 Å²	141	20.5 Å²	20.5	61%	0.613	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.5	-179	-165.6	174.9	179	-178.6	0	113.3	Y324 Y326 Y328	K322-Y324 VanDerWaalsContact C-N 3.28Å; K322-Y324 PolarHBondContact O-N 3.49Å; K322-Y326 HydrophobicContact CG-CD2 4.33Å; K322-Y326 HydrophobicContact CG-CG 4.28Å; K322-Y328 WeakPolarHBondContact CB-OH 3.4Å
323	S	93.5	Very high	97.4	Very high	87 Å²	87	20.7 Å²	20.7	61%	0.608	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.3	-176.2	65.6	0	0	0	0	114.5	H321	H321-S323 WeakPolarHBondContact ND1-CB 3.32Å; H321-S323 PolarHBondContact ND1-N 2.96Å; H321-S323 PolarHBondContact ND1-OG 2.88Å; H321-S323 PolarHBondContact O-N 2.73Å; H321-S323 VanDerWaalsContact O-N 3.15Å
324	Y	88.7	Confident	97.4	Very high	58 Å²	58	20.6 Å²	20.6	23%	0.227	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-47.9	-172	173.4	-102.1	0	0	0	112.8	C39 W163 F249 H321 K322	C39-Y324 WeakPolarHBondContact CA-OH 3.19Å; C39-Y324 HydrophobicContact CB-CE1 3.97Å; C39-Y324 WeakPolarHBondContact CB-OH 3.46Å; C39-Y324 VanDerWaalsContact SG-CE1 3.59Å; W163-Y324 HydrophobicContact CH2-CD2 4.02Å; W163-Y324 HydrophobicContact CH2-CE1 4.25Å; W163-Y324 AromaticContact CH2-CE2 3.55Å; W163-Y324 HydrophobicContact CH2-CE2 3.55Å; W163-Y324 AromaticContact CH2-CZ 3.73Å; W163-Y324 HydrophobicContact CZ2-CD1 4.15Å; W163-Y324 HydrophobicContact CZ2-CD2 4.25Å; W163-Y324 AromaticContact CZ2-CE1 3.52Å; W163-Y324 HydrophobicContact CZ2-CE1 3.52Å; W163-Y324 AromaticContact CZ2-CE2 3.63Å; W163-Y324 HydrophobicContact CZ2-CE2 3.63Å; W163-Y324 AromaticContact CZ2-CZ 3.25Å; W163-Y324 WeakPolarHBondContact CZ2-OH 3.35Å; F249-Y324 HydrophobicContact CD1-CD1 4.14Å; F249-Y324 HydrophobicContact CD1-CG 4.11Å; F249-Y324 AromaticContact CE1-CD1 3.61Å; F249-Y324 HydrophobicContact CE1-CD1 3.61Å; F249-Y324 HydrophobicContact CE1-CE1 4.19Å; F249-Y324 AromaticContact CE1-CG 3.91Å; F249-Y324 HydrophobicContact CE1-CG 3.91Å; F249-Y324 HydrophobicContact CZ-CD1 4.1Å; F249-Y324 HydrophobicContact CZ-CE1 4.48Å; H321-Y324 PolarHBondContact O-N 3.3Å; K322-Y324 VanDerWaalsContact C-N 3.28Å; K322-Y324 PolarHBondContact O-N 3.49Å
325	C	92.6	Very high	97.3	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	11%	0.11	C	C	.	.			trans	-132.3	78.4	-176	-170.3	0	0	0	0	110.1	C320 H321 R327	C320-C325 HydrophobicContact CB-CB 4.49Å; C320-C325 WeakPolarHBondContact CB-O 3.07Å; H321-C325 CarbonylContact O-C 3.13Å; H321-C325 PolarHBondContact O-N 2.87Å; C325-R327 PolarHBondContact O-N 2.84Å
326	Y	97.7	Very high	97.3	Very high	44 Å²	44	22.7 Å²	22.7	17%	0.173	11%	0.111	C	C	.	.			trans	-78.5	49.8	177	-172.3	-149	0	0	0	112.4	Y228 K322 Y328 R329	Y228-Y326 PolarHBondContact OH-OH 3.49Å; K322-Y326 HydrophobicContact CG-CD2 4.33Å; K322-Y326 HydrophobicContact CG-CG 4.28Å; Y326-Y328 HydrophobicContact CD2-CD1 4.33Å; Y326-Y328 HydrophobicContact CD2-CD2 4.49Å; Y326-Y328 AromaticContact CD2-CE1 3.69Å; Y326-Y328 HydrophobicContact CD2-CE1 3.69Å; Y326-Y328 AromaticContact CD2-CE2 3.84Å; Y326-Y328 HydrophobicContact CD2-CE2 3.84Å; Y326-Y328 AromaticContact CD2-CZ 