A0A087Y4D9_POEFO Loading...

isopentenyl-diphosphate Delta-isomerase

Catalyzes the 1,3-allylic rearrangement of the homoallylic substrate isopentenyl (IPP) to its highly electrophilic allylic isomer, dimethylallyl diphosphate (DMAPP).

AlphaFold DB , UniProt , Accession A0A087Y4D9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 286 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40	Very low	33.4	Very low	245 Å²	245	151 Å²	151	100%	1.207	84%	0.843	S	S	*	*				0	115.3	0	-76.6	-162.5	-77.7	0	0	107.7
2	A	32.2	Very low	33.4	Very low	95 Å²	95	152.1 Å²	152.1	79%	0.785	84%	0.844	S	S	*	*			trans	-75.2	171.6	178.6	0	0	0	0	0	111.6
3	P	41.8	Very low	33.1	Very low	126 Å²	126	147.8 Å²	147.8	82%	0.818	83%	0.831	S	S	*	*				-128.7	134.6	122.7	32.5	-21.3	0	0	0	112.4
4	A	32.2	Very low	32.9	Very low	87 Å²	87	151.9 Å²	151.9	72%	0.719	83%	0.827	S	S	*	*			trans	-72.8	142.3	175.7	0	0	0	0	0	111.2
5	V	35.9	Very low	32.7	Very low	142 Å²	142	153.5 Å²	153.5	86%	0.861	83%	0.827	S	S	*	*			trans	-113.1	118.2	168.8	-172.9	0	0	0	0	107.8
6	W	30	Very low	32.6	Very low	236 Å²	236	148.9 Å²	148.9	89%	0.894	83%	0.827	S	S	*	*			trans	-78.3	131.5	171.7	-83.8	61.2	0	0	0	109.6
7	A	33.1	Very low	32.5	Very low	98 Å²	98	148.2 Å²	148.2	81%	0.81	83%	0.827	S	S	*	*			trans	-132.9	137.2	164.7	0	0	0	0	0	110.5
8	V	33	Very low	32.4	Very low	126 Å²	126	145.4 Å²	145.4	76%	0.764	83%	0.826	S	S	*	*			trans	-90.3	133.6	-154.9	166.6	0	0	0	0	111.5	R10	V8-R10 PolarHBondContact O-N 3.33Å
9	L	27.9	Very low	32.3	Very low	156 Å²	156	143.9 Å²	143.9	82%	0.817	82%	0.82	S	S	*	*			trans	-56.8	127.8	164.3	-92.2	97.2	0	0	0	110.7
10	R	32.2	Very low	32.2	Very low	230 Å²	230	145.4 Å²	145.4	87%	0.868	82%	0.824	S	S	*	*			trans	-112.7	108.2	158.1	-82.3	-171.1	-178.9	-142.5	1.2	109.8	V8	V8-R10 PolarHBondContact O-N 3.33Å
11	V	29.7	Very low	32.1	Very low	120 Å²	120	147.3 Å²	147.3	73%	0.727	82%	0.823	S	S	*	*			trans	-79.2	124.3	161.6	172.7	0	0	0	0	107.4
12	L	32.6	Very low	31.6	Very low	164 Å²	164	140.6 Å²	140.6	86%	0.859	80%	0.801	S	S	*	*			trans	-113.7	121.7	162.8	-73.6	175	0	0	0	108.6
13	S	29.3	Very low	31.6	Very low	97 Å²	97	144 Å²	144	68%	0.678	81%	0.805	S	S	*	*			trans	-112.2	162.1	176.2	167.5	0	0	0	0	108.9
14	R	31.3	Very low	31.3	Very low	204 Å²	204	144 Å²	144	77%	0.77	80%	0.803	S	S	*	*			trans	102.8	104.4	167.4	-64.3	-168.4	172.3	-158.9	-4.7	114.9
15	E	29.8	Very low	31.3	Very low	177 Å²	177	145.8 Å²	145.8	83%	0.827	81%	0.807	S	S	*	*				85.3	124.9	80	-82.4	175.8	170.8	0	0	111.3
16	G	30.5	Very low	31.1	Very low	80 Å²	80	143 Å²	143	83%	0.825	80%	0.8	S	S	*	*			trans	169.4	71.9	173.6	0	0	0	0	0	113.2
17	V	30.5	Very low	31.2	Very low	136 Å²	136	143.7 Å²	143.7	82%	0.824	80%	0.802	S	S	*	*			trans	-74.6	130	167.5	171.4	0	0	0	0	109.1	V19	V17-V19 HydrophobicContact CG1-CG2 4.22Å
18	A	31.3	Very low	31	Very low	98 Å²	98	143.4 Å²	143.4	81%	0.81	79%	0.794	S	S	*	*			trans	-140.2	103.3	160.7	0	0	0	0	0	110.3
19	V	30.4	Very low	31	Very low	117 Å²	117	142.9 Å²	142.9	71%	0.709	80%	0.796	S	S	*	*			trans	-78.9	127	168.8	169.8	0	0	0	0	108.4	V17	V17-V19 HydrophobicContact CG1-CG2 4.22Å
20	L	30.2	Very low	31.2	Very low	173 Å²	173	146.7 Å²	146.7	91%	0.906	80%	0.799	S	S	*	*			trans	-129.5	134.6	162.6	-88.6	166.4	0	0	0	111
21	K	30.3	Very low	31.2	Very low	186 Å²	186	142 Å²	142	81%	0.809	80%	0.796	S	S	*	*			trans	-81.1	156.8	-161.6	-68.8	173.5	175.5	175.9	0	113.1
22	S	29.5	Very low	31.6	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	80%	0.799	S	S	*	*			trans	-58.4	146.3	167.6	47.5	0	0	0	0	113.6
23	N	31.3	Very low	31.8	Very low	165 Å²	165	140.3 Å²	140.3	88%	0.882	79%	0.794	S	S	*	*			trans	-134.7	102.3	159.4	-90.4	-22.6	0	0	0	109.2
24	V	35.4	Very low	31.8	Very low	127 Å²	127	139.1 Å²	139.1	77%	0.77	80%	0.797	S	S	*	*			trans	-96.5	136	163.9	172.5	0	0	0	0	107.7
25	P	34.1	Very low	31.8	Very low	124 Å²	124	141.7 Å²	141.7	81%	0.805	81%	0.807	S	S	*	*			trans	-104.7	121	152.7	2.9	17.5	0	0	0	110.3
26	A	30.3	Very low	31.8	Very low	85 Å²	85	142.5 Å²	142.5	70%	0.702	81%	0.811	S	S	*	*			trans	-73.8	147.6	165.6	0	0	0	0	0	111.6
27	R	31.6	Very low	31.9	Very low	250 Å²	250	150 Å²	150	94%	0.943	82%	0.815	S	S	*	*			trans	161	145.2	148.5	-95.6	169.3	-178.7	-147.9	1.4	108.2
28	S	31	Very low	32.1	Very low	92 Å²	92	149.7 Å²	149.7	64%	0.643	82%	0.815	S	S	*	*			cis	-160.1	136.7	-4.3	71.3	0	0	0	0	105.9
29	S	31.3	Very low	32.1	Very low	114 Å²	114	149.8 Å²	149.8	80%	0.797	81%	0.81	S	S	*	*			trans	-70.4	130	170.4	41.9	0	0	0	0	110.4
30	R	32.6	Very low	32.3	Very low	236 Å²	236	151 Å²	151	89%	0.891	82%	0.818	S	S	*	*			trans	-110.9	120.4	161.7	-80.7	-172.7	-176.2	-173.9	1.8	108.8
31	V	33.3	Very low	32.5	Very low	131 Å²	131	148.5 Å²	148.5	79%	0.794	81%	0.81	S	S	*	*			trans	-102.6	129.8	171.8	171.9	0	0	0	0	107.6
32	V	36.6	Very low	32.6	Very low	133 Å²	133	145.8 Å²	145.8	81%	0.806	81%	0.814	S	S	*	*			trans	-158.2	160.3	153	-121.9	0	0	0	0	109.3
33	P	38.4	Very low	32.6	Very low	116 Å²	116	144.3 Å²	144.3	75%	0.753	82%	0.815	S	S	*	*				-118.6	174.7	-109.4	32.5	-12.3	0	0	0	114
34	G	28.9	Very low	32.6	Very low	72 Å²	72	141.7 Å²	141.7	74%	0.742	81%	0.809	S	S	*	*			trans	-77.8	172.8	-166.5	0	0	0	0	0	117.3
35	W	29.7	Very low	32.5	Very low	258 Å²	258	146.6 Å²	146.6	98%	0.977	81%	0.813	S	S	*	*			trans	-129.3	131.7	168.9	-95.4	50.5	0	0	0	109.7
36	Q	30.3	Very low	32.8	Very low	195 Å²	195	152.4 Å²	152.4	91%	0.911	82%	0.819	S	S	*	*			trans	-83	158.5	-179.8	-74.7	176.7	-25.4	0	0	112.2
37	R	33.4	Very low	33.2	Very low	237 Å²	237	156.2 Å²	156.2	89%	0.894	83%	0.826	S	S	*	*			trans	-63.8	173.1	178.1	-61.7	177.1	173	-154.8	-3.2	113.5
38	P	34.7	Very low	33.5	Very low	129 Å²	129	149.2 Å²	149.2	84%	0.838	82%	0.816	S	S	*	*				-120.9	142.1	123.8	13	5.7	0	0	0	113
39	S	30.8	Very low	33.8	Very low	100 Å²	100	150.4 Å²	150.4	70%	0.699	82%	0.824	S	S	*	*			trans	-80.7	142.4	168.6	49.1	0	0	0	0	111.6
40	V	35.7	Very low	34.4	Very low	144 Å²	144	153.9 Å²	153.9	87%	0.873	83%	0.827	S	S	*	*			trans	-125.9	131.6	153.9	-179.8	0	0	0	0	108.1
41	T	33.2	Very low	34.8	Very low	120 Å²	120	149 Å²	149	74%	0.736	82%	0.823	S	S	*	*			trans	-95.1	172.2	-176.8	39.8	0	0	0	0	111.7
42	S	33	Very low	35.2	Very low	128 Å²	128	154.4 Å²	154.4	90%	0.895	83%	0.83	S	S	*	*			trans	92.9	130.8	173.9	83.4	0	0	0	0	113.9
43	G	30	Very low	35.3	Very low	74 Å²	74	159.1 Å²	159.1	76%	0.763	83%	0.833	S	S	*	*			cis	160.5	147.6	1.8	0	0	0	0	0	109.2
44	C	29.8	Very low	35.3	Very low	111 Å²	111	157.8 Å²	157.8	75%	0.75	83%	0.832	S	S	*	*			trans	85.8	116.4	162.5	-99.6	0	0	0	0	121.9
45	R	33.1	Very low	35.9	Very low	230 Å²	230	163.5 Å²	163.5	87%	0.868	84%	0.839	S	S	*	*			trans	87.6	105.1	132.2	-71.8	175.4	-160.1	-141.2	4.8	119.7
46	R	41	Very low	36.2	Very low	245 Å²	245	155.2 Å²	155.2	93%	0.925	83%	0.825	S	S	*	*			trans	-43.3	133.3	149.7	-71.9	175.3	170.6	179.7	-4.2	112.1
47	I	38.7	Very low	36.9	Very low	165 Å²	165	150.3 Å²	150.3	85%	0.846	82%	0.818	S	S	*	*			trans	-140.2	131.7	137.1	-44.7	178.4	0	0	0	107.2
48	S	38.6	Very low	37.3	Very low	104 Å²	104	144.4 Å²	144.4	73%	0.727	81%	0.808	S	S	*	*			trans	-64.9	148.1	176.6	53.8	0	0	0	0	113
49	S	36.4	Very low	37.8	Very low	116 Å²	116	148.1 Å²	148.1	81%	0.811	81%	0.806	S	S	*	*				175.3	130.1	116.9	55.1	0	0	0	0	110.2
50	E	45.3	Very low	38.7	Very low	187 Å²	187	145.7 Å²	145.7	87%	0.874	78%	0.784	S	S	*	*			trans	-61	130.4	-179	-61.1	159.4	134	0	0	112.3
51	V	40	Very low	39.4	Very low	133 Å²	133	142.9 Å²	142.9	81%	0.806	77%	0.768	S	S	*	*			trans	-140.5	68.3	142.2	-169.8	0	0	0	0	107.4	R53	V51-R53 PolarHBondContact O-N 3.29Å
52	R	41	Very low	40.6	Very low	246 Å²	246	144 Å²	144	93%	0.928	77%	0.766	S	S	*	*			trans	-78	97.6	155.2	-79.6	-174.8	177.4	-160.4	-0.9	105.7	A54	R52-A54 PolarHBondContact O-N 3.28Å
53	R	38.6	Very low	42.3	Very low	231 Å²	231	139.8 Å²	139.8	87%	0.872	73%	0.733	S	S	*	*			trans	-58.8	99	159	-101.8	-179	173.4	177.2	-2.3	106.1	V51 Q55	V51-R53 PolarHBondContact O-N 3.29Å; R53-Q55 PolarHBondContact O-N 2.79Å
54	A	39.2	Very low	44.4	Very low	89 Å²	89	140.6 Å²	140.6	74%	0.736	72%	0.723	S	S	*	*			trans	-56.6	110.6	158.5	0	0	0	0	0	105.5	R52 A56	R52-A54 PolarHBondContact O-N 3.28Å; A54-A56 PolarHBondContact O-N 3Å
55	Q	40.6	Very low	46.7	Very low	192 Å²	192	136.7 Å²	136.7	90%	0.897	70%	0.696	S	S	*	*			trans	-58.6	100.9	155.4	-78.4	173.1	-34.7	0	0	104.2	R53 A57	R53-Q55 PolarHBondContact O-N 2.79Å; Q55-A57 PolarHBondContact O-N 3.23Å
56	A	37.7	Very low	48.7	Very low	83 Å²	83	132.8 Å²	132.8	69%	0.686	69%	0.692	S	S	*	*			trans	-55.7	111.6	166.4	0	0	0	0	0	105	A54 V58	A54-A56 PolarHBondContact O-N 3Å; A56-V58 PolarHBondContact O-N 2.92Å
57	A	44.6	Very low	50.6	Low	92 Å²	92	127.9 Å²	127.9	76%	0.76	68%	0.679	S	S	*	*			trans	-48.6	113.2	161.5	0	0	0	0	0	105.2	Q55 R59	Q55-A57 PolarHBondContact O-N 3.23Å; A57-R59 VanDerWaalsContact C-N 3.3Å; A57-R59 PolarHBondContact O-N 3.1Å
58	V	42.3	Very low	52.8	Low	113 Å²	113	121.7 Å²	121.7	69%	0.685	65%	0.647	S	S	*	*			trans	-58	104	176.9	174.8	0	0	0	0	104.7	A56 M60	A56-V58 PolarHBondContact O-N 2.92Å; V58-M60 HydrophobicContact CG1-SD 4.28Å; V58-M60 PolarHBondContact O-N 3.1Å
59	R	44.7	Very low	55.4	Low	207 Å²	207	119.5 Å²	119.5	78%	0.781	63%	0.628	S	S	*	*			trans	-70.5	96	177.6	-153.6	172.9	-172.4	-112	-12.3	104.6	A57 E62	A57-R59 VanDerWaalsContact C-N 3.3Å; A57-R59 PolarHBondContact O-N 3.1Å; R59-E62 IonicContact CZ-OE1 3.6Å; R59-E62 IonicContact NH1-OE1 3.54Å; R59-E62 PolarHBondContact NH1-OE1 2.84Å; R59-E62 IonicContact NH2-OE1 2.78Å; R59-E62 PolarHBondContact NH2-OE1 2.99Å
60	M	48.3	Very low	58	Low	50 Å²	50	121.4 Å²	121.4	25%	0.246	62%	0.624	C	S	.	*			trans	-54.8	145.4	177.5	-71.2	-64.2	-66	0	0	108.9	V58 E62 L100 S102 N103	V58-M60 HydrophobicContact CG1-SD 4.28Å; V58-M60 PolarHBondContact O-N 3.1Å; M60-E62 PolarHBondContact O-N 3.48Å; M60-L100 HydrophobicContact CE-CD1 4.36Å; M60-S102 WeakPolarHBondContact CE-OG 3.45Å; M60-N103 WeakPolarHBondContact CE-OD1 3.46Å
61	P	50.3	Low	60.2	Low	84 Å²	84	116.6 Å²	116.6	55%	0.545	60%	0.6	S	S	.	*			trans	-52.1	128.7	178.6	19.9	-30.7	0	0	0	109.6	I63	P61-I63 PolarHBondContact O-N 3.29Å
62	E	59.1	Low	62.7	Low	145 Å²	145	110.5 Å²	110.5	68%	0.678	56%	0.563	S	S	*	*			trans	-67.1	87.8	173.3	-80.3	174.2	-174.5	0	0	107.7	R59 M60 T64	R59-E62 IonicContact CZ-OE1 3.6Å; R59-E62 IonicContact NH1-OE1 3.54Å; R59-E62 PolarHBondContact NH1-OE1 2.84Å; R59-E62 IonicContact NH2-OE1 2.78Å; R59-E62 PolarHBondContact NH2-OE1 2.99Å; M60-E62 PolarHBondContact O-N 3.48Å; E62-T64 PolarHBondContact O-N 3.3Å
63	I	69.6	Low	65.1	Low	39 Å²	39	100.7 Å²	100.7	20%	0.2	53%	0.53	C	S	.	.			trans	-74.7	114.6	170.8	-64.9	162.8	0	0	0	106.7	P61 L100 V202	P61-I63 PolarHBondContact O-N 3.29Å; I63-L100 HydrophobicContact CD1-CD1 3.94Å; I63-L100 HydrophobicContact CD1-CD2 3.23Å; I63-L100 HydrophobicContact CD1-CG 4.21Å; I63-V202 HydrophobicContact CD1-CG1 3.62Å; I63-V202 HydrophobicContact CG1-CG1 4.37Å; I63-V202 HydrophobicContact CG2-CG1 4.24Å
64	T	73	Confident	67.6	Low	90 Å²	90	96.5 Å²	96.5	55%	0.552	52%	0.52	S	S	*	.			trans	-68.3	127.1	175.7	49.3	0	0	0	0	109.3	E62 H67	E62-T64 PolarHBondContact O-N 3.3Å; T64-H67 PolarHBondContact O-CE1 2.87Å; T64-H67 PolarHBondContact O-ND1 3.32Å
65	T	77.6	Confident	70.2	Confident	30 Å²	30	93.6 Å²	93.6	18%	0.184	49%	0.492	C	S	.	.			trans	-102.5	7.9	178.5	53.4	0	0	0	0	112.1	H67 L68 L76	T65-H67 PolarHBondContact O-N 3.12Å; T65-H67 VanDerWaalsContact O-N 3.1Å; T65-L68 HydrophobicContact CG2-CD1 3.92Å; T65-L68 WeakPolarHBondContact O-CB 3.26Å; T65-L68 PolarHBondContact O-N 3.16Å; T65-L76 HydrophobicContact CG2-CD1 4.26Å
66	D	76.6	Confident	72.8	Confident	147 Å²	147	85 Å²	85	79%	0.786	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.1	-171.5	-54.5	-14.6	0	0	0	114
67	H	79.6	Confident	75.5	Confident	142 Å²	142	84.4 Å²	84.4	66%	0.657	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-3.4	177.3	62.5	-82.3	0	0	0	113	T64 T65	T64-H67 PolarHBondContact O-CE1 2.87Å; T64-H67 PolarHBondContact O-ND1 3.32Å; T65-H67 PolarHBondContact O-N 3.12Å; T65-H67 VanDerWaalsContact O-N 3.1Å
68	L	85.2	Confident	78.1	Confident	35 Å²	35	82 Å²	82	18%	0.183	42%	0.42	C	S	.	.	S	Bend	trans	-94.5	154.7	-178.8	-57.1	176.4	0	0	0	110.2	T65 V73 I134 W203	T65-L68 HydrophobicContact CG2-CD1 3.92Å; T65-L68 WeakPolarHBondContact O-CB 3.26Å; T65-L68 PolarHBondContact O-N 3.16Å; L68-V73 HydrophobicContact CB-CG2 3.56Å; L68-V73 HydrophobicContact CD1-CG2 4.31Å; L68-I134 HydrophobicContact CD1-CD1 4.05Å; L68-I134 HydrophobicContact CD1-CG1 4.12Å; L68-W203 HydrophobicContact CD1-CZ2 4.33Å
69	D	93.4	Very high	80.7	Confident	58 Å²	58	80.2 Å²	80.2	31%	0.31	41%	0.406	S	S	.	.			trans	-60.6	134.5	176.3	174.1	-91.7	0	0	0	112.2	K71 Q72 V73 A132 N225	D69-K71 VanDerWaalsContact C-N 3.31Å; D69-K71 PolarHBondContact O-N 2.8Å; D69-K71 WeakPolarHBondContact OD1-CB 3.35Å; D69-K71 PolarHBondContact OD1-N 2.92Å; D69-Q72 HydrophobicContact CB-CB 4.3Å; D69-Q72 HydrophobicContact CB-CG 4.27Å; D69-Q72 PolarHBondContact O-N 2.91Å; D69-Q72 PolarHBondContact OD1-N 3.02Å; D69-Q72 VanDerWaalsContact OD1-N 3.08Å; D69-V73 WeakPolarHBondContact O-CG2 3.42Å; D69-V73 PolarHBondContact O-N 3.08Å; D69-A132 HydrophobicContact CB-CB 3.75Å; D69-N225 PolarHBondContact OD1-ND2 2.76Å; D69-N225 PolarHBondContact OD2-ND2 2.78Å
70	E	90.9	Very high	83.3	Confident	156 Å²	156	70.4 Å²	70.4	73%	0.729	37%	0.369	S	S	*	.	H	α-helix	trans	-59.6	-39	-172.9	-66.6	-177.4	179.4	0	0	113.1	V73 Q74	E70-V73 PolarHBondContact O-N 2.78Å; E70-Q74 WeakPolarHBondContact O-CG 3.39Å; E70-Q74 PolarHBondContact O-N 2.78Å
71	K	91.6	Very high	85.7	Confident	86 Å²	86	68 Å²	68	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-69.5	-44.4	179.7	177	172.6	172.6	174.6	0	110.3	D69 V73 Q74 L75 D223 N225	D69-K71 VanDerWaalsContact C-N 3.31Å; D69-K71 PolarHBondContact O-N 2.8Å; D69-K71 WeakPolarHBondContact OD1-CB 3.35Å; D69-K71 PolarHBondContact OD1-N 2.92Å; K71-V73 VanDerWaalsContact C-N 3.28Å; K71-V73 PolarHBondContact O-N 3.28Å; K71-Q74 PolarHBondContact O-N 2.75Å; K71-L75 WeakPolarHBondContact O-CG 3.36Å; K71-L75 PolarHBondContact O-N 3.33Å; K71-L75 VanDerWaalsContact O-N 3.14Å; K71-D223 IonicContact NZ-OD2 2.82Å; K71-D223 PolarHBondContact NZ-OD2 3.43Å; K71-N225 HydrophobicContact CD-CB 4.27Å; K71-N225 WeakPolarHBondContact CD-OD1 3.37Å