3.41Å; Y326-Y328 VanDerWaalsContact CD2-CZ 3.41Å; Y326-Y328 WeakPolarHBondContact CD2-OH 3.46Å; Y326-Y328 HydrophobicContact CE2-CD2 4.38Å; Y326-Y328 HydrophobicContact CE2-CE1 4.36Å; Y326-Y328 AromaticContact CE2-CE2 3.65Å; Y326-Y328 HydrophobicContact CE2-CE2 3.65Å; Y326-Y328 AromaticContact CE2-CZ 3.66Å; Y326-R329 HydrophobicContact CE2-CG 4.03Å; Y326-R329 VanDerWaalsContact CZ-CD 3.49Å; Y326-R329 PolarHBondContact O-NE 2.81Å; Y326-R329 PolarHBondContact O-NH2 3.06Å
327	R	98.6	Very high	97.3	Very high	9 Å²	9	24.6 Å²	24.6	3%	0.034	12%	0.122	C	C	.	.			trans	-106.4	10.3	-175.2	-62.3	-169.3	178	83.6	-2.7	115.2	I92 D95 W283 G315 G316 C325 R329 A332	I92-R327 HydrophobicContact CD1-CG 3.51Å; D95-R327 VanDerWaalsContact CG-NH2 3.31Å; D95-R327 IonicContact OD1-NH2 3.37Å; D95-R327 PolarHBondContact OD1-NH2 2.74Å; D95-R327 IonicContact OD2-CZ 3.42Å; D95-R327 IonicContact OD2-NE 3.41Å; D95-R327 PolarHBondContact OD2-NE 3.06Å; D95-R327 IonicContact OD2-NH2 2.88Å; D95-R327 PolarHBondContact OD2-NH2 3.37Å; W283-R327 HydrophobicContact CH2-CB 3.5Å; W283-R327 VanDerWaalsContact CH2-CB 3.5Å; W283-R327 VanDerWaalsContact CH2-CD 3.45Å; W283-R327 HydrophobicContact CH2-CG 4.1Å; W283-R327 HydrophobicContact CZ2-CB 3.83Å; W283-R327 HydrophobicContact CZ2-CG 4.45Å; G315-R327 CarbonylContact C-O 3.56Å; G316-R327 PolarHBondContact N-O 3.14Å; C325-R327 PolarHBondContact O-N 2.84Å; R327-R329 PolarHBondContact O-N 2.94Å; R327-A332 HydrophobicContact CB-CB 3.92Å; R327-A332 HydrophobicContact CG-CB 4.24Å; R327-A332 WeakPolarHBondContact O-CB 3.45Å
328	Y	98.4	Very high	97.2	Very high	9 Å²	9	26.2 Å²	26.2	4%	0.035	13%	0.133	C	C	.	.			trans	-82.2	42.8	171.2	52.7	-89.7	0	0	0	112.5	Y228 L234 L244 G315 C320 K322 Y326	Y228-Y328 HydrophobicContact CD1-CD2 4.35Å; Y228-Y328 WeakPolarHBondContact CD1-O 3.49Å; Y228-Y328 AromaticContact CE1-CD2 3.59Å; Y228-Y328 HydrophobicContact CE1-CD2 3.59Å; Y228-Y328 AromaticContact CE1-CE2 3.8Å; Y228-Y328 HydrophobicContact CE1-CE2 3.8Å; Y228-Y328 VanDerWaalsContact CE1-O 3.3Å; Y228-Y328 WeakPolarHBondContact CE1-O 3.24Å; L234-Y328 HydrophobicContact CD1-CD2 3.91Å; L234-Y328 HydrophobicContact CD1-CE2 3.62Å; L234-Y328 HydrophobicContact CD2-CE2 4.07Å; L234-Y328 HydrophobicContact CG-CE2 4.48Å; L244-Y328 HydrophobicContact CD1-CD1 4.19Å; L244-Y328 HydrophobicContact CD1-CD2 3.6Å; L244-Y328 HydrophobicContact CD1-CE2 4.03Å; L244-Y328 HydrophobicContact CD1-CG 3.7Å; L244-Y328 HydrophobicContact CD2-CD1 4.02Å; L244-Y328 HydrophobicContact CD2-CG 3.79Å; L244-Y328 HydrophobicContact CG-CG 4.44Å; G315-Y328 WeakPolarHBondContact O-CA 3.43Å; C320-Y328 HydrophobicContact CB-CD1 3.76Å; C320-Y328 HydrophobicContact CB-CE1 4.48Å; K322-Y328 WeakPolarHBondContact CB-OH 3.4Å; Y326-Y328 HydrophobicContact CD2-CD1 4.33Å; Y326-Y328 HydrophobicContact CD2-CD2 4.49Å; Y326-Y328 AromaticContact CD2-CE1 3.69Å; Y326-Y328 HydrophobicContact CD2-CE1 3.69Å; Y326-Y328 AromaticContact CD2-CE2 3.84Å; Y326-Y328 HydrophobicContact CD2-CE2 3.84Å; Y326-Y328 AromaticContact CD2-CZ 3.41Å; Y326-Y328 VanDerWaalsContact CD2-CZ 3.41Å; Y326-Y328 WeakPolarHBondContact CD2-OH 3.46Å; Y326-Y328 HydrophobicContact CE2-CD2 4.38Å; Y326-Y328 HydrophobicContact CE2-CE1 4.36Å; Y326-Y328 AromaticContact CE2-CE2 3.65Å; Y326-Y328 HydrophobicContact CE2-CE2 3.65Å; Y326-Y328 AromaticContact CE2-CZ 3.66Å
329	R	98.8	Very high	97.2	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.015	15%	0.149	C	C	.	.	S	Bend	trans	-125.7	146.4	178	-68.3	176.1	-73	114	9.2	108.3	E97 L227 Y228 Y326 R327 A331 A332	E97-R329 IonicContact OE1-CZ 2.95Å; E97-R329 IonicContact OE1-NH1 2.74Å; E97-R329 PolarHBondContact OE1-NH1 3.31Å; E97-R329 IonicContact OE1-NH2 3.81Å; E97-R329 PolarHBondContact OE1-NH2 3.03Å; E97-R329 IonicContact OE2-CZ 3.73Å; E97-R329 IonicContact OE2-NH1 2.84Å; E97-R329 PolarHBondContact OE2-NH1 2.76Å; E97-R329 IonicContact OE2-NH2 2.78Å; E97-R329 PolarHBondContact OE2-NH2 2.67Å; L227-R329 HydrophobicContact CB-CG 4.38Å; L227-R329 CarbonylContact O-C 3Å; L227-R329 VanDerWaalsContact O-CA 3.23Å; L227-R329 WeakPolarHBondContact O-CA 3.42Å; L227-R329 WeakPolarHBondContact O-CB 3.35Å; Y228-R329 HydrophobicContact CD1-CG 4.21Å; Y228-R329 HydrophobicContact CE1-CG 3.76Å; Y326-R329 HydrophobicContact CE2-CG 4.03Å; Y326-R329 VanDerWaalsContact CZ-CD 3.49Å; Y326-R329 PolarHBondContact O-NE 2.81Å; Y326-R329 PolarHBondContact O-NH2 3.06Å; R327-R329 PolarHBondContact O-N 2.94Å; R329-A331 VanDerWaalsContact C-N 3.28Å; R329-A331 PolarHBondContact O-N 3.2Å; R329-A332 HydrophobicContact CB-CB 4.09Å; R329-A332 WeakPolarHBondContact O-CB 3.34Å; R329-A332 PolarHBondContact O-N 3.32Å
330	C	98.8	Very high	97.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-39	-178.2	-68.1	0	0	0	0	112.7	E216 C219 R220 L227 K314 A332	E216-C330 HydrophobicContact CG-CB 4.32Å; E216-C330 WeakPolarHBondContact CG-O 3.4Å; C219-C330 HydrophobicContact CB-CB 3.87Å; C219-C330 WeakPolarHBondContact CB-SG 3.15Å; C219-C330 WeakPolarHBondContact SG-CA 3.5Å; C219-C330 WeakPolarHBondContact SG-CB 3.3Å; C219-C330 CovalentContact SG-SG 2.06Å; C219-C330 PolarHBondContact SG-SG 3.45Å; R220-C330 HydrophobicContact CG-CB 3.96Å; L227-C330 PolarHBondContact O-N 3.15Å; K314-C330 PolarHBondContact NZ-O 2.89Å; C330-A332 VanDerWaalsContact C-N 3.29Å; C330-A332 PolarHBondContact O-N 3.44Å
331	A	98.7	Very high	97.2	Very high	8 Å²	8	29.3 Å²	29.3	7%	0.066	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-20	178	0	0	0	0	0	113.6	T87 R329	T87-A331 HydrophobicContact CG2-CB 4.07Å; R329-A331 VanDerWaalsContact C-N 3.28Å; R329-A331 PolarHBondContact O-N 3.2Å
332	A	98.8	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.			trans	-67.8	152.5	179.2	0	0	0	0	0	110.4	E97 K314 R327 R329 C330	E97-A332 WeakPolarHBondContact OE1-CA 3.38Å; K314-A332 WeakPolarHBondContact CD-O 3.27Å; K314-A332 VanDerWaalsContact CE-O 3.31Å; K314-A332 WeakPolarHBondContact CE-O 3.17Å; K314-A332 PolarHBondContact NZ-O 2.92Å; R327-A332 HydrophobicContact CB-CB 3.92Å; R327-A332 HydrophobicContact CG-CB 4.24Å; R327-A332 WeakPolarHBondContact O-CB 3.45Å; R329-A332 HydrophobicContact CB-CB 4.09Å; R329-A332 WeakPolarHBondContact O-CB 3.34Å; R329-A332 PolarHBondContact O-N 3.32Å; C330-A332 VanDerWaalsContact C-N 3.29Å; C330-A332 PolarHBondContact O-N 3.44Å