72	Q	92.9	Very high	88	Confident	5 Å²	5	65 Å²	65	2%	0.023	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-34.2	177	-64.9	-67.1	-49.2	0	0	112.1	D69 L75 L76 A132 I134 N225 E226	D69-Q72 HydrophobicContact CB-CB 4.3Å; D69-Q72 HydrophobicContact CB-CG 4.27Å; D69-Q72 PolarHBondContact O-N 2.91Å; D69-Q72 PolarHBondContact OD1-N 3.02Å; D69-Q72 VanDerWaalsContact OD1-N 3.08Å; Q72-L75 PolarHBondContact O-N 3.03Å; Q72-L76 PolarHBondContact O-N 3.18Å; Q72-A132 HydrophobicContact CG-CB 4.39Å; Q72-A132 WeakPolarHBondContact CG-O 3.32Å; Q72-I134 HydrophobicContact CB-CD1 4.18Å; Q72-I134 HydrophobicContact CB-CG1 4.14Å; Q72-N225 PolarHBondContact NE2-OD1 3.15Å; Q72-E226 VanDerWaalsContact NE2-CD 3.33Å; Q72-E226 PolarHBondContact NE2-OE2 3.17Å
73	V	90.8	Very high	89.9	Confident	41 Å²	41	58.2 Å²	58.2	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-39	173.1	172.9	0	0	0	0	112	L68 D69 E70 K71 L75 L76	L68-V73 HydrophobicContact CB-CG2 3.56Å; L68-V73 HydrophobicContact CD1-CG2 4.31Å; D69-V73 WeakPolarHBondContact O-CG2 3.42Å; D69-V73 PolarHBondContact O-N 3.08Å; E70-V73 PolarHBondContact O-N 2.78Å; K71-V73 VanDerWaalsContact C-N 3.28Å; K71-V73 PolarHBondContact O-N 3.28Å; V73-L75 VanDerWaalsContact C-N 3.3Å; V73-L75 PolarHBondContact O-N 3.05Å; V73-L76 VanDerWaalsContact O-CB 3.25Å; V73-L76 WeakPolarHBondContact O-CB 3.32Å; V73-L76 PolarHBondContact O-N 2.72Å; V73-L76 VanDerWaalsContact O-N 3.16Å
74	Q	92	Very high	91.3	Very high	142 Å²	142	58.9 Å²	58.9	66%	0.664	31%	0.309	S	S	*	.	H	α-helix	trans	-62.5	-39.7	175.1	-71.3	170.6	20.9	0	0	111.7	E70 K71 L76 A77	E70-Q74 WeakPolarHBondContact O-CG 3.39Å; E70-Q74 PolarHBondContact O-N 2.78Å; K71-Q74 PolarHBondContact O-N 2.75Å; Q74-L76 PolarHBondContact O-N 3.29Å; Q74-A77 PolarHBondContact O-N 3.06Å
75	L	93.3	Very high	92.5	Very high	28 Å²	28	60 Å²	60	15%	0.147	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-19.3	177	-64.8	173.4	0	0	0	113.2	K71 Q72 V73 A77 E78 K95	K71-L75 WeakPolarHBondContact O-CG 3.36Å; K71-L75 PolarHBondContact O-N 3.33Å; K71-L75 VanDerWaalsContact O-N 3.14Å; Q72-L75 PolarHBondContact O-N 3.03Å; V73-L75 VanDerWaalsContact C-N 3.3Å; V73-L75 PolarHBondContact O-N 3.05Å; L75-A77 PolarHBondContact O-N 3.22Å; L75-A77 VanDerWaalsContact O-N 3.16Å; L75-E78 HydrophobicContact CD2-CG 4.4Å; L75-E78 WeakPolarHBondContact CD2-OE1 3.33Å; L75-E78 VanDerWaalsContact O-CB 3.3Å; L75-E78 WeakPolarHBondContact O-CB 3.47Å; L75-E78 WeakPolarHBondContact O-CG 3.29Å; L75-E78 PolarHBondContact O-N 3.08Å; L75-E78 VanDerWaalsContact O-N 3.08Å; L75-K95 WeakPolarHBondContact O-CD 3.17Å
76	L	94.6	Very high	93.5	Very high	12 Å²	12	63.4 Å²	63.4	6%	0.063	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.2	175.1	-74	-175.8	0	0	0	113.8	T65 Q72 V73 Q74 E78 K95 K96 I134 W203	T65-L76 HydrophobicContact CG2-CD1 4.26Å; Q72-L76 PolarHBondContact O-N 3.18Å; V73-L76 VanDerWaalsContact O-CB 3.25Å; V73-L76 WeakPolarHBondContact O-CB 3.32Å; V73-L76 PolarHBondContact O-N 2.72Å; V73-L76 VanDerWaalsContact O-N 3.16Å; Q74-L76 PolarHBondContact O-N 3.29Å; L76-E78 VanDerWaalsContact C-N 3.34Å; L76-K95 HydrophobicContact CD2-CG 4.45Å; L76-K95 PolarHBondContact O-N 3.32Å; L76-K96 HydrophobicContact CB-CB 4.08Å; L76-K96 HydrophobicContact CD1-CB 4.43Å; L76-K96 HydrophobicContact CD1-CD 4.47Å; L76-K96 HydrophobicContact CD1-CG 4.49Å; L76-K96 HydrophobicContact CD2-CB 4.32Å; L76-K96 PolarHBondContact O-N 3.24Å; L76-I134 HydrophobicContact CD1-CD1 3.66Å; L76-I134 HydrophobicContact CD2-CD1 3.5Å; L76-I134 HydrophobicContact CG-CD1 3.52Å; L76-W203 HydrophobicContact CD1-CH2 3.94Å; L76-W203 HydrophobicContact CD2-CH2 4.17Å; L76-W203 HydrophobicContact CD2-CZ3 4.2Å
77	A	96.2	Very high	94.6	Very high	70 Å²	70	56.5 Å²	56.5	58%	0.579	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-8.1	176.4	0	0	0	0	0	113.6	Q74 L75	Q74-A77 PolarHBondContact O-N 3.06Å; L75-A77 PolarHBondContact O-N 3.22Å; L75-A77 VanDerWaalsContact O-N 3.16Å
78	E	97.4	Very high	95.5	Very high	41 Å²	41	54.7 Å²	54.7	19%	0.192	28%	0.279	C	S	.	.	S	Bend	trans	-56.7	140.6	173.6	-71.5	-179.3	142.2	0	0	110.4	L75 L76 T94 K95 L149	L75-E78 HydrophobicContact CD2-CG 4.4Å; L75-E78 WeakPolarHBondContact CD2-OE1 3.33Å; L75-E78 VanDerWaalsContact O-CB 3.3Å; L75-E78 WeakPolarHBondContact O-CB 3.47Å; L75-E78 WeakPolarHBondContact O-CG 3.29Å; L75-E78 PolarHBondContact O-N 3.08Å; L75-E78 VanDerWaalsContact O-N 3.08Å; L76-E78 VanDerWaalsContact C-N 3.34Å; E78-T94 CarbonylContact O-C 3.53Å; E78-T94 WeakPolarHBondContact O-CA 3.4Å; E78-K95 HydrophobicContact CB-CB 4.46Å; E78-K95 PolarHBondContact O-N 3.04Å; E78-K95 IonicContact OE2-NZ 3.66Å; E78-L149 HydrophobicContact CB-CD2 3.8Å; E78-L149 HydrophobicContact CG-CD2 4.18Å
79	M	98.6	Very high	96.1	Very high	76 Å²	76	57.8 Å²	57.8	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.9	-178.9	-63.7	-60.7	-61.6	0	0	110	A92 D93 T94 L149 H150	M79-A92 HydrophobicContact CE-CB 3.73Å; M79-D93 CarbonylContact C-O 3.58Å; M79-D93 WeakPolarHBondContact CA-O 3.37Å; M79-T94 HydrophobicContact SD-CG2 3.92Å; M79-L149 CarbonylContact O-C 3.52Å; M79-L149 WeakPolarHBondContact O-CA 3.2Å; M79-H150 HydrophobicContact CB-CB 4.11Å; M79-H150 PolarHBondContact O-N 3Å
80	C	98.8	Very high	96.3	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.007	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	157.1	172.8	-61.5	0	0	0	0	110.7	A92 D93 H110	C80-A92 VanDerWaalsContact O-CA 3.31Å; C80-A92 WeakPolarHBondContact O-CA 3.22Å; C80-D93 PolarHBondContact N-O 3.06Å; C80-D93 PolarHBondContact O-N 2.93Å; C80-H110 HydrophobicContact CB-CB 4.18Å
81	I	98.9	Very high	96.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	115.4	173.3	-55	171	0	0	0	108.5	I83 K89 H110 R111 P148 H150 L155	I81-I83 HydrophobicContact CG2-CG2 4.09Å; I81-K89 HydrophobicContact CG2-CB 4.29Å; I81-K89 HydrophobicContact CG2-CD 4.17Å; I81-K89 HydrophobicContact CG2-CG 3.82Å; I81-H110 VanDerWaalsContact O-CA 3.25Å; I81-H110 WeakPolarHBondContact O-CA 3.36Å; I81-H110 WeakPolarHBondContact O-CB 3.43Å; I81-R111 HydrophobicContact CB-CB 4.24Å; I81-R111 PolarHBondContact O-N 2.87Å; I81-P148 HydrophobicContact CD1-CB 3.82Å; I81-P148 HydrophobicContact CD1-CG 3.8Å; I81-H150 HydrophobicContact CG1-CB 4.15Å; I81-L155 HydrophobicContact CD1-CD2 3.67Å; I81-L155 HydrophobicContact CG1-CD2 3.85Å; I81-L155 HydrophobicContact CG2-CD2 4.39Å
82	L	98.9	Very high	97	Very high	21 Å²	21	52 Å²	52	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.3	171.5	-63.2	-174	0	0	0	110.3	K89 I90 G91 D93 L108 H110	L82-K89 WeakPolarHBondContact O-CA 3.41Å; L82-I90 HydrophobicContact CB-CG1 3.95Å; L82-I90 PolarHBondContact O-N 3.03Å; L82-G91 PolarHBondContact N-O 3.21Å; L82-G91 PolarHBondContact O-N 2.95Å; L82-D93 HydrophobicContact CD1-CB 3.94Å; L82-D93 HydrophobicContact CD2-CB 4.05Å; L82-D93 HydrophobicContact CG-CB 4.1Å; L82-L108 HydrophobicContact CD1-CD1 3.75Å; L82-L108 HydrophobicContact CD2-CD1 3.7Å; L82-L108 HydrophobicContact CD2-CG 4.01Å; L82-L108 HydrophobicContact CG-CD1 4.37Å; L82-H110 HydrophobicContact CD2-CB 4.39Å
83	I	98.9	Very high	97.3	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.015	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.2	-176.4	59.6	-176.5	0	0	0	111.4	I81 Q88 L109 R111 I208	I81-I83 HydrophobicContact CG2-CG2 4.09Å; I83-Q88 CarbonylContact C-O 3.45Å; I83-Q88 WeakPolarHBondContact CA-O 3.49Å; I83-L109 HydrophobicContact CD1-CG 4.26Å; I83-L109 HydrophobicContact CG1-CD2 4.1Å; I83-L109 HydrophobicContact CG1-CG 3.8Å; I83-L109 PolarHBondContact N-O 2.81Å; I83-L109 VanDerWaalsContact N-O 3.1Å; I83-R111 HydrophobicContact CD1-CB 4.03Å; I83-R111 HydrophobicContact CG2-CB 4.19Å; I83-I208 HydrophobicContact CD1-CB 3.58Å; I83-I208 HydrophobicContact CD1-CD1 3.81Å; I83-I208 HydrophobicContact CD1-CG1 3.75Å
84	D	98.8	Very high	97.7	Very high	53 Å²	53	53.5 Å²	53.5	28%	0.283	29%	0.287	S	S	.	.			trans	-83.6	178.5	163.4	75.7	6	0	0	0	111.6	N86 D87 Q88 I90	D84-N86 PolarHBondContact O-N 2.8Å; D84-N86 VanDerWaalsContact OD1-C 3.31Å; D84-N86 WeakPolarHBondContact OD1-CA 3.33Å; D84-N86 WeakPolarHBondContact OD1-CB 3.34Å; D84-N86 PolarHBondContact OD1-N 3.4Å; D84-D87 PolarHBondContact O-N 3.21Å; D84-D87 PolarHBondContact OD1-N 2.87Å; D84-Q88 PolarHBondContact N-O 3.05Å; D84-Q88 WeakPolarHBondContact OD1-CB 3.32Å; D84-Q88 PolarHBondContact OD1-N 2.83Å; D84-I90 HydrophobicContact CB-CG2 4.14Å
85	E	98.4	Very high	98	Very high	112 Å²	112	47.8 Å²	47.8	52%	0.523	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-6.4	180	-66.1	-165.3	-169.9	0	0	115	L109 R285	E85-L109 HydrophobicContact CG-CD2 4.49Å; E85-R285 PolarHBondContact O-NH2 2.78Å; E85-R285 IonicContact OE2-CZ 2.94Å; E85-R285 IonicContact OE2-NH1 2.93Å; E85-R285 PolarHBondContact OE2-NH1 3.34Å; E85-R285 IonicContact OE2-NH2 3.42Å
86	N	98.4	Very high	98.2	Very high	102 Å²	102	49.2 Å²	49.2	55%	0.545	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	17.8	175	-56.5	-60.7	0	0	0	111.4	D84 Q88	D84-N86 PolarHBondContact O-N 2.8Å; D84-N86 VanDerWaalsContact OD1-C 3.31Å; D84-N86 WeakPolarHBondContact OD1-CA 3.33Å; D84-N86 WeakPolarHBondContact OD1-CB 3.34Å; D84-N86 PolarHBondContact OD1-N 3.4Å; N86-Q88 HydrophobicContact CB-CG 4.26Å; N86-Q88 PolarHBondContact O-N 3.3Å; N86-Q88 PolarHBondContact O-NE2 3.29Å; N86-Q88 VanDerWaalsContact O-NE2 3.1Å
87	D	98.7	Very high	98.4	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	27%	0.273	C	S	.	.	S	Bend	trans	59.2	28.6	-179.2	-171.2	28.3	0	0	0	113	D84 R111 R192 I208 Y210 I283	D84-D87 PolarHBondContact O-N 3.21Å; D84-D87 PolarHBondContact OD1-N 2.87Å; D87-R111 PolarHBondContact O-NH2 3.49Å; D87-R111 IonicContact OD1-CZ 2.85Å; D87-R111 VanDerWaalsContact OD1-CZ 3.29Å; D87-R111 IonicContact OD1-NE 3.98Å; D87-R111 PolarHBondContact OD1-NE 2.89Å; D87-R111 IonicContact OD1-NH2 3.97Å; D87-R111 PolarHBondContact OD1-NH2 2.8Å; D87-R111 IonicContact OD2-NE 3.09Å; D87-R192 VanDerWaalsContact OD2-CD 3.28Å; D87-R192 WeakPolarHBondContact OD2-CD 3.35Å; D87-R192 IonicContact OD2-CZ 3.69Å; D87-R192 IonicContact OD2-NE 2.75Å; D87-R192 IonicContact OD2-NH1 3.29Å; D87-R192 PolarHBondContact OD2-NH1 3.34Å; D87-I208 HydrophobicContact CB-CD1 3.86Å; D87-I208 HydrophobicContact CB-CG2 4.22Å; D87-Y210 VanDerWaalsContact OD2-CE2 3.28Å; D87-Y210 WeakPolarHBondContact OD2-CE2 3.33Å; D87-Y210 VanDerWaalsContact OD2-CZ 3.25Å; D87-Y210 PolarHBondContact OD2-OH 3.22Å; D87-I283 HydrophobicContact CB-CD1 4.1Å
88	Q	98.6	Very high	98.5	Very high	103 Å²	103	47.2 Å²	47.2	48%	0.481	25%	0.245	S	C	.	.			trans	-88.2	127.2	172.8	-56	-56	-68.2	0	0	109.5	I83 D84 N86 I90	I83-Q88 CarbonylContact C-O 3.45Å; I83-Q88 WeakPolarHBondContact CA-O 3.49Å; D84-Q88 PolarHBondContact N-O 3.05Å; D84-Q88 WeakPolarHBondContact OD1-CB 3.32Å; D84-Q88 PolarHBondContact OD1-N 2.83Å; N86-Q88 HydrophobicContact CB-CG 4.26Å; N86-Q88 PolarHBondContact O-N 3.3Å; N86-Q88 PolarHBondContact O-NE2 3.29Å; N86-Q88 VanDerWaalsContact O-NE2 3.1Å; Q88-I90 PolarHBondContact O-N 3.47Å
89	K	98.4	Very high	98.5	Very high	101 Å²	101	45.5 Å²	45.5	44%	0.439	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	123.5	177.2	-179.2	-176.4	73.9	-176.4	0	111.3	I81 L82 L155	I81-K89 HydrophobicContact CG2-CB 4.29Å; I81-K89 HydrophobicContact CG2-CD 4.17Å; I81-K89 HydrophobicContact CG2-CG 3.82Å; L82-K89 WeakPolarHBondContact O-CA 3.41Å; K89-L155 HydrophobicContact CD-CD2 3.76Å
90	I	98.6	Very high	98.5	Very high	116 Å²	116	42 Å²	42	60%	0.595	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115	-12.1	176.8	61.9	174	0	0	0	113.6	L82 D84 Q88	L82-I90 HydrophobicContact CB-CG1 3.95Å; L82-I90 PolarHBondContact O-N 3.03Å; D84-I90 HydrophobicContact CB-CG2 4.14Å; Q88-I90 PolarHBondContact O-N 3.47Å
91	G	98.4	Very high	98.5	Very high	24 Å²	24	42.3 Å²	42.3	25%	0.247	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.5	-153.5	178.2	0	0	0	0	0	113.9	L82 H150	L82-G91 PolarHBondContact N-O 3.21Å; L82-G91 PolarHBondContact O-N 2.95Å; G91-H150 PolarHBondContact O-CD2 2.85Å
92	A	98.6	Very high	98.4	Very high	37 Å²	37	44.5 Å²	44.5	31%	0.306	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.1	177.7	0	0	0	0	0	109.9	M79 C80 H150	M79-A92 HydrophobicContact CE-CB 3.73Å; C80-A92 VanDerWaalsContact O-CA 3.31Å; C80-A92 WeakPolarHBondContact O-CA 3.22Å; A92-H150 HydrophobicContact CB-CB 3.82Å; A92-H150 VanDerWaalsContact CB-CD2 3.46Å; A92-H150 WeakPolarHBondContact CB-CD2 3.46Å; A92-H150 VanDerWaalsContact CB-CG 3.43Å
93	D	98.6	Very high	98.4	Very high	42 Å²	42	44.3 Å²	44.3	23%	0.225	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	164.6	167.9	-155.1	-19.6	0	0	0	109.5	M79 C80 L82 N97	M79-D93 CarbonylContact C-O 3.58Å; M79-D93 WeakPolarHBondContact CA-O 3.37Å; C80-D93 PolarHBondContact N-O 3.06Å; C80-D93 PolarHBondContact O-N 2.93Å; L82-D93 HydrophobicContact CD1-CB 3.94Å; L82-D93 HydrophobicContact CD2-CB 4.05Å; L82-D93 HydrophobicContact CG-CB 4.1Å; D93-N97 VanDerWaalsContact CG-CB 3.5Å; D93-N97 WeakPolarHBondContact OD1-CB 3.2Å; D93-N97 PolarHBondContact OD1-ND2 3.35Å; D93-N97 WeakPolarHBondContact OD2-CB 3.5Å; D93-N97 PolarHBondContact OD2-ND2 3.02Å
94	T	98.6	Very high	98.4	Very high	36 Å²	36	44.3 Å²	44.3	22%	0.221	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	147.8	177.2	60.5	0	0	0	0	111	E78 M79 K96 N97 C98	E78-T94 CarbonylContact O-C 3.53Å; E78-T94 WeakPolarHBondContact O-CA 3.4Å; M79-T94 HydrophobicContact SD-CG2 3.92Å; T94-K96 PolarHBondContact O-N 3.44Å; T94-N97 PolarHBondContact O-N 2.93Å; T94-N97 WeakPolarHBondContact OG1-CB 3.44Å; T94-N97 PolarHBondContact OG1-N 2.81Å; T94-N97 PolarHBondContact OG1-ND2 2.66Å; T94-C98 PolarHBondContact O-N 3.17Å; T94-C98 PolarHBondContact O-SG 2.81Å