333	R	98.8	Very high	97.3	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.015	12%	0.116	C	C	.	.			trans	-155.1	153.1	-173.1	57.3	-167.2	-55.8	-101.8	4.8	109.8	D95 E97 E212 W290 T291 H294 K314	D95-R333 HydrophobicContact CB-CG 4.26Å; D95-R333 WeakPolarHBondContact O-CD 3.38Å; D95-R333 WeakPolarHBondContact O-CG 3.2Å; D95-R333 PolarHBondContact O-NH1 2.73Å; E97-R333 HydrophobicContact CG-CG 4.46Å; E212-R333 WeakPolarHBondContact OE1-CD 3.42Å; E212-R333 IonicContact OE1-CZ 3.49Å; E212-R333 IonicContact OE1-NE 2.73Å; E212-R333 PolarHBondContact OE1-NE 3.21Å; E212-R333 IonicContact OE1-NH2 3.54Å; E212-R333 IonicContact OE2-CZ 2.76Å; E212-R333 IonicContact OE2-NE 3.1Å; E212-R333 PolarHBondContact OE2-NE 3.18Å; E212-R333 IonicContact OE2-NH2 3.03Å; E212-R333 PolarHBondContact OE2-NH2 3.29Å; W290-R333 HydrophobicContact CH2-CB 4.39Å; W290-R333 HydrophobicContact CH2-CG 3.79Å; W290-R333 HydrophobicContact CZ3-CB 3.88Å; W290-R333 HydrophobicContact CZ3-CG 3.71Å; T291-R333 VanDerWaalsContact O-CZ 3.32Å; T291-R333 PolarHBondContact O-NH1 2.9Å; T291-R333 PolarHBondContact O-NH2 3.18Å; H294-R333 PolarHBondContact CE1-NH2 3.05Å; H294-R333 PolarHBondContact NE2-NH1 3.42Å; H294-R333 VanDerWaalsContact NE2-NH1 3.14Å; K314-R333 HydrophobicContact CD-CB 3.85Å
334	S	98.6	Very high	97.6	Very high	5 Å²	5	17 Å²	17	4%	0.035	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	-173	173.4	-166.1	0	0	0	0	108.4	W290 V312 K313	W290-S334 WeakPolarHBondContact CZ3-O 3.35Å; V312-S334 WeakPolarHBondContact CA-O 3.48Å; K313-S334 PolarHBondContact N-O 3.15Å; K313-S334 PolarHBondContact O-N 2.82Å
335	Q	98.6	Very high	98	Very high	40 Å²	40	14.3 Å²	14.3	19%	0.187	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	158.4	-173	71.3	-76.1	15.8	0	0	110.7	W290 D310 K311	W290-Q335 HydrophobicContact CB-CB 3.75Å; W290-Q335 HydrophobicContact CB-CG 4.12Å; W290-Q335 HydrophobicContact CD2-CB 3.62Å; W290-Q335 HydrophobicContact CD2-CG 3.72Å; W290-Q335 HydrophobicContact CE3-CB 3.7Å; W290-Q335 HydrophobicContact CE3-CG 4.24Å; W290-Q335 HydrophobicContact CG-CB 3.62Å; W290-Q335 HydrophobicContact CG-CG 3.62Å; W290-Q335 VanDerWaalsContact CZ2-OE1 3.28Å; W290-Q335 HydrophobicContact CZ3-CB 4.47Å; D310-Q335 HydrophobicContact CB-CB 3.77Å; D310-Q335 HydrophobicContact CB-CG 3.67Å; K311-Q335 WeakPolarHBondContact O-CA 3.16Å; K311-Q335 WeakPolarHBondContact O-CB 3.29Å
336	N	98.5	Very high	98.3	Very high	5 Å²	5	14.2 Å²	14.2	3%	0.027	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	163.8	162	-79.3	110.9	0	0	0	108.8	D42 W285 D310 K311 K313	D42-N336 PolarHBondContact OD1-ND2 2.93Å; D42-N336 PolarHBondContact OD2-ND2 3.49Å; W285-N336 HydrophobicContact CH2-CB 3.69Å; W285-N336 HydrophobicContact CZ2-CB 4.5Å; W285-N336 HydrophobicContact CZ3-CB 4.39Å; D310-N336 CarbonylContact C-O 3.57Å; D310-N336 VanDerWaalsContact CA-O 3.31Å; D310-N336 WeakPolarHBondContact CA-O 3.37Å; D310-N336 WeakPolarHBondContact CB-O 3.47Å; K311-N336 PolarHBondContact N-O 3.42Å; K311-N336 PolarHBondContact O-N 3.41Å; K313-N336 WeakPolarHBondContact CE-OD1 3.5Å; K313-N336 PolarHBondContact NZ-OD1 2.96Å
337	T	98.1	Very high	98.4	Very high	39 Å²	39	12.2 Å²	12.2	24%	0.239	7%	0.069	C	C	.	.			trans	-56.5	147.1	168.7	63.6	0	0	0	0	110.1	D310 D339 S340	D310-T337 WeakPolarHBondContact OD1-CG2 3.43Å; T337-D339 WeakPolarHBondContact CB-OD1 3.41Å; T337-D339 PolarHBondContact O-N 3.06Å; T337-D339 VanDerWaalsContact O-N 3.12Å; T337-D339 PolarHBondContact OG1-OD1 2.89Å; T337-S340 VanDerWaalsContact O-CB 3.28Å; T337-S340 WeakPolarHBondContact O-CB 3.49Å; T337-S340 PolarHBondContact O-N 2.84Å; T337-S340 PolarHBondContact OG1-OG 3.15Å
338	P	97.6	Very high	98.4	Very high	35 Å²	35	11.8 Å²	11.8	23%	0.227	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.7	-174.2	24.5	-34.9	0	0	0	114.1	S194 W195 W289 K309 K311	S194-P338 WeakPolarHBondContact CB-O 3.49Å; W195-P338 HydrophobicContact CB-CB 3.99Å; W195-P338 VanDerWaalsContact CB-O 3.31Å; W195-P338 WeakPolarHBondContact CB-O 3.35Å; W195-P338 HydrophobicContact CE3-CB 4.28Å; W195-P338 HydrophobicContact CG-CB 4.44Å; W195-P338 PolarHBondContact N-O 2.88Å; W289-P338 HydrophobicContact CH2-CG 4.32Å; W289-P338 HydrophobicContact CZ3-CG 4.39Å; K309-P338 VanDerWaalsContact O-CD 3.26Å; K309-P338 WeakPolarHBondContact O-CD 3.43Å; K311-P338 HydrophobicContact CG-CB 4.04Å
339	D	96.7	Very high	98.4	Very high	65 Å²	65	11.3 Å²	11.3	35%	0.348	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.6	177.5	64.5	-19	0	0	0	114	E132 F136 T337	E132-D339 WeakPolarHBondContact OE2-CA 3.47Å; F136-D339 HydrophobicContact CE2-CB 4.16Å; F136-D339 HydrophobicContact CZ-CB 4.34Å; T337-D339 WeakPolarHBondContact CB-OD1 3.41Å; T337-D339 PolarHBondContact O-N 3.06Å; T337-D339 VanDerWaalsContact O-N 3.12Å; T337-D339 PolarHBondContact OG1-OD1 2.89Å
340	S	97.5	Very high	98.4	Very high	12 Å²	12	11.1 Å²	11.1	8%	0.084	7%	0.065	C	C	.	.			trans	-74.3	144.3	177.2	-76.6	0	0	0	0	112.2	S194 T337	S194-S340 WeakPolarHBondContact CA-O 3.47Å; T337-S340 VanDerWaalsContact O-CB 3.28Å; T337-S340 WeakPolarHBondContact O-CB 3.49Å; T337-S340 PolarHBondContact O-N 2.84Å; T337-S340 PolarHBondContact OG1-OG 3.15Å
341	S	98.3	Very high	98.3	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.007	7%	0.067	C	C	.	.			trans	-141.6	143.1	176.3	61.8	0	0	0	0	110.6	S139 F140	S139-S341 VanDerWaalsContact OG-C 3.26Å; S139-S341 WeakPolarHBondContact OG-CB 3.09Å; S139-S341 PolarHBondContact OG-O 3.2Å; S139-S341 PolarHBondContact OG-OG 3.3Å; F140-S341 PolarHBondContact N-O 3.37Å
342	A	98.3	Very high	97.9	Very high	7 Å²	7	16.3 Å²	16.3	6%	0.058	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-150.3	160.7	-178.1	0	0	0	0	0	112.7	F140 W164 H192 N344 L345	F140-A342 HydrophobicContact CB-CB 4.25Å; F140-A342 CarbonylContact O-C 3.51Å; F140-A342 WeakPolarHBondContact O-CA 3.16Å; W164-A342 HydrophobicContact CH2-CB 4.07Å; W164-A342 HydrophobicContact CZ3-CB 4.13Å; H192-A342 PolarHBondContact N-O 3.12Å; A342-N344 PolarHBondContact O-N 2.94Å; A342-N344 VanDerWaalsContact O-N 3.08Å; A342-L345 HydrophobicContact CB-CB 4.32Å; A342-L345 PolarHBondContact O-N 3.12Å