95	K	98.1	Very high	98.4	Very high	22 Å²	22	46.9 Å²	46.9	10%	0.096	25%	0.249	C	C	.	.	H	α-helix	trans	-51.5	-41.5	170.8	-176.1	-178.2	-166.2	165.8	0	110.8	L75 L76 E78 N97 C98 H99	L75-K95 WeakPolarHBondContact O-CD 3.17Å; L76-K95 HydrophobicContact CD2-CG 4.45Å; L76-K95 PolarHBondContact O-N 3.32Å; E78-K95 HydrophobicContact CB-CB 4.46Å; E78-K95 PolarHBondContact O-N 3.04Å; E78-K95 IonicContact OE2-NZ 3.66Å; K95-N97 PolarHBondContact O-N 3.39Å; K95-C98 PolarHBondContact O-N 3.08Å; K95-H99 PolarHBondContact O-N 3.2Å; K95-H99 VanDerWaalsContact O-N 3.15Å; K95-H99 PolarHBondContact O-ND1 3.03Å
96	K	97.8	Very high	98.3	Very high	58 Å²	58	48.2 Å²	48.2	25%	0.252	25%	0.253	S	S	.	.	H	α-helix	trans	-48.1	-61.4	171.2	-176.5	166.5	179.9	169	0	111.6	L76 T94 C98 H99 L100 W203	L76-K96 HydrophobicContact CB-CB 4.08Å; L76-K96 HydrophobicContact CD1-CB 4.43Å; L76-K96 HydrophobicContact CD1-CD 4.47Å; L76-K96 HydrophobicContact CD1-CG 4.49Å; L76-K96 HydrophobicContact CD2-CB 4.32Å; L76-K96 PolarHBondContact O-N 3.24Å; T94-K96 PolarHBondContact O-N 3.44Å; K96-C98 VanDerWaalsContact C-N 3.3Å; K96-C98 PolarHBondContact O-N 3.24Å; K96-H99 PolarHBondContact O-N 3.37Å; K96-L100 HydrophobicContact CG-CD1 4.41Å; K96-L100 WeakPolarHBondContact O-CG 3.38Å; K96-L100 PolarHBondContact O-N 3.33Å; K96-W203 HydrophobicContact CG-CH2 4.05Å; K96-W203 HydrophobicContact CG-CZ3 4.33Å
97	N	98.1	Very high	98.3	Very high	41 Å²	41	45.7 Å²	45.7	22%	0.219	25%	0.252	C	S	.	.	H	α-helix	trans	-64	-37.1	-173.5	-73.8	-19.5	0	0	0	112.6	D93 T94 K95 H99 L100 N103 L108	D93-N97 VanDerWaalsContact CG-CB 3.5Å; D93-N97 WeakPolarHBondContact OD1-CB 3.2Å; D93-N97 PolarHBondContact OD1-ND2 3.35Å; D93-N97 WeakPolarHBondContact OD2-CB 3.5Å; D93-N97 PolarHBondContact OD2-ND2 3.02Å; T94-N97 PolarHBondContact O-N 2.93Å; T94-N97 WeakPolarHBondContact OG1-CB 3.44Å; T94-N97 PolarHBondContact OG1-N 2.81Å; T94-N97 PolarHBondContact OG1-ND2 2.66Å; K95-N97 PolarHBondContact O-N 3.39Å; N97-H99 VanDerWaalsContact C-N 3.26Å; N97-H99 PolarHBondContact O-N 3.47Å; N97-L100 PolarHBondContact O-N 3.34Å; N97-N103 WeakPolarHBondContact O-CB 3.08Å; N97-N103 PolarHBondContact O-ND2 3.3Å; N97-L108 WeakPolarHBondContact O-CD2 3.31Å
98	C	98.6	Very high	98.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-33.3	178.2	-65.7	0	0	0	0	112.7	T94 K95 K96 I104 H110	T94-C98 PolarHBondContact O-N 3.17Å; T94-C98 PolarHBondContact O-SG 2.81Å; K95-C98 PolarHBondContact O-N 3.08Å; K96-C98 VanDerWaalsContact C-N 3.3Å; K96-C98 PolarHBondContact O-N 3.24Å; C98-I104 WeakPolarHBondContact O-CG1 3.37Å; C98-H110 HydrophobicContact CB-CB 4.47Å; C98-H110 WeakPolarHBondContact CB-ND1 3.39Å
99	H	98.5	Very high	98.3	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.019	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	5.2	-173.6	-61.9	68.7	0	0	0	113.6	K95 K96 N97 H110 H147 W203 G204 E205	K95-H99 PolarHBondContact O-N 3.2Å; K95-H99 VanDerWaalsContact O-N 3.15Å; K95-H99 PolarHBondContact O-ND1 3.03Å; K96-H99 PolarHBondContact O-N 3.37Å; N97-H99 VanDerWaalsContact C-N 3.26Å; N97-H99 PolarHBondContact O-N 3.47Å; H99-H110 AromaticContact CE1-CE1 3.81Å; H99-H110 AromaticContact CE1-NE2 3.59Å; H99-H110 AromaticContact NE2-NE2 3.76Å; H99-H147 AromaticContact CE1-CE1 3.3Å; H99-H147 PolarHBondContact CE1-CE1 3.35Å; H99-H147 AromaticContact CE1-NE2 3.58Å; H99-H147 AromaticContact NE2-CE1 3.07Å; H99-H147 PolarHBondContact NE2-CE1 3.01Å; H99-H147 AromaticContact NE2-NE2 3.31Å; H99-H147 PolarHBondContact NE2-NE2 3.45Å; H99-W203 HydrophobicContact CB-CE3 3.94Å; H99-W203 HydrophobicContact CB-CZ3 4.29Å; H99-W203 CarbonylContact O-C 3.55Å; H99-W203 VanDerWaalsContact O-CA 3.27Å; H99-W203 WeakPolarHBondContact O-CA 3.38Å; H99-G204 WeakPolarHBondContact CA-O 3.25Å; H99-G204 WeakPolarHBondContact CB-O 3.49Å; H99-G204 PolarHBondContact O-N 2.95Å; H99-E205 IonicContact CD2-OE1 3.56Å; H99-E205 PolarHBondContact CD2-OE1 2.93Å; H99-E205 VanDerWaalsContact CD2-OE1 3.25Å; H99-E205 IonicContact CD2-OE2 2.53Å; H99-E205 PolarHBondContact CD2-OE2 2.93Å; H99-E205 IonicContact NE2-OE1 3.34Å; H99-E205 IonicContact NE2-OE2 3.58Å; H99-E205 PolarHBondContact NE2-OE2 3.42Å; H99-E205 VanDerWaalsContact NE2-OE2 3.11Å
100	L	98.3	Very high	98.4	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-82.6	124	173.5	-72	178.4	0	0	0	110.4	M60 I63 K96 N97 S102 N103 I104 V202 W203	M60-L100 HydrophobicContact CE-CD1 4.36Å; I63-L100 HydrophobicContact CD1-CD1 3.94Å; I63-L100 HydrophobicContact CD1-CD2 3.23Å; I63-L100 HydrophobicContact CD1-CG 4.21Å; K96-L100 HydrophobicContact CG-CD1 4.41Å; K96-L100 WeakPolarHBondContact O-CG 3.38Å; K96-L100 PolarHBondContact O-N 3.33Å; N97-L100 PolarHBondContact O-N 3.34Å; L100-S102 PolarHBondContact O-N 2.91Å; L100-S102 VanDerWaalsContact O-N 3.11Å; L100-N103 PolarHBondContact O-N 2.94Å; L100-I104 PolarHBondContact O-N 3.05Å; L100-V202 HydrophobicContact CD2-CG1 3.84Å; L100-W203 HydrophobicContact CD2-CD2 4.27Å; L100-W203 HydrophobicContact CD2-CE3 3.91Å; L100-W203 HydrophobicContact CD2-CH2 4.04Å; L100-W203 HydrophobicContact CD2-CZ2 4.36Å; L100-W203 HydrophobicContact CD2-CZ3 3.79Å; L100-W203 HydrophobicContact CG-CZ3 4.3Å
101	N	98.2	Very high	98.4	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-51.6	-40.3	175.8	-73.1	-29.4	0	0	0	111.8	N103 I104 D105 D200 V202 W203 G204	N101-N103 PolarHBondContact O-N 2.93Å; N101-N103 VanDerWaalsContact O-N 3.1Å; N101-I104 PolarHBondContact O-N 2.79Å; N101-D105 WeakPolarHBondContact O-CB 3.41Å; N101-D105 VanDerWaalsContact O-CG 3.22Å; N101-D105 PolarHBondContact O-N 2.71Å; N101-D200 PolarHBondContact ND2-O 3.15Å; N101-V202 WeakPolarHBondContact CB-O 3.41Å; N101-V202 PolarHBondContact N-O 2.74Å; N101-V202 VanDerWaalsContact ND2-C 3.34Å; N101-V202 PolarHBondContact ND2-O 3.07Å; N101-W203 PolarHBondContact ND2-N 3.29Å; N101-W203 PolarHBondContact ND2-O 3.45Å; N101-W203 PolarHBondContact OD1-O 3.16Å; N101-G204 WeakPolarHBondContact OD1-CA 3.15Å; N101-G204 PolarHBondContact OD1-N 3.33Å
102	S	98	Very high	98.4	Very high	46 Å²	46	31.5 Å²	31.5	32%	0.322	18%	0.179	S	C	.	.	H	α-helix	trans	-61.4	-18.8	177.7	68.3	0	0	0	0	115.6	M60 L100 K106	M60-S102 WeakPolarHBondContact CE-OG 3.45Å; L100-S102 PolarHBondContact O-N 2.91Å; L100-S102 VanDerWaalsContact O-N 3.11Å; S102-K106 WeakPolarHBondContact O-CD 3.38Å; S102-K106 WeakPolarHBondContact O-CE 3.28Å; S102-K106 WeakPolarHBondContact O-CG 3.5Å; S102-K106 PolarHBondContact O-NZ 2.9Å
103	N	98.3	Very high	98.4	Very high	17 Å²	17	29.8 Å²	29.8	9%	0.091	17%	0.165	C	C	.	.	H	α-helix	trans	-99.6	-39.5	173.5	-72.2	-23.6	0	0	0	111.5	M60 N97 L100 N101 D105 K106 G107 L108	M60-N103 WeakPolarHBondContact CE-OD1 3.46Å; N97-N103 WeakPolarHBondContact O-CB 3.08Å; N97-N103 PolarHBondContact O-ND2 3.3Å; L100-N103 PolarHBondContact O-N 2.94Å; N101-N103 PolarHBondContact O-N 2.93Å; N101-N103 VanDerWaalsContact O-N 3.1Å; N103-D105 VanDerWaalsContact C-N 3.25Å; N103-D105 PolarHBondContact O-N 2.97Å; N103-K106 WeakPolarHBondContact O-CA 3.2Å; N103-K106 WeakPolarHBondContact O-CB 3.31Å; N103-K106 PolarHBondContact O-N 2.87Å; N103-G107 PolarHBondContact O-N 3.24Å; N103-L108 HydrophobicContact CB-CB 4.09Å; N103-L108 HydrophobicContact CB-CD2 3.75Å; N103-L108 VanDerWaalsContact O-CB 3.31Å; N103-L108 WeakPolarHBondContact O-CB 3.5Å; N103-L108 PolarHBondContact O-N 2.55Å; N103-L108 VanDerWaalsContact O-N 3.15Å
104	I	98.5	Very high	98.4	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-54.7	-43.7	172.5	-70.1	169.2	0	0	0	110.6	C98 L100 N101 K106 G107 K196 H206	C98-I104 WeakPolarHBondContact O-CG1 3.37Å; L100-I104 PolarHBondContact O-N 3.05Å; N101-I104 PolarHBondContact O-N 2.79Å; I104-K106 PolarHBondContact O-N 3.1Å; I104-K106 VanDerWaalsContact O-N 3.17Å; I104-G107 WeakPolarHBondContact O-CA 3.28Å; I104-G107 PolarHBondContact O-N 2.8Å; I104-K196 HydrophobicContact CG2-CD 3.51Å; I104-K196 HydrophobicContact CG2-CG 3.99Å; I104-H206 HydrophobicContact CB-CB 4.3Å; I104-H206 HydrophobicContact CD1-CB 4.29Å; I104-H206 HydrophobicContact CG1-CB 3.93Å; I104-H206 HydrophobicContact CG2-CB 3.62Å
105	D	97.9	Very high	98.4	Very high	106 Å²	106	26.2 Å²	26.2	57%	0.567	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.2	178.1	-69.7	-25.6	0	0	0	113.4	N101 N103 G107	N101-D105 WeakPolarHBondContact O-CB 3.41Å; N101-D105 VanDerWaalsContact O-CG 3.22Å; N101-D105 PolarHBondContact O-N 2.71Å; N103-D105 VanDerWaalsContact C-N 3.25Å; N103-D105 PolarHBondContact O-N 2.97Å; D105-G107 VanDerWaalsContact C-N 3.33Å
106	K	98	Very high	98.5	Very high	140 Å²	140	25.1 Å²	25.1	61%	0.609	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	2.5	171.1	-59.2	171.5	-170.3	145.7	0	112.6	S102 N103 I104	S102-K106 WeakPolarHBondContact O-CD 3.38Å; S102-K106 WeakPolarHBondContact O-CE 3.28Å; S102-K106 WeakPolarHBondContact O-CG 3.5Å; S102-K106 PolarHBondContact O-NZ 2.9Å; N103-K106 WeakPolarHBondContact O-CA 3.2Å; N103-K106 WeakPolarHBondContact O-CB 3.31Å; N103-K106 PolarHBondContact O-N 2.87Å; I104-K106 PolarHBondContact O-N 3.1Å; I104-K106 VanDerWaalsContact O-N 3.17Å
107	G	98.1	Very high	98.5	Very high	50 Å²	50	22.4 Å²	22.4	52%	0.515	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	13	179.4	0	0	0	0	0	114.9	N103 I104 D105 L109	N103-G107 PolarHBondContact O-N 3.24Å; I104-G107 WeakPolarHBondContact O-CA 3.28Å; I104-G107 PolarHBondContact O-N 2.8Å; D105-G107 VanDerWaalsContact C-N 3.33Å; G107-L109 PolarHBondContact O-N 3.44Å
108	L	98.6	Very high	98.6	Very high	37 Å²	37	20.5 Å²	20.5	19%	0.194	12%	0.118	C	C	.	.			trans	-64.4	124.1	174.6	-163.7	70.1	0	0	0	109.3	L82 N97 N103 H206	L82-L108 HydrophobicContact CD1-CD1 3.75Å; L82-L108 HydrophobicContact CD2-CD1 3.7Å; L82-L108 HydrophobicContact CD2-CG 4.01Å; L82-L108 HydrophobicContact CG-CD1 4.37Å; N97-L108 WeakPolarHBondContact O-CD2 3.31Å; N103-L108 HydrophobicContact CB-CB 4.09Å; N103-L108 HydrophobicContact CB-CD2 3.75Å; N103-L108 VanDerWaalsContact O-CB 3.31Å; N103-L108 WeakPolarHBondContact O-CB 3.5Å; N103-L108 PolarHBondContact O-N 2.55Å; N103-L108 VanDerWaalsContact O-N 3.15Å; L108-H206 PolarHBondContact O-ND1 2.85Å
109	L	98.9	Very high	98.6	Very high	6 Å²	6	21 Å²	21	3%	0.031	12%	0.121	C	C	.	.			trans	-135.8	134.7	-172.5	175.7	65.4	0	0	0	108.7	I83 E85 G107 H206 I208	I83-L109 HydrophobicContact CD1-CG 4.26Å; I83-L109 HydrophobicContact CG1-CD2 4.1Å; I83-L109 HydrophobicContact CG1-CG 3.8Å; I83-L109 PolarHBondContact N-O 2.81Å; I83-L109 VanDerWaalsContact N-O 3.1Å; E85-L109 HydrophobicContact CG-CD2 4.49Å; G107-L109 PolarHBondContact O-N 3.44Å; L109-H206 WeakPolarHBondContact CD1-O 3.5Å; L109-I208 HydrophobicContact CD1-CG1 4.3Å; L109-I208 HydrophobicContact CD2-CD1 4.1Å; L109-I208 HydrophobicContact CD2-CG1 4.15Å
110	H	98.9	Very high	98.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	159	-179.9	60.5	-85.4	0	0	0	112.8	C80 I81 L82 C98 H99 H147 E205 H206 E207 I208	C80-H110 HydrophobicContact CB-CB 4.18Å; I81-H110 VanDerWaalsContact O-CA 3.25Å; I81-H110 WeakPolarHBondContact O-CA 3.36Å; I81-H110 WeakPolarHBondContact O-CB 3.43Å; L82-H110 HydrophobicContact CD2-CB 4.39Å; C98-H110 HydrophobicContact CB-CB 4.47Å; C98-H110 WeakPolarHBondContact CB-ND1 3.39Å; H99-H110 AromaticContact CE1-CE1 3.81Å; H99-H110 AromaticContact CE1-NE2 3.59Å; H99-H110 AromaticContact NE2-NE2 3.76Å; H110-H147 AromaticContact CD2-CD2 3.42Å; H110-H147 PolarHBondContact CD2-CD2 3.43Å; H110-H147 VanDerWaalsContact CD2-CD2 3.42Å; H110-H147 AromaticContact CD2-NE2 3.7Å; H110-H147 AromaticContact NE2-CD2 3.58Å; H110-H147 AromaticContact NE2-NE2 3.33Å; H110-H147 PolarHBondContact NE2-NE2 2.92Å; H110-E205 IonicContact CE1-OE2 2.71Å; H110-E205 IonicContact NE2-OE2 2.88Å; H110-H206 PolarHBondContact CE1-O 3.16Å; H110-H206 PolarHBondContact N-O 3.08Å; H110-H206 PolarHBondContact ND1-O 3.43Å; H110-E207 IonicContact CD2-OE1 3.05Å; H110-E207 IonicContact CE1-OE1 3.25Å; H110-E207 WeakPolarHBondContact NE2-CG 3.24Å; H110-E207 IonicContact NE2-OE1 3.55Å; H110-E207 PolarHBondContact NE2-OE1 3.33Å; H110-E207 WeakPolarHBondContact O-CA 3.43Å; H110-I208 PolarHBondContact O-N 3.4Å
111	R	98.9	Very high	98.5	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.019	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.6	176.5	-166.3	174.3	-71.8	160.1	-3.6	110.2	I81 I83 D87 P148 E157 Y210	I81-R111 HydrophobicContact CB-CB 4.24Å; I81-R111 PolarHBondContact O-N 2.87Å; I83-R111 HydrophobicContact CD1-CB 4.03Å; I83-R111 HydrophobicContact CG2-CB 4.19Å; D87-R111 PolarHBondContact O-NH2 3.49Å; D87-R111 IonicContact OD1-CZ 2.85Å; D87-R111 VanDerWaalsContact OD1-CZ 3.29Å; D87-R111 IonicContact OD1-NE 3.98Å; D87-R111 PolarHBondContact OD1-NE 2.89Å; D87-R111 IonicContact OD1-NH2 3.97Å; D87-R111 PolarHBondContact OD1-NH2 2.8Å; D87-R111 IonicContact OD2-NE 3.09Å; R111-P148 HydrophobicContact CB-CG 4.04Å; R111-P148 HydrophobicContact CG-CG 3.88Å; R111-P148 WeakPolarHBondContact O-CD 3.48Å; R111-E157 IonicContact CZ-OE1 3.68Å; R111-E157 IonicContact NH1-OE1 2.78Å; R111-E157 PolarHBondContact NH1-OE1 2.69Å; R111-E157 IonicContact NH2-OE1 3.53Å; R111-E157 PolarHBondContact NH2-OE1 3.18Å; R111-Y210 HydrophobicContact CG-CD2 4.01Å; R111-Y210 HydrophobicContact CG-CE2 3.73Å
112	A	98.9	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	175.1	178	0	0	0	0	0	111.9	S146 E207 I208 Y210	A112-S146 CarbonylContact C-O 3.46Å; A112-S146 WeakPolarHBondContact CA-O 3.38Å; A112-E207 HydrophobicContact CB-CB 3.87Å; A112-E207 HydrophobicContact CB-CG 4Å; A112-E207 VanDerWaalsContact CB-OE1 3.31Å; A112-E207 WeakPolarHBondContact CB-OE1 3.18Å; A112-E207 VanDerWaalsContact CB-OE2 3.29Å; A112-E207 WeakPolarHBondContact CB-OE2 3.22Å; A112-I208 PolarHBondContact N-O 2.84Å; A112-Y210 WeakPolarHBondContact O-CD2 3.48Å; A112-Y210 PolarHBondContact O-N 3.04Å