343	S	98.2	Very high	97.3	Very high	5 Å²	5	23.2 Å²	23.2	4%	0.035	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-2.3	-178.6	68.9	0	0	0	0	114.7	F140 F142 W164 H192 Y318	F140-S343 PolarHBondContact O-N 2.8Å; F142-S343 PolarHBondContact N-OG 2.76Å; W164-S343 WeakPolarHBondContact CZ3-OG 3.35Å; H192-S343 WeakPolarHBondContact CE1-CA 3.4Å; H192-S343 PolarHBondContact CE1-N 3.35Å; H192-S343 WeakPolarHBondContact NE2-CA 3.34Å; Y318-S343 PolarHBondContact OH-OG 3.08Å
344	N	98.6	Very high	96.4	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.032	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	20.8	-179.3	75.9	-25.8	0	0	0	113	W164 W283 S317 Y318 M319 A342	W164-N344 HydrophobicContact CH2-CB 4.2Å; W164-N344 VanDerWaalsContact CH2-OD1 3.31Å; W164-N344 WeakPolarHBondContact CH2-OD1 3.48Å; W164-N344 WeakPolarHBondContact CZ2-OD1 3.47Å; W283-N344 WeakPolarHBondContact CB-O 3.23Å; W283-N344 PolarHBondContact N-O 2.82Å; S317-N344 PolarHBondContact OG-ND2 2.95Å; Y318-N344 HydrophobicContact CD1-CB 4.25Å; Y318-N344 HydrophobicContact CE1-CB 3.63Å; M319-N344 HydrophobicContact CG-CB 4.39Å; M319-N344 HydrophobicContact SD-CB 3.87Å; A342-N344 PolarHBondContact O-N 2.94Å; A342-N344 VanDerWaalsContact O-N 3.08Å
345	L	98.9	Very high	94.6	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	119.9	-174.7	175.9	60.5	0	0	0	111	V191 W283 W285 K313 A342	V191-L345 WeakPolarHBondContact CA-O 3.22Å; W283-L345 HydrophobicContact CB-CB 4.3Å; W283-L345 HydrophobicContact CB-CD1 3.44Å; W283-L345 VanDerWaalsContact CB-CD1 3.44Å; W283-L345 HydrophobicContact CB-CG 4.46Å; W285-L345 HydrophobicContact CD2-CD1 4.18Å; W285-L345 HydrophobicContact CG-CD1 4.3Å; W285-L345 HydrophobicContact CH2-CD2 4.28Å; W285-L345 HydrophobicContact CZ2-CD2 3.49Å; W285-L345 VanDerWaalsContact CZ2-CD2 3.49Å; W285-L345 HydrophobicContact CZ2-CG 4.38Å; K313-L345 HydrophobicContact CB-CD1 4.35Å; K313-L345 HydrophobicContact CD-CD1 4.05Å; A342-L345 HydrophobicContact CB-CB 4.32Å; A342-L345 PolarHBondContact O-N 3.12Å
346	G	98.9	Very high	94.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	-147.5	175.6	0	0	0	0	0	111.2	V190 W283 E284 W285	V190-G346 WeakPolarHBondContact O-CA 3.37Å; W283-G346 CarbonylContact O-C 3.52Å; W283-G346 PolarHBondContact O-N 2.92Å; W283-G346 VanDerWaalsContact O-O 3.13Å; E284-G346 WeakPolarHBondContact CA-O 3.36Å; W285-G346 PolarHBondContact N-O 3.5Å; W285-G346 VanDerWaalsContact N-O 3.11Å
347	F	98.9	Very high	94.2	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	19%	0.185	C	C	.	.			trans	-168.2	168.9	-178.4	66.4	-74.8	0	0	0	112.3	V115 F120 V190 V193 A198 F201 L209 W285	V115-F347 HydrophobicContact CB-CE1 4.28Å; V115-F347 HydrophobicContact CB-CE2 4.18Å; V115-F347 HydrophobicContact CB-CZ 3.98Å; V115-F347 HydrophobicContact CG1-CZ 4.06Å; V115-F347 HydrophobicContact CG2-CD2 3.97Å; V115-F347 HydrophobicContact CG2-CE2 3.55Å; V115-F347 HydrophobicContact CG2-CZ 3.85Å; V115-F347 PolarHBondContact N-O 3.15Å; F120-F347 HydrophobicContact CD2-CE1 4.41Å; F120-F347 HydrophobicContact CD2-CZ 4.34Å; F120-F347 HydrophobicContact CE2-CE1 4.42Å; F120-F347 HydrophobicContact CE2-CZ 4.45Å; V190-F347 HydrophobicContact CG1-CD1 4.45Å; V190-F347 HydrophobicContact CG1-CE1 3.88Å; V193-F347 HydrophobicContact CB-CE1 4.36Å; V193-F347 HydrophobicContact CG2-CD1 3.72Å; V193-F347 HydrophobicContact CG2-CE1 3.88Å; A198-F347 HydrophobicContact CB-CB 4.04Å; A198-F347 HydrophobicContact CB-CD1 3.57Å; A198-F347 HydrophobicContact CB-CD2 3.71Å; A198-F347 HydrophobicContact CB-CE1 3.9Å; A198-F347 HydrophobicContact CB-CE2 4Å; A198-F347 HydrophobicContact CB-CG 3.49Å; A198-F347 VanDerWaalsContact CB-CG 3.49Å; A198-F347 HydrophobicContact CB-CZ 4.11Å; F201-F347 HydrophobicContact CB-CE2 4.08Å; F201-F347 HydrophobicContact CB-CZ 3.66Å; F201-F347 AromaticContact CD1-CE2 3.56Å; F201-F347 HydrophobicContact CD1-CE2 3.56Å; F201-F347 AromaticContact CD1-CZ 3.63Å; F201-F347 HydrophobicContact CD1-CZ 3.63Å; F201-F347 HydrophobicContact CD2-CZ 4.5Å; F201-F347 HydrophobicContact CE1-CE2 4.35Å; F201-F347 HydrophobicContact CE1-CZ 4.45Å; F201-F347 HydrophobicContact CG-CE2 4.04Å; F201-F347 AromaticContact CG-CZ 3.67Å; F201-F347 HydrophobicContact CG-CZ 3.67Å; L209-F347 HydrophobicContact CD2-CB 3.99Å; L209-F347 HydrophobicContact CD2-CD2 3.93Å; L209-F347 HydrophobicContact CD2-CG 4.33Å; W285-F347 HydrophobicContact CB-CB 4.12Å
348	R	98.7	Very high	94	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.182	C	C	.	.			trans	-132.8	160.5	164.5	75	179.3	64.7	-143.6	3.3	110.2	D111 V112 L113 P210 H276 D277 M278 E284	D111-R348 HydrophobicContact CB-CB 4.22Å; D111-R348 PolarHBondContact O-NH1 3.23Å; V112-R348 PolarHBondContact O-NH1 3.45Å; L113-R348 WeakPolarHBondContact O-CB 3.24Å; P210-R348 WeakPolarHBondContact CD-O 3.3Å; H276-R348 PolarHBondContact O-NH1 3.01Å; H276-R348 PolarHBondContact O-NH2 3.14Å; D277-R348 PolarHBondContact O-NH2 3.18Å; M278-R348 PolarHBondContact SD-NH1 3.15Å; M278-R348 VanDerWaalsContact SD-NH1 3.39Å; E284-R348 IonicContact OE1-CZ 2.91Å; E284-R348 VanDerWaalsContact OE1-CZ 3.27Å; E284-R348 IonicContact OE1-NE 3.88Å; E284-R348 PolarHBondContact OE1-NE 3.08Å; E284-R348 IonicContact OE1-NH2 3.72Å; E284-R348 PolarHBondContact OE1-NH2 3.28Å; E284-R348 WeakPolarHBondContact OE2-CD 3.47Å; E284-R348 VanDerWaalsContact OE2-CG 3.26Å; E284-R348 WeakPolarHBondContact OE2-CG 3.49Å; E284-R348 IonicContact OE2-CZ 3.4Å; E284-R348 IonicContact OE2-NE 3.2Å; E284-R348 PolarHBondContact OE2-NE 3.32Å; E284-R348 IonicContact OE2-NH2 2.74Å
349	C	98.5	Very high	93.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.			trans	-107.4	164.9	-179.7	-52.6	0	0	0	0	113	D111 C202 K207 R208	D111-C349 WeakPolarHBondContact CB-O 3.48Å; D111-C349 PolarHBondContact N-O 3.05Å; D111-C349 WeakPolarHBondContact OD2-CA 3.41Å; D111-C349 WeakPolarHBondContact OD2-CB 3.18Å; D111-C349 PolarHBondContact OD2-N 3.36Å; C202-C349 VanDerWaalsContact CA-SG 3.57Å; C202-C349 HydrophobicContact CB-CB 4.05Å; C202-C349 WeakPolarHBondContact CB-SG 3.16Å; C202-C349 WeakPolarHBondContact SG-CB 3.44Å; C202-C349 CovalentContact SG-SG 2.07Å; C202-C349 PolarHBondContact SG-SG 3.18Å; K207-C349 HydrophobicContact CB-CB 3.74Å; K207-C349 HydrophobicContact CD-CB 3.56Å; K207-C349 HydrophobicContact CG-CB 4.29Å; R208-C349 CarbonylContact O-C 3.58Å; R208-C349 WeakPolarHBondContact O-CA 3.45Å; R208-C349 WeakPolarHBondContact O-CB 3.37Å