113	F	98.9	Very high	98.6	Very high	1 Å²	1	35 Å²	35	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.8	168.9	69.2	-98	0	0	0	112.3	V115 C145 S146 V163 A166 A167 R170 D209 Y210 L212	F113-V115 HydrophobicContact CD2-CG2 3.88Å; F113-V115 HydrophobicContact CE2-CG2 3.96Å; F113-C145 WeakPolarHBondContact O-CA 3.25Å; F113-S146 WeakPolarHBondContact CD1-O 3.42Å; F113-S146 VanDerWaalsContact CZ-CB 3.43Å; F113-S146 PolarHBondContact N-O 2.91Å; F113-S146 PolarHBondContact O-N 2.86Å; F113-S146 VanDerWaalsContact O-N 3.13Å; F113-V163 HydrophobicContact CB-CG1 3.56Å; F113-V163 HydrophobicContact CD1-CG1 4.27Å; F113-V163 HydrophobicContact CG-CG1 4.18Å; F113-A166 HydrophobicContact CD1-CB 4.08Å; F113-A166 HydrophobicContact CE1-CB 3.59Å; F113-A166 HydrophobicContact CZ-CB 4.48Å; F113-A167 HydrophobicContact CD2-CB 3.89Å; F113-A167 HydrophobicContact CE2-CB 3.73Å; F113-A167 HydrophobicContact CG-CB 4.4Å; F113-A167 VanDerWaalsContact CZ-CA 3.43Å; F113-A167 HydrophobicContact CZ-CB 4.07Å; F113-R170 HydrophobicContact CZ-CB 3.94Å; F113-R170 HydrophobicContact CZ-CG 3.95Å; F113-D209 WeakPolarHBondContact CA-OD1 3.32Å; F113-D209 PolarHBondContact N-OD1 2.98Å; F113-Y210 VanDerWaalsContact CA-O 3.31Å; F113-Y210 WeakPolarHBondContact CA-O 3.36Å; F113-L212 HydrophobicContact CB-CD1 4.2Å; F113-L212 HydrophobicContact CD2-CD1 4.33Å; F113-L212 HydrophobicContact CG-CD1 4.4Å
114	S	98.9	Very high	98.6	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.5	173.8	-81.7	0	0	0	0	110	D209 Y210 L212	S114-D209 VanDerWaalsContact CB-OD2 3.23Å; S114-D209 WeakPolarHBondContact CB-OD2 3.5Å; S114-D209 PolarHBondContact N-OD1 2.75Å; S114-D209 PolarHBondContact OG-OD2 2.65Å; S114-Y210 PolarHBondContact N-O 2.87Å; S114-L212 PolarHBondContact O-N 3.33Å
115	V	98.9	Very high	98.6	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.9	176.1	-176.7	0	0	0	0	110.6	F113 L117 N142 T143 C144 A167 L171 L212	F113-V115 HydrophobicContact CD2-CG2 3.88Å; F113-V115 HydrophobicContact CE2-CG2 3.96Å; V115-L117 HydrophobicContact CG1-CB 4.47Å; V115-N142 PolarHBondContact N-ND2 2.87Å; V115-N142 PolarHBondContact O-ND2 2.99Å; V115-T143 VanDerWaalsContact O-CB 3.31Å; V115-T143 WeakPolarHBondContact O-CB 3.24Å; V115-T143 PolarHBondContact O-N 3.29Å; V115-T143 VanDerWaalsContact O-N 3.12Å; V115-C144 HydrophobicContact CB-CB 4.27Å; V115-C144 HydrophobicContact CG2-CB 4.38Å; V115-C144 PolarHBondContact N-O 3.39Å; V115-A167 HydrophobicContact CG2-CB 3.79Å; V115-L171 HydrophobicContact CG1-CD1 4.39Å; V115-L171 HydrophobicContact CG1-CD2 4.28Å; V115-L212 CarbonylContact C-O 3.33Å; V115-L212 WeakPolarHBondContact CA-O 3.36Å; V115-L212 HydrophobicContact CG2-CB 4.32Å; V115-L212 HydrophobicContact CG2-CD1 4.25Å
116	F	98.9	Very high	98.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	102.3	167.9	-64.6	-97.2	0	0	0	108.7	F118 L124 N142 I211 L212 F213 M214 F256 I259 L264	F116-F118 HydrophobicContact CB-CE2 3.84Å; F116-F118 HydrophobicContact CB-CZ 4.42Å; F116-L124 HydrophobicContact CB-CD1 4.03Å; F116-L124 HydrophobicContact CD1-CD1 4.04Å; F116-L124 HydrophobicContact CD1-CD2 4.15Å; F116-N142 HydrophobicContact CD1-CB 3.83Å; F116-N142 HydrophobicContact CE1-CB 3.52Å; F116-N142 HydrophobicContact CE2-CB 4.39Å; F116-N142 HydrophobicContact CG-CB 4.4Å; F116-N142 HydrophobicContact CZ-CB 3.81Å; F116-I211 HydrophobicContact CD2-CG2 4.09Å; F116-I211 HydrophobicContact CE2-CG2 4.03Å; F116-L212 PolarHBondContact N-O 2.78Å; F116-F213 HydrophobicContact CB-CD1 4.26Å; F116-F213 HydrophobicContact CB-CD2 4.03Å; F116-F213 HydrophobicContact CB-CE1 4.08Å; F116-F213 HydrophobicContact CB-CE2 3.8Å; F116-F213 HydrophobicContact CB-CG 4.24Å; F116-F213 HydrophobicContact CB-CZ 3.81Å; F116-F213 HydrophobicContact CD1-CZ 4.49Å; F116-F213 HydrophobicContact CD2-CD2 4.25Å; F116-F213 AromaticContact CD2-CE2 3.7Å; F116-F213 HydrophobicContact CD2-CE2 3.7Å; F116-F213 HydrophobicContact CD2-CZ 4.25Å; F116-F213 HydrophobicContact CG-CD2 4.43Å; F116-F213 AromaticContact CG-CE2 3.83Å; F116-F213 HydrophobicContact CG-CE2 3.83Å; F116-F213 AromaticContact CG-CZ 3.94Å; F116-F213 HydrophobicContact CG-CZ 3.94Å; F116-F213 WeakPolarHBondContact O-CA 3.48Å; F116-M214 PolarHBondContact O-N 3.07Å; F116-F256 HydrophobicContact CE1-CD2 4.17Å; F116-F256 HydrophobicContact CE1-CE2 4.02Å; F116-I259 HydrophobicContact CE1-CG2 4.17Å; F116-I259 HydrophobicContact CE2-CD1 4.33Å; F116-I259 HydrophobicContact CE2-CG2 4.29Å; F116-I259 HydrophobicContact CZ-CB 4.29Å; F116-I259 HydrophobicContact CZ-CD1 3.98Å; F116-I259 HydrophobicContact CZ-CG2 3.58Å; F116-L264 HydrophobicContact CD1-CD1 3.57Å; F116-L264 HydrophobicContact CD1-CD2 4.43Å; F116-L264 HydrophobicContact CE1-CD1 3.76Å; F116-L264 HydrophobicContact CE1-CD2 4.07Å; F116-L264 HydrophobicContact CE1-CG 4.49Å; F116-L264 HydrophobicContact CG-CD1 4.4Å
117	L	98.9	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123	179.4	-171.2	153.5	0	0	0	110.1	V115 L125 T143 I177 M214 V218 Y232	V115-L117 HydrophobicContact CG1-CB 4.47Å; L117-L125 HydrophobicContact CB-CB 4.46Å; L117-L125 HydrophobicContact CD2-CB 4.25Å; L117-L125 HydrophobicContact CD2-CD2 4.32Å; L117-L125 PolarHBondContact O-N 3.01Å; L117-T143 HydrophobicContact CB-CG2 3.67Å; L117-T143 PolarHBondContact N-OG1 3.24Å; L117-I177 HydrophobicContact CD1-CD1 4.33Å; L117-M214 CarbonylContact C-O 3.18Å; L117-M214 WeakPolarHBondContact CA-O 3.31Å; L117-V218 HydrophobicContact CD1-CG1 4.11Å; L117-V218 HydrophobicContact CD1-CG2 4.05Å; L117-V218 HydrophobicContact CD2-CG2 4.07Å; L117-Y232 HydrophobicContact CD2-CE1 4.21Å
118	F	98.8	Very high	98.8	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142	175	-61.9	-93.1	0	0	0	110	F116 K123 L124 F213 M214 Q215 K216 L264 W268 L271	F116-F118 HydrophobicContact CB-CE2 3.84Å; F116-F118 HydrophobicContact CB-CZ 4.42Å; F118-K123 CarbonylContact C-O 3.54Å; F118-K123 VanDerWaalsContact CA-O 3.25Å; F118-K123 WeakPolarHBondContact CA-O 3.41Å; F118-L124 HydrophobicContact CD1-CB 4.04Å; F118-L124 HydrophobicContact CD1-CD1 4.47Å; F118-L124 HydrophobicContact CE1-CB 3.67Å; F118-L124 HydrophobicContact CE1-CD1 3.99Å; F118-L124 HydrophobicContact CE1-CG 4.29Å; F118-L124 HydrophobicContact CE2-CD1 4.08Å; F118-L124 HydrophobicContact CZ-CB 4.3Å; F118-L124 HydrophobicContact CZ-CD1 3.8Å; F118-L124 HydrophobicContact CZ-CG 4.45Å; F118-F213 HydrophobicContact CD2-CD1 4.18Å; F118-F213 HydrophobicContact CD2-CE1 4.36Å; F118-F213 AromaticContact CE2-CD1 3.52Å; F118-F213 HydrophobicContact CE2-CD1 3.52Å; F118-F213 AromaticContact CE2-CE1 3.32Å; F118-F213 HydrophobicContact CE2-CE1 3.32Å; F118-F213 HydrophobicContact CE2-CZ 4.25Å; F118-F213 HydrophobicContact CZ-CD1 4.43Å; F118-F213 AromaticContact CZ-CE1 3.82Å; F118-F213 HydrophobicContact CZ-CE1 3.82Å; F118-M214 PolarHBondContact N-O 3.3Å; F118-Q215 HydrophobicContact CB-CB 4.36Å; F118-Q215 HydrophobicContact CB-CG 4.07Å; F118-Q215 CarbonylContact O-C 3.26Å; F118-Q215 WeakPolarHBondContact O-CA 3.47Å; F118-K216 PolarHBondContact O-N 3.11Å; F118-L264 HydrophobicContact CZ-CD1 4.32Å; F118-W268 HydrophobicContact CD1-CD2 4.38Å; F118-W268 AromaticContact CD1-CE2 3.88Å; F118-W268 HydrophobicContact CD1-CZ2 4.2Å; F118-W268 AromaticContact CD1-NE1 3.72Å; F118-W268 AromaticContact CE1-CD1 3.66Å; F118-W268 AromaticContact CE1-CD2 3.45Å; F118-W268 HydrophobicContact CE1-CD2 3.45Å; F118-W268 VanDerWaalsContact CE1-CD2 3.45Å; F118-W268 AromaticContact CE1-CE2 3.36Å; F118-W268 AromaticContact CE1-CE3 3.93Å; F118-W268 HydrophobicContact CE1-CE3 3.93Å; F118-W268 AromaticContact CE1-CG 3.72Å; F118-W268 HydrophobicContact CE1-CG 3.72Å; F118-W268 HydrophobicContact CE1-CH2 4.25Å; F118-W268 AromaticContact CE1-CZ2 3.81Å; F118-W268 HydrophobicContact CE1-CZ2 3.81Å; F118-W268 HydrophobicContact CE1-CZ3 4.28Å; F118-W268 AromaticContact CE1-NE1 3.51Å; F118-W268 HydrophobicContact CZ-CD2 4.17Å; F118-W268 HydrophobicContact CZ-CE3 4.42Å; F118-W268 HydrophobicContact CZ-CG 4.24Å; F118-L271 HydrophobicContact CB-CD1 4.16Å; F118-L271 HydrophobicContact CD1-CD1 3.76Å; F118-L271 HydrophobicContact CD1-CD2 4.39Å; F118-L271 HydrophobicContact CD2-CD1 4.32Å; F118-L271 HydrophobicContact CD2-CD2 3.83Å; F118-L271 HydrophobicContact CE1-CD1 4.27Å; F118-L271 HydrophobicContact CE1-CD2 4.32Å; F118-L271 HydrophobicContact CE2-CD2 3.77Å; F118-L271 HydrophobicContact CG-CD1 3.79Å; F118-L271 HydrophobicContact CG-CD2 4.14Å; F118-L271 HydrophobicContact CZ-CD2 4.01Å
119	N	98.6	Very high	98.8	Very high	12 Å²	12	20.5 Å²	20.5	6%	0.064	10%	0.103	C	C	.	.			trans	-82.8	-177.8	169.8	71.9	3.6	0	0	0	111.9	E121 E122 K123 Q215 D217 Y232	N119-E121 PolarHBondContact O-N 3.06Å; N119-E121 WeakPolarHBondContact OD1-CA 3.4Å; N119-E121 WeakPolarHBondContact OD1-CB 3.46Å; N119-E121 PolarHBondContact OD1-N 2.76Å; N119-E122 PolarHBondContact O-N 2.9Å; N119-E122 PolarHBondContact OD1-N 2.89Å; N119-K123 PolarHBondContact N-O 2.85Å; N119-K123 WeakPolarHBondContact OD1-CB 3.32Å; N119-K123 PolarHBondContact OD1-N 2.94Å; N119-Q215 PolarHBondContact O-NE2 2.78Å; N119-D217 VanDerWaalsContact CB-OD1 3.31Å; N119-D217 WeakPolarHBondContact CB-OD1 3.3Å; N119-Y232 HydrophobicContact CB-CD1 3.97Å; N119-Y232 HydrophobicContact CB-CE1 3.59Å
120	S	98.1	Very high	98.8	Very high	77 Å²	77	20.4 Å²	20.4	54%	0.538	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.3	177.6	54.9	0	0	0	0	114	E122 D217	S120-E122 VanDerWaalsContact C-N 3.26Å; S120-E122 PolarHBondContact O-N 2.72Å; S120-D217 WeakPolarHBondContact CB-OD1 3.48Å; S120-D217 WeakPolarHBondContact CB-OD2 3.5Å; S120-D217 PolarHBondContact N-OD1 3.25Å; S120-D217 PolarHBondContact OG-OD1 3.21Å; S120-D217 PolarHBondContact OG-OD2 3.16Å
121	E	98.3	Very high	98.7	Very high	124 Å²	124	25.4 Å²	25.4	58%	0.579	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	11.2	171.9	-61.7	175.7	-123.3	0	0	113.4	N119 K123	N119-E121 PolarHBondContact O-N 3.06Å; N119-E121 WeakPolarHBondContact OD1-CA 3.4Å; N119-E121 WeakPolarHBondContact OD1-CB 3.46Å; N119-E121 PolarHBondContact OD1-N 2.76Å; E121-K123 HydrophobicContact CB-CD 4.37Å; E121-K123 HydrophobicContact CB-CG 4.29Å; E121-K123 PolarHBondContact O-N 2.85Å; E121-K123 VanDerWaalsContact O-N 3.17Å; E121-K123 IonicContact OE2-NZ 2.66Å; E121-K123 PolarHBondContact OE2-NZ 3.29Å
122	E	98.1	Very high	98.6	Very high	89 Å²	89	26.5 Å²	26.5	42%	0.416	14%	0.14	S	C	.	.			trans	56.7	25.3	-174.2	-54.6	-173.5	162	0	0	113.7	N119 S120 W268 L271	N119-E122 PolarHBondContact O-N 2.9Å; N119-E122 PolarHBondContact OD1-N 2.89Å; S120-E122 VanDerWaalsContact C-N 3.26Å; S120-E122 PolarHBondContact O-N 2.72Å; E122-W268 VanDerWaalsContact O-CE2 3.27Å; E122-W268 VanDerWaalsContact O-CZ2 3.3Å; E122-W268 WeakPolarHBondContact O-CZ2 3.23Å; E122-W268 PolarHBondContact O-NE1 2.84Å; E122-L271 HydrophobicContact CB-CD1 4Å; E122-L271 HydrophobicContact CG-CD1 4.1Å
123	K	98.9	Very high	98.5	Very high	62 Å²	62	27.2 Å²	27.2	27%	0.27	14%	0.143	S	C	.	.			trans	-87.9	136.4	173.2	-66.6	174.8	175	154.4	0	110.4	F118 N119 E121 Y232 V233	F118-K123 CarbonylContact C-O 3.54Å; F118-K123 VanDerWaalsContact CA-O 3.25Å; F118-K123 WeakPolarHBondContact CA-O 3.41Å; N119-K123 PolarHBondContact N-O 2.85Å; N119-K123 WeakPolarHBondContact OD1-CB 3.32Å; N119-K123 PolarHBondContact OD1-N 2.94Å; E121-K123 HydrophobicContact CB-CD 4.37Å; E121-K123 HydrophobicContact CB-CG 4.29Å; E121-K123 PolarHBondContact O-N 2.85Å; E121-K123 VanDerWaalsContact O-N 3.17Å; E121-K123 IonicContact OE2-NZ 2.66Å; E121-K123 PolarHBondContact OE2-NZ 3.29Å; K123-Y232 HydrophobicContact CB-CD1 4.2Å; K123-Y232 HydrophobicContact CB-CG 4.49Å; K123-Y232 WeakPolarHBondContact O-CD1 3.33Å; K123-V233 CarbonylContact C-O 3.56Å; K123-V233 VanDerWaalsContact CA-O 3.24Å; K123-V233 WeakPolarHBondContact CA-O 3.24Å; K123-V233 WeakPolarHBondContact CB-O 3.3Å
124	L	98.9	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.1	177.6	177.2	59.3	0	0	0	110.2	F116 F118 L126 Y232 V233 L238 F256 L264 W268	F116-L124 HydrophobicContact CB-CD1 4.03Å; F116-L124 HydrophobicContact CD1-CD1 4.04Å; F116-L124 HydrophobicContact CD1-CD2 4.15Å; F118-L124 HydrophobicContact CD1-CB 4.04Å; F118-L124 HydrophobicContact CD1-CD1 4.47Å; F118-L124 HydrophobicContact CE1-CB 3.67Å; F118-L124 HydrophobicContact CE1-CD1 3.99Å; F118-L124 HydrophobicContact CE1-CG 4.29Å; F118-L124 HydrophobicContact CE2-CD1 4.08Å; F118-L124 HydrophobicContact CZ-CB 4.3Å; F118-L124 HydrophobicContact CZ-CD1 3.8Å; F118-L124 HydrophobicContact CZ-CG 4.45Å; L124-L126 HydrophobicContact CD2-CD2 3.68Å; L124-L126 HydrophobicContact CG-CD2 3.83Å; L124-L126 PolarHBondContact O-N 2.89Å; L124-Y232 CarbonylContact O-C 3.54Å; L124-Y232 WeakPolarHBondContact O-CA 3.38Å; L124-V233 HydrophobicContact CB-CG2 4.33Å; L124-V233 PolarHBondContact N-O 3.44Å; L124-V233 PolarHBondContact O-N 2.76Å; L124-L238 HydrophobicContact CD2-CD2 4.43Å; L124-F256 HydrophobicContact CD2-CE2 4.25Å; L124-F256 HydrophobicContact CD2-CZ 4.41Å; L124-L264 HydrophobicContact CD2-CD2 3.96Å; L124-W268 HydrophobicContact CB-CH2 3.29Å; L124-W268 HydrophobicContact CB-CZ2 3.78Å; L124-W268 HydrophobicContact CB-CZ3 3.74Å; L124-W268 HydrophobicContact CD2-CH2 4.25Å; L124-W268 HydrophobicContact CD2-CZ3 3.84Å; L124-W268 HydrophobicContact CG-CH2 4.42Å; L124-W268 HydrophobicContact CG-CZ3 4.47Å
125	L	98.9	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	114.4	169.1	-177.8	54.4	0	0	0	110.1	L117 T143 L175 L220 H230 Y232	L117-L125 HydrophobicContact CB-CB 4.46Å; L117-L125 HydrophobicContact CD2-CB 4.25Å; L117-L125 HydrophobicContact CD2-CD2 4.32Å; L117-L125 PolarHBondContact O-N 3.01Å; L125-T143 HydrophobicContact CB-CG2 4.12Å; L125-T143 HydrophobicContact CD2-CG2 3.76Å; L125-T143 HydrophobicContact CG-CG2 3.97Å; L125-T143 VanDerWaalsContact O-CA 3.24Å; L125-T143 WeakPolarHBondContact O-CA 3.39Å; L125-T143 WeakPolarHBondContact O-CB 3.4Å; L125-T143 PolarHBondContact O-N 2.98Å; L125-T143 PolarHBondContact O-OG1 3.41Å; L125-L175 HydrophobicContact CD2-CD1 4.08Å; L125-L220 HydrophobicContact CD1-CD1 4.01Å; L125-L220 HydrophobicContact CD2-CD1 4.05Å; L125-L220 HydrophobicContact CD2-CD2 3.89Å; L125-H230 HydrophobicContact CD1-CB 4.25Å; L125-Y232 HydrophobicContact CB-CD1 3.98Å; L125-Y232 HydrophobicContact CB-CE1 3.57Å; L125-Y232 HydrophobicContact CD1-CD1 4.48Å; L125-Y232 HydrophobicContact CD1-CD2 4.23Å; L125-Y232 HydrophobicContact CD1-CE1 4.27Å; L125-Y232 HydrophobicContact CD1-CE2 4.01Å; L125-Y232 HydrophobicContact CD1-CG 4.47Å; L125-Y232 HydrophobicContact CG-CE1 4.33Å