350	V	98.5	Very high	93.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	161.2	169.8	-60.5	0	0	0	0	111.3	F108 Y109 M110 K207 R208 P210	F108-V350 HydrophobicContact CD2-CB 3.99Å; F108-V350 HydrophobicContact CD2-CG1 3.83Å; F108-V350 HydrophobicContact CE2-CB 4.37Å; F108-V350 HydrophobicContact CE2-CG1 3.71Å; Y109-V350 CarbonylContact O-C 3.55Å; Y109-V350 WeakPolarHBondContact O-CA 3.34Å; Y109-V350 WeakPolarHBondContact O-CB 3.39Å; M110-V350 HydrophobicContact CB-CG1 4.04Å; M110-V350 HydrophobicContact CE-CG1 3.61Å; M110-V350 HydrophobicContact CG-CG1 3.94Å; K207-V350 WeakPolarHBondContact CB-O 3.26Å; R208-V350 HydrophobicContact CG-CG2 3.7Å; R208-V350 VanDerWaalsContact CZ-CG2 3.43Å; R208-V350 PolarHBondContact N-O 2.8Å; R208-V350 PolarHBondContact O-N 2.74Å; P210-V350 HydrophobicContact CB-CG1 3.7Å; P210-V350 HydrophobicContact CB-CG2 4.26Å; P210-V350 HydrophobicContact CG-CG1 4.4Å
351	S	96.8	Very high	93.3	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.035	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	157.7	174.6	66.6	0	0	0	0	111	M75 Y109 E353	M75-S351 PolarHBondContact SD-OG 3.48Å; M75-S351 VanDerWaalsContact SD-OG 3.34Å; Y109-S351 WeakPolarHBondContact CB-OG 3.34Å; Y109-S351 PolarHBondContact N-O 2.87Å; Y109-S351 PolarHBondContact O-N 3.44Å; S351-E353 WeakPolarHBondContact CB-O 3.26Å; S351-E353 PolarHBondContact OG-O 3.26Å
352	Q	91.2	Very high	93	Very high	112 Å²	112	39.9 Å²	39.9	52%	0.523	19%	0.186	S	C	.	.	S	Bend	trans	-83	-32	171.9	-63.8	-60	-10.4	0	0	111.9
353	E	85.1	Confident	92.6	Very high	145 Å²	145	42.4 Å²	42.4	68%	0.678	20%	0.196	S	C	*	.	S	Bend	trans	-107.7	148.1	-179.1	-62.4	-179.8	-179.4	0	0	110.6	S351 Q355	S351-E353 WeakPolarHBondContact CB-O 3.26Å; S351-E353 PolarHBondContact OG-O 3.26Å; E353-Q355 PolarHBondContact O-N 3.44Å; E353-Q355 PolarHBondContact O-NE2 3.2Å; E353-Q355 VanDerWaalsContact O-NE2 3.11Å
354	K	79.9	Confident	92.1	Very high	162 Å²	162	45.5 Å²	45.5	70%	0.704	21%	0.21	S	C	*	.			trans	-61.6	120.9	172.1	-168.4	178.4	178.6	-176.8	0	108.8	Y109	Y109-K354 HydrophobicContact CE1-CB 3.92Å; Y109-K354 HydrophobicContact CE1-CD 4.42Å; Y109-K354 HydrophobicContact CE1-CG 3.91Å; Y109-K354 HydrophobicContact CE2-CB 3.99Å
355	Q	61.5	Low	91.5	Very high	114 Å²	114	49.1 Å²	49.1	53%	0.533	23%	0.226	S	C	.	.			trans	-81.6	0	175.8	-59.1	-57.3	-61.5	0	0	111.8	M75 N206 K207 E353	M75-Q355 HydrophobicContact SD-CB 4.3Å; M75-Q355 HydrophobicContact SD-CG 3.81Å; N206-Q355 PolarHBondContact ND2-OE1 3.31Å; K207-Q355 HydrophobicContact CG-CG 4.34Å; E353-Q355 PolarHBondContact O-N 3.44Å; E353-Q355 PolarHBondContact O-NE2 3.2Å; E353-Q355 VanDerWaalsContact O-NE2 3.11Å

Retrieved 355 of 355 residues in 344.9 ms (Link to these results)

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