126	L	98.9	Very high	98.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	150.6	169	-57.5	-175.1	0	0	0	110.6	L124 T141 H230 C231 V233 L238 M241 F256	L124-L126 HydrophobicContact CD2-CD2 3.68Å; L124-L126 HydrophobicContact CG-CD2 3.83Å; L124-L126 PolarHBondContact O-N 2.89Å; L126-T141 WeakPolarHBondContact CA-O 3.38Å; L126-T141 WeakPolarHBondContact CB-O 3.42Å; L126-T141 WeakPolarHBondContact CD2-O 3.4Å; L126-H230 VanDerWaalsContact O-CA 3.24Å; L126-H230 WeakPolarHBondContact O-CA 3.38Å; L126-H230 WeakPolarHBondContact O-CB 3.44Å; L126-C231 PolarHBondContact N-O 2.87Å; L126-C231 PolarHBondContact O-N 2.99Å; L126-V233 HydrophobicContact CD1-CG1 4.06Å; L126-V233 HydrophobicContact CD1-CG2 3.69Å; L126-V233 HydrophobicContact CG-CG2 3.85Å; L126-L238 HydrophobicContact CD1-CD1 4.15Å; L126-M241 HydrophobicContact CD1-CE 3.99Å; L126-M241 HydrophobicContact CD1-SD 3.97Å; L126-F256 HydrophobicContact CD1-CZ 4.46Å; L126-F256 HydrophobicContact CD2-CE1 4.17Å; L126-F256 HydrophobicContact CD2-CE2 3.95Å; L126-F256 HydrophobicContact CD2-CZ 3.47Å; L126-F256 VanDerWaalsContact CD2-CZ 3.47Å
127	Q	98.8	Very high	98.3	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	146.4	166.9	69.2	93.9	93.2	0	0	110.5	F140 T141 N142 T143 I227	Q127-F140 WeakPolarHBondContact O-CA 3.32Å; Q127-T141 HydrophobicContact CG-CG2 3.86Å; Q127-T141 PolarHBondContact N-O 3.47Å; Q127-T141 VanDerWaalsContact N-O 3.15Å; Q127-T141 PolarHBondContact O-N 2.93Å; Q127-N142 WeakPolarHBondContact CG-O 3.44Å; Q127-T143 WeakPolarHBondContact CG-O 3.44Å; Q127-I227 HydrophobicContact CB-CD1 3.96Å; Q127-I227 HydrophobicContact CB-CG1 4.33Å; Q127-I227 HydrophobicContact CB-CG2 4.14Å; Q127-I227 HydrophobicContact CG-CD1 4.32Å
128	Q	98.8	Very high	98.2	Very high	34 Å²	34	32.5 Å²	32.5	16%	0.159	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.5	164	-169.5	-179.2	18.8	0	0	108.3	G138 F140 I227 K228 S229	Q128-G138 WeakPolarHBondContact CG-O 3.35Å; Q128-G138 PolarHBondContact NE2-O 3.46Å; Q128-F140 HydrophobicContact CB-CD1 3.96Å; Q128-F140 HydrophobicContact CB-CD2 4.37Å; Q128-F140 HydrophobicContact CB-CE1 3.79Å; Q128-F140 HydrophobicContact CB-CE2 4.23Å; Q128-F140 HydrophobicContact CB-CG 4.27Å; Q128-F140 HydrophobicContact CB-CZ 3.93Å; Q128-F140 HydrophobicContact CG-CD1 4.45Å; Q128-F140 HydrophobicContact CG-CD2 3.97Å; Q128-F140 HydrophobicContact CG-CE1 4.31Å; Q128-F140 HydrophobicContact CG-CE2 3.83Å; Q128-F140 HydrophobicContact CG-CG 4.3Å; Q128-F140 HydrophobicContact CG-CZ 4.01Å; Q128-I227 CarbonylContact O-C 3.58Å; Q128-K228 HydrophobicContact CB-CB 4.26Å; Q128-K228 HydrophobicContact CG-CB 4.17Å; Q128-K228 HydrophobicContact CG-CD 4.43Å; Q128-K228 PolarHBondContact O-N 3.41Å; Q128-S229 WeakPolarHBondContact CB-OG 3.21Å; Q128-S229 PolarHBondContact N-O 2.92Å; Q128-S229 PolarHBondContact OE1-OG 3.22Å
129	R	98.8	Very high	98.2	Very high	14 Å²	14	33.1 Å²	33.1	5%	0.053	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	138.8	-179	-67.6	-179.6	65.9	88.5	-12	109.2	K133 T135 F136 G138 C139 T141	R129-K133 HydrophobicContact CB-CG 3.98Å; R129-K133 VanDerWaalsContact NH2-CE 3.34Å; R129-T135 VanDerWaalsContact CZ-O 3.26Å; R129-T135 PolarHBondContact NE-O 2.8Å; R129-T135 PolarHBondContact NH2-O 2.78Å; R129-T135 PolarHBondContact NH2-OG1 2.92Å; R129-T135 VanDerWaalsContact NH2-OG1 3.16Å; R129-F136 WeakPolarHBondContact CB-O 3.32Å; R129-F136 WeakPolarHBondContact CD-O 3.5Å; R129-F136 PolarHBondContact NE-O 3.2Å; R129-G138 VanDerWaalsContact O-CA 3.24Å; R129-G138 WeakPolarHBondContact O-CA 3.16Å; R129-G138 PolarHBondContact O-N 3.22Å; R129-G138 VanDerWaalsContact O-N 3.11Å; R129-C139 WeakPolarHBondContact CG-O 3.32Å; R129-C139 PolarHBondContact N-O 3.45Å; R129-T141 HydrophobicContact CG-CG2 4.35Å
130	S	98.6	Very high	98.2	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.028	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-57.8	156.4	172.9	78.4	0	0	0	0	110.9	A132 K133 P137 G138 P224 N225 E226	S130-A132 PolarHBondContact O-N 2.79Å; S130-A132 PolarHBondContact OG-N 2.89Å; S130-K133 WeakPolarHBondContact O-CG 3.28Å; S130-K133 PolarHBondContact O-N 3.49Å; S130-K133 WeakPolarHBondContact OG-CG 3.29Å; S130-K133 PolarHBondContact OG-N 3.41Å; S130-P137 WeakPolarHBondContact O-CA 3.22Å; S130-G138 PolarHBondContact O-N 3.18Å; S130-P224 WeakPolarHBondContact CB-O 3.43Å; S130-N225 WeakPolarHBondContact CB-O 3.16Å; S130-N225 PolarHBondContact OG-O 2.78Å; S130-E226 WeakPolarHBondContact CB-O 3.31Å; S130-E226 PolarHBondContact N-O 3.42Å
131	D	98	Very high	98.3	Very high	105 Å²	105	30.7 Å²	30.7	56%	0.561	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-12	172.5	-57.9	-37.5	0	0	0	111.6	K228	D131-K228 VanDerWaalsContact CG-NZ 3.26Å; D131-K228 IonicContact OD1-NZ 3.82Å; D131-K228 PolarHBondContact OD1-NZ 2.83Å; D131-K228 IonicContact OD2-NZ 3.4Å; D131-K228 PolarHBondContact OD2-NZ 3.36Å
132	A	96.9	Very high	98.3	Very high	27 Å²	27	24.8 Å²	24.8	22%	0.223	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-19.1	177	0	0	0	0	0	113.1	D69 Q72 S130 I134	D69-A132 HydrophobicContact CB-CB 3.75Å; Q72-A132 HydrophobicContact CG-CB 4.39Å; Q72-A132 WeakPolarHBondContact CG-O 3.32Å; S130-A132 PolarHBondContact O-N 2.79Å; S130-A132 PolarHBondContact OG-N 2.89Å; A132-I134 PolarHBondContact O-N 2.99Å
133	K	97.4	Very high	98.3	Very high	16 Å²	16	20.5 Å²	20.5	7%	0.07	11%	0.113	C	C	.	.			trans	-58.8	136.7	179.3	-62.5	-56.7	-66.6	172.6	0	111.2	R129 S130 P137 E226	R129-K133 HydrophobicContact CB-CG 3.98Å; R129-K133 VanDerWaalsContact NH2-CE 3.34Å; S130-K133 WeakPolarHBondContact O-CG 3.28Å; S130-K133 PolarHBondContact O-N 3.49Å; S130-K133 WeakPolarHBondContact OG-CG 3.29Å; S130-K133 PolarHBondContact OG-N 3.41Å; K133-P137 WeakPolarHBondContact O-CB 3.34Å; K133-E226 VanDerWaalsContact CD-OE2 3.31Å; K133-E226 WeakPolarHBondContact CD-OE2 3.4Å; K133-E226 WeakPolarHBondContact CE-OE2 3.16Å; K133-E226 IonicContact NZ-OE2 3.34Å; K133-E226 PolarHBondContact NZ-OE2 2.97Å
134	I	95.9	Very high	98.3	Very high	18 Å²	18	17.6 Å²	17.6	9%	0.092	10%	0.1	C	C	.	.	S	Bend	trans	-70.6	-45.8	179.6	-62.3	175.2	0	0	0	111.2	L68 Q72 L76 A132 W203	L68-I134 HydrophobicContact CD1-CD1 4.05Å; L68-I134 HydrophobicContact CD1-CG1 4.12Å; Q72-I134 HydrophobicContact CB-CD1 4.18Å; Q72-I134 HydrophobicContact CB-CG1 4.14Å; L76-I134 HydrophobicContact CD1-CD1 3.66Å; L76-I134 HydrophobicContact CD2-CD1 3.5Å; L76-I134 HydrophobicContact CG-CD1 3.52Å; A132-I134 PolarHBondContact O-N 2.99Å; I134-W203 HydrophobicContact CG2-CD2 3.48Å; I134-W203 VanDerWaalsContact CG2-CD2 3.48Å; I134-W203 VanDerWaalsContact CG2-CE2 3.43Å; I134-W203 HydrophobicContact CG2-CE3 3.86Å; I134-W203 HydrophobicContact CG2-CG 3.87Å; I134-W203 HydrophobicContact CG2-CH2 4.13Å; I134-W203 HydrophobicContact CG2-CZ2 3.79Å; I134-W203 HydrophobicContact CG2-CZ3 4.17Å
135	T	97.4	Very high	98.3	Very high	11 Å²	11	18.5 Å²	18.5	7%	0.067	11%	0.106	C	C	.	.	S	Bend	trans	-97.9	134.8	173.8	55	0	0	0	0	110.6	R129 W203 E205	R129-T135 VanDerWaalsContact CZ-O 3.26Å; R129-T135 PolarHBondContact NE-O 2.8Å; R129-T135 PolarHBondContact NH2-O 2.78Å; R129-T135 PolarHBondContact NH2-OG1 2.92Å; R129-T135 VanDerWaalsContact NH2-OG1 3.16Å; T135-W203 HydrophobicContact CG2-CB 3.95Å; T135-E205 PolarHBondContact OG1-OE1 2.93Å
136	F	98.2	Very high	98.3	Very high	16 Å²	16	18.9 Å²	18.9	7%	0.07	11%	0.109	C	C	.	.	S	Bend	trans	48.4	51.9	174.9	-50.4	-81.2	0	0	0	114.8	R129 C139 A197 Q198 S199 E205 T253 P254 W255	R129-F136 WeakPolarHBondContact CB-O 3.32Å; R129-F136 WeakPolarHBondContact CD-O 3.5Å; R129-F136 PolarHBondContact NE-O 3.2Å; F136-C139 HydrophobicContact CB-CB 4.17Å; F136-C139 PolarHBondContact O-N 3.03Å; F136-A197 HydrophobicContact CZ-CB 4.1Å; F136-Q198 WeakPolarHBondContact CE1-O 3.32Å; F136-S199 VanDerWaalsContact CE1-CA 3.48Å; F136-S199 PolarHBondContact N-OG 3.26Å; F136-E205 HydrophobicContact CE2-CG 3.71Å; F136-T253 HydrophobicContact CB-CG2 4.09Å; F136-P254 HydrophobicContact CD1-CG 4.39Å; F136-P254 VanDerWaalsContact CE1-CD 3.46Å; F136-P254 HydrophobicContact CE1-CG 3.64Å; F136-P254 HydrophobicContact CZ-CG 4.06Å; F136-W255 HydrophobicContact CD2-CH2 4.12Å; F136-W255 AromaticContact CD2-CZ3 3.61Å; F136-W255 HydrophobicContact CD2-CZ3 3.61Å; F136-W255 AromaticContact CE2-CZ3 3.78Å; F136-W255 HydrophobicContact CE2-CZ3 3.78Å; F136-W255 HydrophobicContact CG-CZ3 4.26Å
137	P	98.2	Very high	98.3	Very high	57 Å²	57	19.5 Å²	19.5	37%	0.37	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	144	176	25.1	-33	0	0	0	111.4	S130 K133 C139	S130-P137 WeakPolarHBondContact O-CA 3.22Å; K133-P137 WeakPolarHBondContact O-CB 3.34Å; P137-C139 PolarHBondContact O-N 3.42Å
138	G	98.3	Very high	98.3	Very high	13 Å²	13	19.3 Å²	19.3	13%	0.134	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	-9.2	176.3	0	0	0	0	0	116.4	Q128 R129 S130	Q128-G138 WeakPolarHBondContact CG-O 3.35Å; Q128-G138 PolarHBondContact NE2-O 3.46Å; R129-G138 VanDerWaalsContact O-CA 3.24Å; R129-G138 WeakPolarHBondContact O-CA 3.16Å; R129-G138 PolarHBondContact O-N 3.22Å; R129-G138 VanDerWaalsContact O-N 3.11Å; S130-G138 PolarHBondContact O-N 3.18Å
139	C	98.8	Very high	98.3	Very high	14 Å²	14	18.9 Å²	18.9	10%	0.095	11%	0.11	C	C	.	.			trans	-73.5	142.9	-179.2	-65.1	0	0	0	0	112.1	R129 F136 P137 D251 T253	R129-C139 WeakPolarHBondContact CG-O 3.32Å; R129-C139 PolarHBondContact N-O 3.45Å; F136-C139 HydrophobicContact CB-CB 4.17Å; F136-C139 PolarHBondContact O-N 3.03Å; P137-C139 PolarHBondContact O-N 3.42Å; C139-D251 WeakPolarHBondContact CA-O 3.48Å; C139-D251 HydrophobicContact CB-CB 4.46Å; C139-T253 HydrophobicContact CB-CG2 3.6Å
140	F	98.9	Very high	98.3	Very high	36 Å²	36	21.5 Å²	21.5	16%	0.158	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	143.4	166.7	-77.5	-93.7	0	0	0	111.3	Q127 Q128 M241 L250 D251 V252 T253	Q127-F140 WeakPolarHBondContact O-CA 3.32Å; Q128-F140 HydrophobicContact CB-CD1 3.96Å; Q128-F140 HydrophobicContact CB-CD2 4.37Å; Q128-F140 HydrophobicContact CB-CE1 3.79Å; Q128-F140 HydrophobicContact CB-CE2 4.23Å; Q128-F140 HydrophobicContact CB-CG 4.27Å; Q128-F140 HydrophobicContact CB-CZ 3.93Å; Q128-F140 HydrophobicContact CG-CD1 4.45Å; Q128-F140 HydrophobicContact CG-CD2 3.97Å; Q128-F140 HydrophobicContact CG-CE1 4.31Å; Q128-F140 HydrophobicContact CG-CE2 3.83Å; Q128-F140 HydrophobicContact CG-CG 4.3Å; Q128-F140 HydrophobicContact CG-CZ 4.01Å; F140-M241 HydrophobicContact CB-CE 4.38Å; F140-M241 HydrophobicContact CD1-CE 3.68Å; F140-M241 HydrophobicContact CD2-CE 4.48Å; F140-M241 HydrophobicContact CE1-CE 4.01Å; F140-M241 HydrophobicContact CG-CE 3.93Å; F140-L250 HydrophobicContact CB-CD1 4Å; F140-L250 HydrophobicContact CD2-CD1 3.29Å; F140-L250 HydrophobicContact CE2-CD1 3.99Å; F140-L250 HydrophobicContact CG-CD1 3.89Å; F140-D251 PolarHBondContact N-O 3.17Å; F140-V252 HydrophobicContact CB-CG1 4.32Å; F140-V252 VanDerWaalsContact O-CA 3.3Å; F140-V252 WeakPolarHBondContact O-CA 3.24Å; F140-T253 PolarHBondContact O-N 3Å
141	T	98.8	Very high	98.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	177.4	179.5	-162.3	0	0	0	0	111.4	L126 Q127 R129 T253 W255	L126-T141 WeakPolarHBondContact CA-O 3.38Å; L126-T141 WeakPolarHBondContact CB-O 3.42Å; L126-T141 WeakPolarHBondContact CD2-O 3.4Å; Q127-T141 HydrophobicContact CG-CG2 3.86Å; Q127-T141 PolarHBondContact N-O 3.47Å; Q127-T141 VanDerWaalsContact N-O 3.15Å; Q127-T141 PolarHBondContact O-N 2.93Å; R129-T141 HydrophobicContact CG-CG2 4.35Å; T141-T253 WeakPolarHBondContact CB-OG1 3.31Å; T141-T253 PolarHBondContact OG1-OG1 2.86Å; T141-W255 HydrophobicContact CG2-CZ2 4.27Å; T141-W255 VanDerWaalsContact OG1-CE2 3.23Å; T141-W255 WeakPolarHBondContact OG1-CZ2 3.46Å; T141-W255 PolarHBondContact OG1-NE1 3.13Å
142	N	98.8	Very high	98.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-62.8	177.2	172.4	58.3	-75.6	0	0	0	111.9	V115 F116 Q127 C144 C145 W255 F256	V115-N142 PolarHBondContact N-ND2 2.87Å; V115-N142 PolarHBondContact O-ND2 2.99Å; F116-N142 HydrophobicContact CD1-CB 3.83Å; F116-N142 HydrophobicContact CE1-CB 3.52Å; F116-N142 HydrophobicContact CE2-CB 4.39Å; F116-N142 HydrophobicContact CG-CB 4.4Å; F116-N142 HydrophobicContact CZ-CB 3.81Å; Q127-N142 WeakPolarHBondContact CG-O 3.44Å; N142-C144 PolarHBondContact O-N 3.42Å; N142-C145 VanDerWaalsContact CG-SG 3.52Å; N142-C145 PolarHBondContact ND2-SG 2.93Å; N142-C145 PolarHBondContact OD1-SG 3.48Å; N142-W255 PolarHBondContact OD1-NE1 3.34Å; N142-F256 HydrophobicContact CB-CD2 3.71Å; N142-F256 HydrophobicContact CB-CE2 3.9Å
143	T	98.9	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-52.1	-48.8	-164.4	-50.4	0	0	0	0	114.6	V115 L117 L125 Q127 L171 L175	V115-T143 VanDerWaalsContact O-CB 3.31Å; V115-T143 WeakPolarHBondContact O-CB 3.24Å; V115-T143 PolarHBondContact O-N 3.29Å; V115-T143 VanDerWaalsContact O-N 3.12Å; L117-T143 HydrophobicContact CB-CG2 3.67Å; L117-T143 PolarHBondContact N-OG1 3.24Å; L125-T143 HydrophobicContact CB-CG2 4.12Å; L125-T143 HydrophobicContact CD2-CG2 3.76Å; L125-T143 HydrophobicContact CG-CG2 3.97Å; L125-T143 VanDerWaalsContact O-CA 3.24Å; L125-T143 WeakPolarHBondContact O-CA 3.39Å; L125-T143 WeakPolarHBondContact O-CB 3.4Å; L125-T143 PolarHBondContact O-N 2.98Å; L125-T143 PolarHBondContact O-OG1 3.41Å; Q127-T143 WeakPolarHBondContact CG-O 3.44Å; T143-L171 HydrophobicContact CG2-CD2 3.97Å; T143-L175 HydrophobicContact CG2-CD1 3.59Å; T143-L175 WeakPolarHBondContact O-CD1 3.42Å
144	C	98.9	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	133.8	-179.6	-179.5	0	0	0	0	109.2	V115 N142 L171 E174	V115-C144 HydrophobicContact CB-CB 4.27Å; V115-C144 HydrophobicContact CG2-CB 4.38Å; V115-C144 PolarHBondContact N-O 3.39Å; N142-C144 PolarHBondContact O-N 3.42Å; C144-L171 HydrophobicContact CB-CD2 3.69Å; C144-L171 HydrophobicContact CB-CG 4.39Å; C144-E174 VanDerWaalsContact SG-CD 3.59Å; C144-E174 PolarHBondContact SG-OE2 3.34Å; C144-E174 VanDerWaalsContact SG-OE2 3.38Å
145	C	98.6	Very high	98.4	Very high	20 Å²	20	29 Å²	29	14%	0.135	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128	178	-50.9	0	0	0	0	109.2	F113 N142 W255	F113-C145 WeakPolarHBondContact O-CA 3.25Å; N142-C145 VanDerWaalsContact CG-SG 3.52Å; N142-C145 PolarHBondContact ND2-SG 2.93Å; N142-C145 PolarHBondContact OD1-SG 3.48Å; C145-W255 HydrophobicContact CB-CZ2 4.16Å; C145-W255 PolarHBondContact SG-NE1 2.89Å
146	S	98.7	Very high	98.4	Very high	8 Å²	8	32.8 Å²	32.8	6%	0.056	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	-162.7	-179.2	-151.9	0	0	0	0	111.8	A112 F113 R170	A112-S146 CarbonylContact C-O 3.46Å; A112-S146 WeakPolarHBondContact CA-O 3.38Å; F113-S146 WeakPolarHBondContact CD1-O 3.42Å; F113-S146 VanDerWaalsContact CZ-CB 3.43Å; F113-S146 PolarHBondContact N-O 2.91Å; F113-S146 PolarHBondContact O-N 2.86Å; F113-S146 VanDerWaalsContact O-N 3.13Å; S146-R170 PolarHBondContact OG-NE 2.98Å
147	H	98.9	Very high	98.4	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.056	19%	0.194	C	C	.	.			trans	-121	137.1	-173.6	-46.2	103.2	0	0	0	111.2	H99 H110 R169 E207	H99-H147 AromaticContact CE1-CE1 3.3Å; H99-H147 PolarHBondContact CE1-CE1 3.35Å; H99-H147 AromaticContact CE1-NE2 3.58Å; H99-H147 AromaticContact NE2-CE1 3.07Å; H99-H147 PolarHBondContact NE2-CE1 3.01Å; H99-H147 AromaticContact NE2-NE2 3.31Å; H99-H147 PolarHBondContact NE2-NE2 3.45Å; H110-H147 AromaticContact CD2-CD2 3.42Å; H110-H147 PolarHBondContact CD2-CD2 3.43Å; H110-H147 VanDerWaalsContact CD2-CD2 3.42Å; H110-H147 AromaticContact CD2-NE2 3.7Å; H110-H147 AromaticContact NE2-CD2 3.58Å; H110-H147 AromaticContact NE2-NE2 3.33Å; H110-H147 PolarHBondContact NE2-NE2 2.92Å; H147-R169 PolarHBondContact O-NH2 3.5Å; H147-E207 IonicContact CD2-OE1 3.81Å; H147-E207 PolarHBondContact CD2-OE1 3.15Å; H147-E207 IonicContact CE1-OE1 3.4Å; H147-E207 IonicContact NE2-OE1 3.26Å; H147-E207 PolarHBondContact NE2-OE1 3.18Å
148	P	98.9	Very high	98.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.			trans	-62.3	134.1	155.3	31.3	-35.4	0	0	0	109.7	I81 R111 E154 V163 A166	I81-P148 HydrophobicContact CD1-CB 3.82Å; I81-P148 HydrophobicContact CD1-CG 3.8Å; R111-P148 HydrophobicContact CB-CG 4.04Å; R111-P148 HydrophobicContact CG-CG 3.88Å; R111-P148 WeakPolarHBondContact O-CD 3.48Å; P148-E154 WeakPolarHBondContact CA-OE2 3.45Å; P148-E154 HydrophobicContact CB-CB 4.35Å; P148-V163 HydrophobicContact CB-CG2 4.3Å; P148-V163 HydrophobicContact CG-CG2 4.1Å; P148-A166 HydrophobicContact CB-CB 3.97Å
149	L	98.8	Very high	98.2	Very high	25 Å²	25	46.9 Å²	46.9	13%	0.131	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-80	148.5	178.1	-64.1	175.4	0	0	0	110.5	E78 M79 M151 E154	E78-L149 HydrophobicContact CB-CD2 3.8Å; E78-L149 HydrophobicContact CG-CD2 4.18Å; M79-L149 CarbonylContact O-C 3.52Å; M79-L149 WeakPolarHBondContact O-CA 3.2Å; L149-M151 HydrophobicContact CB-CG 3.95Å; L149-M151 HydrophobicContact CB-SD 4.11Å; L149-M151 HydrophobicContact CD1-SD 4.07Å; L149-M151 PolarHBondContact O-N 3.21Å; L149-E154 PolarHBondContact N-OE2 2.94Å; L149-E154 WeakPolarHBondContact O-CB 2.93Å
150	H	98.3	Very high	98.2	Very high	68 Å²	68	46.5 Å²	46.5	32%	0.315	23%	0.229	S	C	.	.	S	Bend	trans	-75.2	68.4	171.8	-169.2	-74.1	0	0	0	111	M79 I81 G91 A92	M79-H150 HydrophobicContact CB-CB 4.11Å; M79-H150 PolarHBondContact O-N 3Å; I81-H150 HydrophobicContact CG1-CB 4.15Å; G91-H150 PolarHBondContact O-CD2 2.85Å; A92-H150 HydrophobicContact CB-CB 3.82Å; A92-H150 VanDerWaalsContact CB-CD2 3.46Å; A92-H150 WeakPolarHBondContact CB-CD2 3.46Å; A92-H150 VanDerWaalsContact CB-CG 3.43Å
151	M	96.9	Very high	98.2	Very high	89 Å²	89	46.8 Å²	46.8	44%	0.438	23%	0.232	S	C	.	.	S	Bend	trans	-139.6	153.2	176.7	66.8	-179	-64.1	0	0	110.6	L149 S153 E154 L155	L149-M151 HydrophobicContact CB-CG 3.95Å; L149-M151 HydrophobicContact CB-SD 4.11Å; L149-M151 HydrophobicContact CD1-SD 4.07Å; L149-M151 PolarHBondContact O-N 3.21Å; M151-S153 VanDerWaalsContact CE-OG 3.3Å; M151-S153 WeakPolarHBondContact CE-OG 3.32Å; M151-S153 PolarHBondContact O-N 3.26Å; M151-E154 HydrophobicContact CG-CB 4.14Å; M151-E154 HydrophobicContact CG-CG 4.31Å; M151-E154 PolarHBondContact O-N 2.94Å; M151-L155 VanDerWaalsContact O-CG 3.32Å; M151-L155 WeakPolarHBondContact O-CG 3.45Å; M151-L155 PolarHBondContact O-N 3.13Å
152	D	97	Very high	98.2	Very high	153 Å²	153	46.7 Å²	46.7	82%	0.818	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-38.8	-170.5	-67.5	-10.1	0	0	0	114.3	E154	D152-E154 VanDerWaalsContact C-N 3.32Å; D152-E154 PolarHBondContact O-N 2.88Å
153	S	97.1	Very high	98.2	Very high	48 Å²	48	47 Å²	47	34%	0.336	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-25.5	-178.8	57.1	0	0	0	0	114.4	M151 K165	M151-S153 VanDerWaalsContact CE-OG 3.3Å; M151-S153 WeakPolarHBondContact CE-OG 3.32Å; M151-S153 PolarHBondContact O-N 3.26Å; S153-K165 VanDerWaalsContact O-CD 3.24Å; S153-K165 WeakPolarHBondContact O-CD 3.4Å
154	E	98.7	Very high	98.2	Very high	9 Å²	9	48.4 Å²	48.4	4%	0.042	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-4.7	-175.3	-65.6	-173.3	-164.8	0	0	112.8	P148 L149 M151 D152 G162 K165 A166 R169	P148-E154 WeakPolarHBondContact CA-OE2 3.45Å; P148-E154 HydrophobicContact CB-CB 4.35Å; L149-E154 PolarHBondContact N-OE2 2.94Å; L149-E154 WeakPolarHBondContact O-CB 2.93Å; M151-E154 HydrophobicContact CG-CB 4.14Å; M151-E154 HydrophobicContact CG-CG 4.31Å; M151-E154 PolarHBondContact O-N 2.94Å; D152-E154 VanDerWaalsContact C-N 3.32Å; D152-E154 PolarHBondContact O-N 2.88Å; E154-G162 WeakPolarHBondContact O-CA 3.22Å; E154-K165 HydrophobicContact CG-CB 4.5Å; E154-A166 HydrophobicContact CG-CB 4.29Å; E154-A166 VanDerWaalsContact OE2-CB 3.23Å; E154-A166 WeakPolarHBondContact OE2-CB 3.31Å; E154-R169 IonicContact OE1-CZ 3.78Å; E154-R169 IonicContact OE1-NE 3.11Å; E154-R169 PolarHBondContact OE1-NE 3.04Å; E154-R169 IonicContact OE1-NH2 3.95Å; E154-R169 PolarHBondContact OE1-NH2 2.75Å; E154-R169 IonicContact OE2-CZ 2.78Å; E154-R169 IonicContact OE2-NE 3.99Å; E154-R169 IonicContact OE2-NH2 2.65Å; E154-R169 PolarHBondContact OE2-NH2 3.01Å
155	L	98.6	Very high	98.2	Very high	29 Å²	29	51.9 Å²	51.9	15%	0.152	25%	0.253	C	S	.	.			trans	-85	-6.9	172.1	-74.5	174.4	0	0	0	114.2	I81 K89 M151 E157	I81-L155 HydrophobicContact CD1-CD2 3.67Å; I81-L155 HydrophobicContact CG1-CD2 3.85Å; I81-L155 HydrophobicContact CG2-CD2 4.39Å; K89-L155 HydrophobicContact CD-CD2 3.76Å; M151-L155 VanDerWaalsContact O-CG 3.32Å; M151-L155 WeakPolarHBondContact O-CG 3.45Å; M151-L155 PolarHBondContact O-N 3.13Å; L155-E157 WeakPolarHBondContact O-CG 3.24Å; L155-E157 PolarHBondContact O-N 3.22Å
156	E	98.1	Very high	98.2	Very high	90 Å²	90	50.9 Å²	50.9	42%	0.421	25%	0.247	S	C	.	.			trans	-68.3	114.3	178.5	177.2	58.7	-98	0	0	111	R158 L161 G162	E156-R158 HydrophobicContact CG-CB 4.48Å; E156-R158 WeakPolarHBondContact OE1-CB 3.23Å; E156-R158 PolarHBondContact OE1-N 2.77Å; E156-L161 HydrophobicContact CG-CB 3.94Å; E156-L161 HydrophobicContact CG-CD2 4.14Å; E156-L161 HydrophobicContact CG-CG 4.45Å; E156-G162 WeakPolarHBondContact O-CA 3.5Å; E156-G162 PolarHBondContact O-N 2.91Å
157	E	97.9	Very high	98.2	Very high	89 Å²	89	50.5 Å²	50.5	42%	0.416	24%	0.244	S	C	.	.			trans	-90.7	-21.8	-175.5	-57.4	-165.8	154.7	0	0	112.6	R111 L155 D159 A160	R111-E157 IonicContact CZ-OE1 3.68Å; R111-E157 IonicContact NH1-OE1 2.78Å; R111-E157 PolarHBondContact NH1-OE1 2.69Å; R111-E157 IonicContact NH2-OE1 3.53Å; R111-E157 PolarHBondContact NH2-OE1 3.18Å; L155-E157 WeakPolarHBondContact O-CG 3.24Å; L155-E157 PolarHBondContact O-N 3.22Å; E157-D159 PolarHBondContact O-N 2.82Å; E157-A160 PolarHBondContact O-N 3.48Å
158	R	97.1	Very high	98.2	Very high	185 Å²	185	51.8 Å²	51.8	70%	0.698	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-59.5	126.4	179.7	-178.9	179.2	168.6	167.4	0.9	110.2	E156 A160 L161	E156-R158 HydrophobicContact CG-CB 4.48Å; E156-R158 WeakPolarHBondContact OE1-CB 3.23Å; E156-R158 PolarHBondContact OE1-N 2.77Å; R158-A160 PolarHBondContact O-N 2.65Å; R158-A160 VanDerWaalsContact O-N 3.08Å; R158-L161 WeakPolarHBondContact O-CB 3.34Å; R158-L161 PolarHBondContact O-N 2.95Å
159	D	95.9	Very high	98.2	Very high	109 Å²	109	54.6 Å²	54.6	58%	0.583	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	52.3	30.3	-179.4	-53.6	-45.1	0	0	0	112.5	E157 L161 R164	E157-D159 PolarHBondContact O-N 2.82Å; D159-L161 PolarHBondContact O-N 3.22Å; D159-L161 VanDerWaalsContact O-N 3.08Å; D159-R164 VanDerWaalsContact O-CZ 3.29Å; D159-R164 PolarHBondContact O-NE 3.05Å; D159-R164 PolarHBondContact O-NH2 3.14Å
160	A	98.3	Very high	98.2	Very high	6 Å²	6	53.8 Å²	53.8	5%	0.05	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	50	31	-174.4	0	0	0	0	0	114	E157 R158 G162 V163 R164 Y189 Y210	E157-A160 PolarHBondContact O-N 3.48Å; R158-A160 PolarHBondContact O-N 2.65Å; R158-A160 VanDerWaalsContact O-N 3.08Å; A160-G162 VanDerWaalsContact C-N 3.35Å; A160-G162 PolarHBondContact O-N 3.41Å; A160-V163 PolarHBondContact O-N 2.88Å; A160-R164 WeakPolarHBondContact O-CG 3.29Å; A160-R164 PolarHBondContact O-N 3.17Å; A160-Y189 HydrophobicContact CB-CD1 3.56Å; A160-Y189 HydrophobicContact CB-CE1 4.05Å; A160-Y189 HydrophobicContact CB-CG 3.89Å; A160-Y210 HydrophobicContact CB-CD1 4.07Å; A160-Y210 HydrophobicContact CB-CE1 3.87Å
161	L	98.7	Very high	98.2	Very high	41 Å²	41	50.5 Å²	50.5	22%	0.215	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-39.4	-171.9	-179.5	61	0	0	0	112.7	E156 R158 D159 V163 R164 K165 P184	E156-L161 HydrophobicContact CG-CB 3.94Å; E156-L161 HydrophobicContact CG-CD2 4.14Å; E156-L161 HydrophobicContact CG-CG 4.45Å; R158-L161 WeakPolarHBondContact O-CB 3.34Å; R158-L161 PolarHBondContact O-N 2.95Å; D159-L161 PolarHBondContact O-N 3.22Å; D159-L161 VanDerWaalsContact O-N 3.08Å; L161-V163 VanDerWaalsContact C-N 3.33Å; L161-V163 PolarHBondContact O-N 3.12Å; L161-R164 PolarHBondContact O-N 3.25Å; L161-K165 HydrophobicContact CD1-CD 4.47Å; L161-K165 HydrophobicContact CD1-CG 4.35Å; L161-K165 HydrophobicContact CG-CD 4.2Å; L161-K165 WeakPolarHBondContact O-CG 3.5Å; L161-K165 PolarHBondContact O-N 2.82Å; L161-P184 HydrophobicContact CD1-CB 4.15Å
162	G	98.8	Very high	98.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-42	179.2	0	0	0	0	0	112.5	E154 E156 A160 K165 A166	E154-G162 WeakPolarHBondContact O-CA 3.22Å; E156-G162 WeakPolarHBondContact O-CA 3.5Å; E156-G162 PolarHBondContact O-N 2.91Å; A160-G162 VanDerWaalsContact C-N 3.35Å; A160-G162 PolarHBondContact O-N 3.41Å; G162-K165 PolarHBondContact O-N 3.01Å; G162-A166 PolarHBondContact O-N 2.92Å
163	V	98.9	Very high	98.4	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.03	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-43.1	175.7	172.9	0	0	0	0	111.8	F113 P148 A160 L161 K165 A166 A167 Y210 L212	F113-V163 HydrophobicContact CB-CG1 3.56Å; F113-V163 HydrophobicContact CD1-CG1 4.27Å; F113-V163 HydrophobicContact CG-CG1 4.18Å; P148-V163 HydrophobicContact CB-CG2 4.3Å; P148-V163 HydrophobicContact CG-CG2 4.1Å; A160-V163 PolarHBondContact O-N 2.88Å; L161-V163 VanDerWaalsContact C-N 3.33Å; L161-V163 PolarHBondContact O-N 3.12Å; V163-K165 VanDerWaalsContact C-N 3.31Å; V163-K165 PolarHBondContact O-N 2.86Å; V163-A166 WeakPolarHBondContact O-CB 3.42Å; V163-A166 PolarHBondContact O-N 3.43Å; V163-A167 PolarHBondContact O-N 2.99Å; V163-Y210 HydrophobicContact CB-CD1 4.3Å; V163-Y210 HydrophobicContact CB-CG 4.44Å; V163-Y210 HydrophobicContact CG1-CD1 4.12Å; V163-Y210 HydrophobicContact CG1-CG 3.93Å; V163-Y210 HydrophobicContact CG2-CD1 4.1Å; V163-Y210 HydrophobicContact CG2-CD2 4.24Å; V163-Y210 HydrophobicContact CG2-CE1 4.24Å; V163-Y210 HydrophobicContact CG2-CE2 4.39Å; V163-Y210 HydrophobicContact CG2-CG 4.1Å; V163-L212 HydrophobicContact CG1-CD1 4.1Å; V163-L212 HydrophobicContact CG1-CD2 4.49Å
164	R	98.9	Very high	98.5	Very high	31 Å²	31	43.3 Å²	43.3	12%	0.117	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-34.6	176.7	-67.1	-177	-68.6	139.6	-6.4	112.5	D159 A160 L161 A167 Q168 P184 M187 L212	D159-R164 VanDerWaalsContact O-CZ 3.29Å; D159-R164 PolarHBondContact O-NE 3.05Å; D159-R164 PolarHBondContact O-NH2 3.14Å; A160-R164 WeakPolarHBondContact O-CG 3.29Å; A160-R164 PolarHBondContact O-N 3.17Å; L161-R164 PolarHBondContact O-N 3.25Å; R164-A167 PolarHBondContact O-N 3.26Å; R164-Q168 PolarHBondContact O-N 3.35Å; R164-P184 HydrophobicContact CB-CB 3.84Å; R164-P184 WeakPolarHBondContact CD-O 3.47Å; R164-P184 PolarHBondContact NH1-O 3.12Å; R164-M187 HydrophobicContact CB-SD 4.37Å; R164-M187 WeakPolarHBondContact CD-O 3.42Å; R164-M187 HydrophobicContact CG-CB 4.17Å; R164-L212 HydrophobicContact CG-CD1 4.47Å; R164-L212 HydrophobicContact CG-CD2 4.04Å
165	K	98.9	Very high	98.5	Very high	72 Å²	72	42.9 Å²	42.9	31%	0.313	20%	0.201	S	C	.	.	H	α-helix	trans	-66	-41.9	171.2	-76	172.8	175.1	175.6	0	112.3	S153 E154 L161 G162 V163 A167 Q168 R169 P184	S153-K165 VanDerWaalsContact O-CD 3.24Å; S153-K165 WeakPolarHBondContact O-CD 3.4Å; E154-K165 HydrophobicContact CG-CB 4.5Å; L161-K165 HydrophobicContact CD1-CD 4.47Å; L161-K165 HydrophobicContact CD1-CG 4.35Å; L161-K165 HydrophobicContact CG-CD 4.2Å; L161-K165 WeakPolarHBondContact O-CG 3.5Å; L161-K165 PolarHBondContact O-N 2.82Å; G162-K165 PolarHBondContact O-N 3.01Å; V163-K165 VanDerWaalsContact C-N 3.31Å; V163-K165 PolarHBondContact O-N 2.86Å; K165-A167 VanDerWaalsContact C-N 3.31Å; K165-A167 PolarHBondContact O-N 3.32Å; K165-Q168 PolarHBondContact O-N 3.46Å; K165-R169 PolarHBondContact O-N 2.83Å; K165-P184 HydrophobicContact CG-CG 3.97Å
166	A	98.9	Very high	98.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-42.3	175	0	0	0	0	0	111.6	F113 P148 E154 G162 V163 R169 R170	F113-A166 HydrophobicContact CD1-CB 4.08Å; F113-A166 HydrophobicContact CE1-CB 3.59Å; F113-A166 HydrophobicContact CZ-CB 4.48Å; P148-A166 HydrophobicContact CB-CB 3.97Å; E154-A166 HydrophobicContact CG-CB 4.29Å; E154-A166 VanDerWaalsContact OE2-CB 3.23Å; E154-A166 WeakPolarHBondContact OE2-CB 3.31Å; G162-A166 PolarHBondContact O-N 2.92Å; V163-A166 WeakPolarHBondContact O-CB 3.42Å; V163-A166 PolarHBondContact O-N 3.43Å; A166-R169 PolarHBondContact O-N 3.37Å; A166-R170 WeakPolarHBondContact O-CG 3.38Å; A166-R170 PolarHBondContact O-N 3.44Å
167	A	98.9	Very high	98.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-48.1	174.4	0	0	0	0	0	112.3	F113 V115 V163 R164 K165 R169 R170 L171 M187 L212	F113-A167 HydrophobicContact CD2-CB 3.89Å; F113-A167 HydrophobicContact CE2-CB 3.73Å; F113-A167 HydrophobicContact CG-CB 4.4Å; F113-A167 VanDerWaalsContact CZ-CA 3.43Å; F113-A167 HydrophobicContact CZ-CB 4.07Å; V115-A167 HydrophobicContact CG2-CB 3.79Å; V163-A167 PolarHBondContact O-N 2.99Å; R164-A167 PolarHBondContact O-N 3.26Å; K165-A167 VanDerWaalsContact C-N 3.31Å; K165-A167 PolarHBondContact O-N 3.32Å; A167-R169 VanDerWaalsContact C-N 3.33Å; A167-R169 PolarHBondContact O-N 3.36Å; A167-R170 PolarHBondContact O-N 3.12Å; A167-L171 WeakPolarHBondContact O-CB 3.34Å; A167-L171 VanDerWaalsContact O-CG 3.24Å; A167-L171 WeakPolarHBondContact O-CG 3.42Å; A167-L171 PolarHBondContact O-N 3.39Å; A167-M187 HydrophobicContact CB-CE 4.28Å; A167-M187 HydrophobicContact CB-SD 3.76Å; A167-L212 HydrophobicContact CB-CD1 3.42Å; A167-L212 VanDerWaalsContact CB-CD1 3.42Å
168	Q	98.9	Very high	98.6	Very high	38 Å²	38	35.6 Å²	35.6	18%	0.178	18%	0.176	C	C	.	.	H	α-helix	trans	-55.4	-47.8	174.5	178.6	-174.3	44.6	0	0	111.7	R164 K165 R170 L171 Q172 L179 V182 P184 M187	R164-Q168 PolarHBondContact O-N 3.35Å; K165-Q168 PolarHBondContact O-N 3.46Å; Q168-R170 VanDerWaalsContact C-N 3.35Å; Q168-R170 PolarHBondContact O-N 2.86Å; Q168-L171 PolarHBondContact O-N 3.17Å; Q168-Q172 PolarHBondContact O-N 3.11Å; Q168-Q172 VanDerWaalsContact O-N 3.15Å; Q168-L179 HydrophobicContact CG-CD2 3.58Å; Q168-L179 PolarHBondContact NE2-O 2.93Å; Q168-V182 HydrophobicContact CG-CG2 4.21Å; Q168-V182 VanDerWaalsContact CG-O 3.25Å; Q168-V182 WeakPolarHBondContact CG-O 3.5Å; Q168-V182 PolarHBondContact NE2-O 2.97Å; Q168-P184 HydrophobicContact CB-CG 4.37Å; Q168-M187 HydrophobicContact CB-CE 4.07Å
169	R	98.8	Very high	98.6	Very high	59 Å²	59	29.6 Å²	29.6	22%	0.223	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-44.4	177.8	172.7	178.2	55.8	76.7	6.8	112	H147 E154 K165 A166 A167 Q172 A173	H147-R169 PolarHBondContact O-NH2 3.5Å; E154-R169 IonicContact OE1-CZ 3.78Å; E154-R169 IonicContact OE1-NE 3.11Å; E154-R169 PolarHBondContact OE1-NE 3.04Å; E154-R169 IonicContact OE1-NH2 3.95Å; E154-R169 PolarHBondContact OE1-NH2 2.75Å; E154-R169 IonicContact OE2-CZ 2.78Å; E154-R169 IonicContact OE2-NE 3.99Å; E154-R169 IonicContact OE2-NH2 2.65Å; E154-R169 PolarHBondContact OE2-NH2 3.01Å; K165-R169 PolarHBondContact O-N 2.83Å; A166-R169 PolarHBondContact O-N 3.37Å; A167-R169 VanDerWaalsContact C-N 3.33Å; A167-R169 PolarHBondContact O-N 3.36Å; R169-Q172 PolarHBondContact O-N 3.41Å; R169-A173 WeakPolarHBondContact O-CB 3.3Å; R169-A173 PolarHBondContact O-N 2.95Å
170	R	98.8	Very high	98.7	Very high	8 Å²	8	31.4 Å²	31.4	3%	0.03	16%	0.163	C	C	.	.	H	α-helix	trans	-78	-33.3	-177	-67.7	-65.3	-56.7	176.6	-2.2	113.2	F113 S146 A166 A167 Q168 Q172 A173 E174 E226	F113-R170 HydrophobicContact CZ-CB 3.94Å; F113-R170 HydrophobicContact CZ-CG 3.95Å; S146-R170 PolarHBondContact OG-NE 2.98Å; A166-R170 WeakPolarHBondContact O-CG 3.38Å; A166-R170 PolarHBondContact O-N 3.44Å; A167-R170 PolarHBondContact O-N 3.12Å; Q168-R170 VanDerWaalsContact C-N 3.35Å; Q168-R170 PolarHBondContact O-N 2.86Å; R170-Q172 PolarHBondContact O-N 2.81Å; R170-A173 PolarHBondContact O-N 3.18Å; R170-E174 IonicContact CZ-OE1 2.75Å; R170-E174 IonicContact NE-OE1 3.29Å; R170-E174 PolarHBondContact NE-OE1 2.95Å; R170-E174 VanDerWaalsContact NH2-CD 3.32Å; R170-E174 VanDerWaalsContact NH2-CG 3.32Å; R170-E174 IonicContact NH2-OE1 3.78Å; R170-E174 PolarHBondContact NH2-OE1 2.81Å; R170-E174 WeakPolarHBondContact O-CB 3.11Å; R170-E174 WeakPolarHBondContact O-CG 3.34Å; R170-E174 PolarHBondContact O-N 3.34Å; R170-E226 IonicContact CZ-OE1 3.04Å; R170-E226 IonicContact NH1-OE1 2.84Å; R170-E226 PolarHBondContact NH1-OE1 3.45Å; R170-E226 IonicContact NH2-OE1 2.81Å; R170-E226 PolarHBondContact NH2-OE1 2.76Å; R170-E226 IonicContact NH2-OE2 3.7Å
171	L	98.9	Very high	98.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.7	-40.8	169	-72.8	170	0	0	0	111.2	V115 T143 C144 A167 Q168 L175 G176 I177 V182 M187	V115-L171 HydrophobicContact CG1-CD1 4.39Å; V115-L171 HydrophobicContact CG1-CD2 4.28Å; T143-L171 HydrophobicContact CG2-CD2 3.97Å; C144-L171 HydrophobicContact CB-CD2 3.69Å; C144-L171 HydrophobicContact CB-CG 4.39Å; A167-L171 WeakPolarHBondContact O-CB 3.34Å; A167-L171 VanDerWaalsContact O-CG 3.24Å; A167-L171 WeakPolarHBondContact O-CG 3.42Å; A167-L171 PolarHBondContact O-N 3.39Å; Q168-L171 PolarHBondContact O-N 3.17Å; L171-L175 HydrophobicContact CD2-CD1 3.92Å; L171-L175 WeakPolarHBondContact O-CA 3.41Å; L171-L175 WeakPolarHBondContact O-CB 3.3Å; L171-L175 PolarHBondContact O-N 3.47Å; L171-L175 VanDerWaalsContact O-N 3.11Å; L171-G176 PolarHBondContact O-N 3.34Å; L171-I177 HydrophobicContact CB-CD1 4.18Å; L171-I177 HydrophobicContact CD2-CD1 4.04Å; L171-I177 PolarHBondContact O-N 3.34Å; L171-V182 HydrophobicContact CB-CG2 4.26Å; L171-V182 HydrophobicContact CD1-CB 4.08Å; L171-V182 HydrophobicContact CD1-CG1 4.14Å; L171-V182 HydrophobicContact CD1-CG2 4.18Å; L171-M187 HydrophobicContact CD1-CE 3.54Å
172	Q	98.8	Very high	98.7	Very high	89 Å²	89	30.8 Å²	30.8	42%	0.416	16%	0.158	S	C	.	.	H	α-helix	trans	-66.7	-49.5	171.7	-174.3	-169.9	40.1	0	0	111.9	Q168 R169 R170 E174 G176 I177 L179	Q168-Q172 PolarHBondContact O-N 3.11Å; Q168-Q172 VanDerWaalsContact O-N 3.15Å; R169-Q172 PolarHBondContact O-N 3.41Å; R170-Q172 PolarHBondContact O-N 2.81Å; Q172-E174 PolarHBondContact O-N 3.26Å; Q172-G176 WeakPolarHBondContact O-CA 3.23Å; Q172-G176 PolarHBondContact O-N 2.71Å; Q172-I177 VanDerWaalsContact CA-O 3.3Å; Q172-I177 WeakPolarHBondContact CA-O 3.4Å; Q172-I177 WeakPolarHBondContact CB-O 3.3Å; Q172-L179 HydrophobicContact CB-CD2 3.74Å; Q172-L179 HydrophobicContact CB-CG 4.36Å; Q172-L179 HydrophobicContact CG-CD2 4.2Å; Q172-L179 HydrophobicContact CG-CG 4.31Å
173	A	98.5	Very high	98.7	Very high	45 Å²	45	31.9 Å²	31.9	37%	0.372	17%	0.165	S	C	.	.	H	α-helix	trans	-67.8	-36.1	-173.1	0	0	0	0	0	113.8	R169 R170	R169-A173 WeakPolarHBondContact O-CB 3.3Å; R169-A173 PolarHBondContact O-N 2.95Å; R170-A173 PolarHBondContact O-N 3.18Å
174	E	98.8	Very high	98.7	Very high	4 Å²	4	32 Å²	32	2%	0.019	17%	0.166	C	C	.	.	H	α-helix	trans	-94	-48.3	-175.7	-62.7	178.5	-158.8	0	0	112.2	C144 R170 Q172 P222 D223 E226 I227	C144-E174 VanDerWaalsContact SG-CD 3.59Å; C144-E174 PolarHBondContact SG-OE2 3.34Å; C144-E174 VanDerWaalsContact SG-OE2 3.38Å; R170-E174 IonicContact CZ-OE1 2.75Å; R170-E174 IonicContact NE-OE1 3.29Å; R170-E174 PolarHBondContact NE-OE1 2.95Å; R170-E174 VanDerWaalsContact NH2-CD 3.32Å; R170-E174 VanDerWaalsContact NH2-CG 3.32Å; R170-E174 IonicContact NH2-OE1 3.78Å; R170-E174 PolarHBondContact NH2-OE1 2.81Å; R170-E174 WeakPolarHBondContact O-CB 3.11Å; R170-E174 WeakPolarHBondContact O-CG 3.34Å; R170-E174 PolarHBondContact O-N 3.34Å; Q172-E174 PolarHBondContact O-N 3.26Å; E174-P222 CarbonylContact O-C 3.54Å; E174-P222 VanDerWaalsContact O-CA 3.26Å; E174-P222 WeakPolarHBondContact O-CA 3.37Å; E174-D223 PolarHBondContact O-N 2.96Å; E174-E226 HydrophobicContact CB-CB 4.2Å; E174-E226 HydrophobicContact CG-CB 4.08Å; E174-E226 HydrophobicContact CG-CG 4.07Å; E174-I227 HydrophobicContact CB-CD1 4Å; E174-I227 HydrophobicContact CB-CG1 4.47Å; E174-I227 WeakPolarHBondContact O-CD1 3.5Å
175	L	98.8	Very high	98.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-99.5	-5.8	-174	-73.2	165.5	0	0	0	113.3	L125 T143 L171 I177 L220 S221 P222 I227	L125-L175 HydrophobicContact CD2-CD1 4.08Å; T143-L175 HydrophobicContact CG2-CD1 3.59Å; T143-L175 WeakPolarHBondContact O-CD1 3.42Å; L171-L175 HydrophobicContact CD2-CD1 3.92Å; L171-L175 WeakPolarHBondContact O-CA 3.41Å; L171-L175 WeakPolarHBondContact O-CB 3.3Å; L171-L175 PolarHBondContact O-N 3.47Å; L171-L175 VanDerWaalsContact O-N 3.11Å; L175-I177 HydrophobicContact CB-CD1 3.84Å; L175-I177 HydrophobicContact CB-CG1 3.88Å; L175-I177 HydrophobicContact CD1-CD1 3.9Å; L175-I177 PolarHBondContact O-N 3.49Å; L175-L220 HydrophobicContact CB-CD2 4.13Å; L175-L220 HydrophobicContact CD2-CD2 4.3Å; L175-S221 CarbonylContact O-C 3.56Å; L175-S221 VanDerWaalsContact O-C 3.26Å; L175-S221 PolarHBondContact O-N 2.74Å; L175-P222 HydrophobicContact CD2-CG 4.24Å; L175-I227 HydrophobicContact CD2-CD1 3.28Å; L175-I227 HydrophobicContact CG-CD1 3.59Å
176	G	98.7	Very high	98.6	Very high	26 Å²	26	38.2 Å²	38.2	27%	0.268	20%	0.197	S	C	.	.			trans	69.6	16.1	-178	0	0	0	0	0	114.1	L171 Q172 P178 S221	L171-G176 PolarHBondContact O-N 3.34Å; Q172-G176 WeakPolarHBondContact O-CA 3.23Å; Q172-G176 PolarHBondContact O-N 2.71Å; G176-P178 WeakPolarHBondContact O-CD 3.46Å; G176-S221 VanDerWaalsContact CA-O 3.31Å; G176-S221 WeakPolarHBondContact CA-O 3.4Å
177	I	98.8	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.			trans	-69.3	125.8	-177.9	-61	164	0	0	0	109	L117 L171 Q172 L175 L179 Q181 V182 V218 E219 L220	L117-I177 HydrophobicContact CD1-CD1 4.33Å; L171-I177 HydrophobicContact CB-CD1 4.18Å; L171-I177 HydrophobicContact CD2-CD1 4.04Å; L171-I177 PolarHBondContact O-N 3.34Å; Q172-I177 VanDerWaalsContact CA-O 3.3Å; Q172-I177 WeakPolarHBondContact CA-O 3.4Å; Q172-I177 WeakPolarHBondContact CB-O 3.3Å; L175-I177 HydrophobicContact CB-CD1 3.84Å; L175-I177 HydrophobicContact CB-CG1 3.88Å; L175-I177 HydrophobicContact CD1-CD1 3.9Å; L175-I177 PolarHBondContact O-N 3.49Å; I177-L179 PolarHBondContact O-N 3.01Å; I177-Q181 HydrophobicContact CG2-CB 4.04Å; I177-V182 HydrophobicContact CB-CG2 4.5Å; I177-V182 HydrophobicContact CG2-CB 4.45Å; I177-V182 HydrophobicContact CG2-CG1 3.72Å; I177-V182 HydrophobicContact CG2-CG2 3.85Å; I177-V218 HydrophobicContact CD1-CB 4.41Å; I177-V218 HydrophobicContact CD1-CG2 3.92Å; I177-V218 HydrophobicContact CG1-CB 4.32Å; I177-V218 HydrophobicContact CG1-CG2 4.15Å; I177-V218 HydrophobicContact CG2-CB 4.02Å; I177-V218 HydrophobicContact CG2-CG1 4.12Å; I177-E219 WeakPolarHBondContact CG1-O 3.15Å; I177-L220 HydrophobicContact CD1-CD2 3.93Å; I177-L220 HydrophobicContact CG1-CD2 3.69Å
178	P	98.7	Very high	98.5	Very high	29 Å²	29	40.9 Å²	40.9	19%	0.188	21%	0.213	C	C	.	.			trans	-58.7	137.2	176	-23.7	34.2	0	0	0	111.8	G176 E180 Q181	G176-P178 WeakPolarHBondContact O-CD 3.46Å; P178-E180 HydrophobicContact CB-CG 4.27Å; P178-E180 VanDerWaalsContact CB-OE1 3.28Å; P178-E180 WeakPolarHBondContact CB-OE1 3.42Å; P178-E180 WeakPolarHBondContact CB-OE2 3.44Å; P178-E180 PolarHBondContact O-N 3.38Å; P178-E180 VanDerWaalsContact O-N 3.17Å; P178-Q181 HydrophobicContact CB-CG 4.28Å; P178-Q181 WeakPolarHBondContact O-CB 3.31Å; P178-Q181 PolarHBondContact O-N 3.41Å
179	L	98.3	Very high	98.5	Very high	60 Å²	60	40 Å²	40	31%	0.314	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-58.6	-35	-172.3	-66.6	171.4	0	0	0	112.5	Q168 Q172 I177 Q181 V182	Q168-L179 HydrophobicContact CG-CD2 3.58Å; Q168-L179 PolarHBondContact NE2-O 2.93Å; Q172-L179 HydrophobicContact CB-CD2 3.74Å; Q172-L179 HydrophobicContact CB-CG 4.36Å; Q172-L179 HydrophobicContact CG-CD2 4.2Å; Q172-L179 HydrophobicContact CG-CG 4.31Å; I177-L179 PolarHBondContact O-N 3.01Å; L179-Q181 PolarHBondContact O-N 2.95Å; L179-V182 CarbonylContact O-C 3.57Å; L179-V182 PolarHBondContact O-N 3.22Å; L179-V182 VanDerWaalsContact O-N 3.16Å
180	E	98.2	Very high	98.5	Very high	146 Å²	146	37.2 Å²	37.2	68%	0.682	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-64.7	-22.2	176.9	65.5	-87.4	-154.6	0	0	113.6	P178	P178-E180 HydrophobicContact CB-CG 4.27Å; P178-E180 VanDerWaalsContact CB-OE1 3.28Å; P178-E180 WeakPolarHBondContact CB-OE1 3.42Å; P178-E180 WeakPolarHBondContact CB-OE2 3.44Å; P178-E180 PolarHBondContact O-N 3.38Å; P178-E180 VanDerWaalsContact O-N 3.17Å
181	Q	98.6	Very high	98.5	Very high	34 Å²	34	36.9 Å²	36.9	16%	0.159	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-81.7	-23.5	175.5	-64.2	-175.2	19.1	0	0	111.6	I177 P178 L179 P183 M214 K216 V218 E219	I177-Q181 HydrophobicContact CG2-CB 4.04Å; P178-Q181 HydrophobicContact CB-CG 4.28Å; P178-Q181 WeakPolarHBondContact O-CB 3.31Å; P178-Q181 PolarHBondContact O-N 3.41Å; L179-Q181 PolarHBondContact O-N 2.95Å; Q181-P183 WeakPolarHBondContact O-CD 3.25Å; Q181-M214 WeakPolarHBondContact O-CE 3.45Å; Q181-K216 WeakPolarHBondContact O-CD 3.33Å; Q181-K216 WeakPolarHBondContact O-CE 3.36Å; Q181-K216 PolarHBondContact O-NZ 3.05Å; Q181-V218 HydrophobicContact CB-CG1 4.43Å; Q181-V218 VanDerWaalsContact OE1-CA 3.26Å; Q181-E219 PolarHBondContact NE2-OE2 2.84Å
182	V	98.3	Very high	98.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-126.8	57.9	-176.1	-70	0	0	0	0	112.4	Q168 L171 I177 L179 M187 M214 V218	Q168-V182 HydrophobicContact CG-CG2 4.21Å; Q168-V182 VanDerWaalsContact CG-O 3.25Å; Q168-V182 WeakPolarHBondContact CG-O 3.5Å; Q168-V182 PolarHBondContact NE2-O 2.97Å; L171-V182 HydrophobicContact CB-CG2 4.26Å; L171-V182 HydrophobicContact CD1-CB 4.08Å; L171-V182 HydrophobicContact CD1-CG1 4.14Å; L171-V182 HydrophobicContact CD1-CG2 4.18Å; I177-V182 HydrophobicContact CB-CG2 4.5Å; I177-V182 HydrophobicContact CG2-CB 4.45Å; I177-V182 HydrophobicContact CG2-CG1 3.72Å; I177-V182 HydrophobicContact CG2-CG2 3.85Å; L179-V182 CarbonylContact O-C 3.57Å; L179-V182 PolarHBondContact O-N 3.22Å; L179-V182 VanDerWaalsContact O-N 3.16Å; V182-M187 HydrophobicContact CB-CE 4Å; V182-M187 WeakPolarHBondContact O-CE 3.41Å; V182-M214 HydrophobicContact CB-CE 4.34Å; V182-M214 HydrophobicContact CB-SD 4.18Å; V182-M214 HydrophobicContact CG1-CE 4.02Å; V182-M214 HydrophobicContact CG1-SD 3.86Å; V182-V218 HydrophobicContact CG1-CG1 4.14Å
183	P	98.4	Very high	98.4	Very high	24 Å²	24	33.9 Å²	33.9	16%	0.156	18%	0.182	C	C	.	.			trans	-63.5	141.7	178.6	29.4	-35.2	0	0	0	110.7	Q181 E185 E186	Q181-P183 WeakPolarHBondContact O-CD 3.25Å; P183-E185 WeakPolarHBondContact CB-OE2 3.42Å; P183-E185 PolarHBondContact O-N 3.34Å; P183-E186 HydrophobicContact CG-CB 4.13Å; P183-E186 VanDerWaalsContact CG-CD 3.5Å; P183-E186 HydrophobicContact CG-CG 3.75Å; P183-E186 WeakPolarHBondContact CG-OE1 3.5Å; P183-E186 PolarHBondContact O-N 3.11Å
184	P	98.5	Very high	98.5	Very high	8 Å²	8	32.7 Å²	32.7	5%	0.052	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-53.8	-31.5	-178.2	-28.9	37.5	0	0	0	113.5	L161 R164 K165 Q168 E186 M187	L161-P184 HydrophobicContact CD1-CB 4.15Å; R164-P184 HydrophobicContact CB-CB 3.84Å; R164-P184 WeakPolarHBondContact CD-O 3.47Å; R164-P184 PolarHBondContact NH1-O 3.12Å; K165-P184 HydrophobicContact CG-CG 3.97Å; Q168-P184 HydrophobicContact CB-CG 4.37Å; P184-E186 PolarHBondContact O-N 2.83Å; P184-M187 PolarHBondContact O-N 2.81Å
185	E	97.9	Very high	98.4	Very high	139 Å²	139	33 Å²	33	65%	0.65	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-65.8	-23.9	-178.6	-60.9	72.3	-156.7	0	0	113.6	P183	P183-E185 WeakPolarHBondContact CB-OE2 3.42Å; P183-E185 PolarHBondContact O-N 3.34Å
186	E	97.7	Very high	98.4	Very high	94 Å²	94	38.9 Å²	38.9	44%	0.439	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-88.9	-10	177.2	-71	179.3	-151.3	0	0	112.8	P183 P184 M214 K216	P183-E186 HydrophobicContact CG-CB 4.13Å; P183-E186 VanDerWaalsContact CG-CD 3.5Å; P183-E186 HydrophobicContact CG-CG 3.75Å; P183-E186 WeakPolarHBondContact CG-OE1 3.5Å; P183-E186 PolarHBondContact O-N 3.11Å; P184-E186 PolarHBondContact O-N 2.83Å; E186-M214 HydrophobicContact CB-CE 3.73Å; E186-M214 VanDerWaalsContact OE2-CE 3.29Å; E186-M214 WeakPolarHBondContact OE2-CE 3.48Å; E186-K216 IonicContact OE1-NZ 3.4Å; E186-K216 PolarHBondContact OE1-NZ 3.37Å; E186-K216 IonicContact OE2-NZ 2.77Å; E186-K216 PolarHBondContact OE2-NZ 3.1Å
187	M	98.1	Very high	98.4	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.034	19%	0.187	C	C	.	.			trans	-84.1	123.1	176.6	-61.1	-177.7	-171.5	0	0	111	R164 A167 Q168 L171 V182 P184 L212 M214	R164-M187 HydrophobicContact CB-SD 4.37Å; R164-M187 WeakPolarHBondContact CD-O 3.42Å; R164-M187 HydrophobicContact CG-CB 4.17Å; A167-M187 HydrophobicContact CB-CE 4.28Å; A167-M187 HydrophobicContact CB-SD 3.76Å; Q168-M187 HydrophobicContact CB-CE 4.07Å; L171-M187 HydrophobicContact CD1-CE 3.54Å; V182-M187 HydrophobicContact CB-CE 4Å; V182-M187 WeakPolarHBondContact O-CE 3.41Å; P184-M187 PolarHBondContact O-N 2.81Å; M187-L212 HydrophobicContact SD-CD1 4.41Å; M187-M214 HydrophobicContact CE-SD 4.48Å; M187-M214 HydrophobicContact CG-SD 4.04Å
188	T	98.3	Very high	98.3	Very high	49 Å²	49	44.2 Å²	44.2	30%	0.301	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	114.8	175.5	-53.7	0	0	0	0	109.7	L190 L212 F213 M278	T188-L190 HydrophobicContact CG2-CD1 3.65Å; T188-L190 WeakPolarHBondContact O-CD1 3.36Å; T188-L190 PolarHBondContact O-N 3.38Å; T188-L212 CarbonylContact O-C 3.55Å; T188-L212 WeakPolarHBondContact O-CA 3.33Å; T188-F213 PolarHBondContact N-O 2.99Å; T188-F213 PolarHBondContact O-N 3.34Å; T188-M278 HydrophobicContact CG2-SD 4.27Å
189	Y	98.6	Very high	98.3	Very high	20 Å²	20	44.5 Å²	44.5	8%	0.078	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	114.6	168.9	164.9	-135.3	0	0	0	109.8	A160 T191 R192 Y210 L212 M278 H280	A160-Y189 HydrophobicContact CB-CD1 3.56Å; A160-Y189 HydrophobicContact CB-CE1 4.05Å; A160-Y189 HydrophobicContact CB-CG 3.89Å; Y189-T191 WeakPolarHBondContact CE2-O 3.37Å; Y189-R192 HydrophobicContact CE2-CG 4.1Å; Y189-R192 WeakPolarHBondContact OH-CD 3.43Å; Y189-R192 WeakPolarHBondContact OH-CG 3.29Å; Y189-R192 PolarHBondContact OH-NE 3.42Å; Y189-Y210 AromaticContact CD2-CD1 3.72Å; Y189-Y210 HydrophobicContact CD2-CD1 3.72Å; Y189-Y210 HydrophobicContact CD2-CE1 4.45Å; Y189-Y210 HydrophobicContact CE1-CD1 4.35Å; Y189-Y210 HydrophobicContact CE1-CE1 4.15Å; Y189-Y210 AromaticContact CE2-CD1 3.33Å; Y189-Y210 HydrophobicContact CE2-CD1 3.33Å; Y189-Y210 AromaticContact CE2-CE1 3.83Å; Y189-Y210 HydrophobicContact CE2-CE1 3.83Å; Y189-Y210 HydrophobicContact CE2-CG 4.11Å; Y189-Y210 HydrophobicContact CG-CD1 4.39Å; Y189-Y210 AromaticContact CZ-CD1 3.71Å; Y189-Y210 AromaticContact CZ-CE1 3.68Å; Y189-L212 HydrophobicContact CD2-CD2 4.3Å; Y189-M278 WeakPolarHBondContact O-CE 3.27Å; Y189-H280 AromaticContact CD1-CD2 3.62Å; Y189-H280 AromaticContact CD1-CE1 3.53Å; Y189-H280 AromaticContact CD1-CG 3.98Å; Y189-H280 AromaticContact CD1-ND1 3.95Å; Y189-H280 AromaticContact CD1-NE2 3.33Å; Y189-H280 VanDerWaalsContact CD1-NE2 3.33Å; Y189-H280 WeakPolarHBondContact CD1-NE2 3.39Å; Y189-H280 HydrophobicContact CE1-CB 4.06Å; Y189-H280 AromaticContact CE1-CD2 3.34Å; Y189-H280 WeakPolarHBondContact CE1-CD2 3.34Å; Y189-H280 AromaticContact CE1-CE1 3.87Å; Y189-H280 AromaticContact CE1-CG 3.51Å; Y189-H280 AromaticContact CE1-ND1 3.86Å; Y189-H280 AromaticContact CE1-NE2 3.6Å; Y189-H280 AromaticContact CG-NE2 3.84Å; Y189-H280 AromaticContact CZ-CD2 3.79Å; Y189-H280 PolarHBondContact O-NE2 3.1Å
190	L	98.3	Very high	98.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-63	-176.9	-94.2	67.9	0	0	0	112.2	T188 I211 F213 W267 L274 M278 D279 H280	T188-L190 HydrophobicContact CG2-CD1 3.65Å; T188-L190 WeakPolarHBondContact O-CD1 3.36Å; T188-L190 PolarHBondContact O-N 3.38Å; L190-I211 HydrophobicContact CB-CB 4.46Å; L190-I211 HydrophobicContact CB-CG2 4.41Å; L190-I211 PolarHBondContact N-O 3.22Å; L190-F213 HydrophobicContact CD1-CB 3.8Å; L190-F213 HydrophobicContact CD1-CD2 3.8Å; L190-F213 HydrophobicContact CD1-CG 3.93Å; L190-F213 HydrophobicContact CD2-CD2 3.71Å; L190-F213 HydrophobicContact CD2-CE2 3.8Å; L190-F213 HydrophobicContact CD2-CG 4.22Å; L190-F213 HydrophobicContact CD2-CZ 4.36Å; L190-F213 HydrophobicContact CG-CD2 4.29Å; L190-W267 HydrophobicContact CD2-CD2 3.93Å; L190-W267 HydrophobicContact CD2-CE3 4.37Å; L190-W267 HydrophobicContact CD2-CG 4.09Å; L190-W267 HydrophobicContact CD2-CZ2 4.46Å; L190-L274 HydrophobicContact CD1-CB 4.35Å; L190-L274 HydrophobicContact CD1-CD1 4.32Å; L190-L274 HydrophobicContact CD2-CD2 4.31Å; L190-M278 CarbonylContact O-C 3.6Å; L190-M278 VanDerWaalsContact O-CA 3.32Å; L190-M278 WeakPolarHBondContact O-CA 3.41Å; L190-D279 PolarHBondContact O-N 2.8Å; L190-H280 PolarHBondContact O-CD2 2.75Å
191	T	98.7	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	179.6	-171.3	-171.6	0	0	0	0	110.8	Y189 I211 W267 D279 H284	Y189-T191 WeakPolarHBondContact CE2-O 3.37Å; T191-I211 HydrophobicContact CG2-CB 4.33Å; T191-I211 HydrophobicContact CG2-CG1 4.08Å; T191-I211 PolarHBondContact O-N 3.27Å; T191-W267 HydrophobicContact CG2-CH2 4.11Å; T191-W267 HydrophobicContact CG2-CZ2 3.96Å; T191-D279 WeakPolarHBondContact CA-O 3.34Å; T191-D279 PolarHBondContact OG1-O 2.92Å; T191-H284 PolarHBondContact OG1-CD2 3.33Å; T191-H284 PolarHBondContact OG1-NE2 3.48Å
192	R	98.8	Very high	97.8	Very high	26 Å²	26	43.1 Å²	43.1	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.9	174.2	-71.5	165.7	-59.6	-179	0.7	112.1	D87 Y189 I208 D209 Y210 H280 I283 H284	D87-R192 VanDerWaalsContact OD2-CD 3.28Å; D87-R192 WeakPolarHBondContact OD2-CD 3.35Å; D87-R192 IonicContact OD2-CZ 3.69Å; D87-R192 IonicContact OD2-NE 2.75Å; D87-R192 IonicContact OD2-NH1 3.29Å; D87-R192 PolarHBondContact OD2-NH1 3.34Å; Y189-R192 HydrophobicContact CE2-CG 4.1Å; Y189-R192 WeakPolarHBondContact OH-CD 3.43Å; Y189-R192 WeakPolarHBondContact OH-CG 3.29Å; Y189-R192 PolarHBondContact OH-NE 3.42Å; R192-I208 HydrophobicContact CB-CG2 3.84Å; R192-I208 HydrophobicContact CG-CG2 4.11Å; R192-D209 CarbonylContact C-O 3.43Å; R192-D209 VanDerWaalsContact CA-O 3.23Å; R192-D209 WeakPolarHBondContact CA-O 3.39Å; R192-Y210 HydrophobicContact CG-CD1 4.27Å; R192-Y210 HydrophobicContact CG-CD2 3.9Å; R192-Y210 HydrophobicContact CG-CE1 4.29Å; R192-Y210 HydrophobicContact CG-CE2 3.9Å; R192-Y210 HydrophobicContact CG-CG 4.08Å; R192-H280 PolarHBondContact NH2-O 3.49Å; R192-I283 HydrophobicContact CB-CG1 4.14Å; R192-I283 HydrophobicContact CB-CG2 4.4Å; R192-H284 PolarHBondContact O-CD2 3.48Å; R192-H284 VanDerWaalsContact O-CD2 3.32Å; R192-H284 PolarHBondContact O-N 2.82Å
193	I	98.6	Very high	97.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.1	176	-59.1	178.9	0	0	0	109.1	D209 I211 L258 I259 F263 H284 M286	I193-D209 PolarHBondContact N-O 2.78Å; I193-D209 WeakPolarHBondContact O-CB 2.95Å; I193-D209 PolarHBondContact O-N 3.28Å; I193-I211 HydrophobicContact CD1-CD1 3.89Å; I193-I211 HydrophobicContact CD1-CG1 3.94Å; I193-I211 HydrophobicContact CG1-CD1 4.22Å; I193-I211 HydrophobicContact CG1-CG1 4.06Å; I193-L258 HydrophobicContact CG2-CD2 4.35Å; I193-I259 HydrophobicContact CD1-CD1 4.21Å; I193-I259 HydrophobicContact CD1-CG1 3.67Å; I193-F263 HydrophobicContact CD1-CD2 3.93Å; I193-F263 HydrophobicContact CD1-CE2 3.79Å; I193-F263 HydrophobicContact CG1-CE2 4.43Å; I193-H284 CarbonylContact C-O 3.58Å; I193-H284 VanDerWaalsContact CA-O 3.32Å; I193-H284 WeakPolarHBondContact CA-O 3.41Å; I193-H284 HydrophobicContact CG1-CB 4.26Å; I193-M286 HydrophobicContact CD1-SD 4.3Å; I193-M286 HydrophobicContact CG2-CB 4.36Å; I193-M286 HydrophobicContact CG2-CG 4.03Å; I193-M286 HydrophobicContact CG2-SD 3.64Å
194	H	98.8	Very high	97.8	Very high	20 Å²	20	42.4 Å²	42.4	9%	0.093	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.1	170.1	-179.6	-170.7	0	0	0	109	H206 E207 I208 I283 H284 R285 M286	H194-H206 AromaticContact CE1-NE2 3.99Å; H194-H206 AromaticContact NE2-CD2 3.52Å; H194-H206 AromaticContact NE2-NE2 3.14Å; H194-H206 PolarHBondContact NE2-NE2 2.82Å; H194-H206 VanDerWaalsContact NE2-NE2 3.14Å; H194-E207 VanDerWaalsContact CA-O 3.29Å; H194-E207 WeakPolarHBondContact CA-O 3.47Å; H194-E207 PolarHBondContact CD2-O 3.19Å; H194-I208 HydrophobicContact CB-CG1 4.15Å; H194-I283 HydrophobicContact CB-CG2 3.65Å; H194-H284 PolarHBondContact N-O 3.18Å; H194-R285 HydrophobicContact CB-CG 4.25Å; H194-R285 PolarHBondContact ND1-NH1 3.4Å; H194-M286 PolarHBondContact O-N 2.59Å
195	Y	98.5	Very high	97.8	Very high	11 Å²	11	42.5 Å²	42.5	4%	0.043	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	163.3	178.2	79.5	-83.8	0	0	0	111.7	A197 E205 E207 D209 W255	Y195-A197 HydrophobicContact CD2-CB 4.27Å; Y195-A197 HydrophobicContact CE2-CB 4.17Å; Y195-E205 HydrophobicContact CE2-CB 3.94Å; Y195-E207 HydrophobicContact CD1-CB 4.39Å; Y195-E207 HydrophobicContact CE1-CB 3.82Å; Y195-E207 HydrophobicContact CE1-CG 4.31Å; Y195-E207 WeakPolarHBondContact CE1-OE2 3.3Å; Y195-E207 VanDerWaalsContact CZ-OE2 3.31Å; Y195-E207 PolarHBondContact N-O 2.77Å; Y195-E207 VanDerWaalsContact N-O 3.12Å; Y195-E207 PolarHBondContact O-N 3.27Å; Y195-E207 VanDerWaalsContact O-N 3.07Å; Y195-E207 PolarHBondContact OH-OE2 2.81Å; Y195-D209 HydrophobicContact CD1-CB 4.26Å; Y195-D209 HydrophobicContact CE1-CB 3.94Å; Y195-W255 HydrophobicContact CD1-CB 4.43Å; Y195-W255 HydrophobicContact CD2-CB 4.25Å; Y195-W255 HydrophobicContact CE1-CB 4.04Å; Y195-W255 HydrophobicContact CE2-CB 3.84Å; Y195-W255 HydrophobicContact CE2-CE3 4.3Å
196	K	98.3	Very high	97.8	Very high	123 Å²	123	36.9 Å²	36.9	54%	0.535	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.1	171.8	-174.1	171.6	60.6	171.9	0	110.5	I104 E205 H206	I104-K196 HydrophobicContact CG2-CD 3.51Å; I104-K196 HydrophobicContact CG2-CG 3.99Å; K196-E205 CarbonylContact C-O 3.52Å; K196-E205 WeakPolarHBondContact CA-O 3.44Å; K196-E205 WeakPolarHBondContact CG-O 3.45Å; K196-H206 HydrophobicContact CD-CB 4.49Å; K196-H206 HydrophobicContact CG-CB 4.2Å
197	A	98.1	Very high	97.9	Very high	13 Å²	13	32.8 Å²	32.8	11%	0.107	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	141.4	-179.3	0	0	0	0	0	112.1	F136 Y195 G204 E205 P254	F136-A197 HydrophobicContact CZ-CB 4.1Å; Y195-A197 HydrophobicContact CD2-CB 4.27Å; Y195-A197 HydrophobicContact CE2-CB 4.17Å; A197-G204 CarbonylContact O-C 3.46Å; A197-G204 WeakPolarHBondContact O-CA 3.31Å; A197-E205 PolarHBondContact N-O 3.38Å; A197-E205 PolarHBondContact O-N 3.12Å; A197-P254 HydrophobicContact CB-CB 3.79Å; A197-P254 HydrophobicContact CB-CG 3.94Å
198	Q	97.8	Very high	97.9	Very high	125 Å²	125	32.4 Å²	32.4	58%	0.584	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.6	173.2	-65.7	-174.8	-50.1	0	0	109.9	F136	F136-Q198 WeakPolarHBondContact CE1-O 3.32Å
199	S	96.9	Very high	97.9	Very high	34 Å²	34	30.1 Å²	30.1	24%	0.238	17%	0.169	C	C	.	.	S	Bend	trans	-84.2	-50.6	171.5	178.9	0	0	0	0	110.2	F136 W203	F136-S199 VanDerWaalsContact CE1-CA 3.48Å; F136-S199 PolarHBondContact N-OG 3.26Å; S199-W203 WeakPolarHBondContact CB-O 3.21Å; S199-W203 PolarHBondContact N-O 3Å
200	D	95.6	Very high	98	Very high	77 Å²	77	29.9 Å²	29.9	41%	0.412	17%	0.168	S	C	.	.	S	Bend	trans	-149.2	-161.4	176.2	63.6	28.2	0	0	0	110.2	N101 V202 W203	N101-D200 PolarHBondContact ND2-O 3.15Å; D200-V202 PolarHBondContact O-N 2.9Å; D200-V202 WeakPolarHBondContact OD1-CA 3.42Å; D200-V202 PolarHBondContact OD1-N 3.03Å; D200-W203 PolarHBondContact N-O 2.74Å; D200-W203 PolarHBondContact OD1-N 3.09Å
201	G	94.3	Very high	98	Very high	77 Å²	77	29.9 Å²	29.9	79%	0.794	17%	0.168	S	C	*	.	S	Bend	trans	-67	-14.3	178.8	0	0	0	0	0	115.1
202	V	95.9	Very high	98	Very high	57 Å²	57	29.9 Å²	29.9	35%	0.345	17%	0.168	S	C	.	.	S	Bend	trans	-115.2	-45.4	-174.2	178.8	0	0	0	0	111.5	I63 L100 N101 D200	I63-V202 HydrophobicContact CD1-CG1 3.62Å; I63-V202 HydrophobicContact CG1-CG1 4.37Å; I63-V202 HydrophobicContact CG2-CG1 4.24Å; L100-V202 HydrophobicContact CD2-CG1 3.84Å; N101-V202 WeakPolarHBondContact CB-O 3.41Å; N101-V202 PolarHBondContact N-O 2.74Å; N101-V202 VanDerWaalsContact ND2-C 3.34Å; N101-V202 PolarHBondContact ND2-O 3.07Å; D200-V202 PolarHBondContact O-N 2.9Å; D200-V202 WeakPolarHBondContact OD1-CA 3.42Å; D200-V202 PolarHBondContact OD1-N 3.03Å
203	W	97.8	Very high	98	Very high	10 Å²	10	28.7 Å²	28.7	4%	0.038	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-107.9	149.8	-169.7	-57.1	100.4	0	0	0	112.7	L68 L76 K96 H99 L100 N101 I134 T135 S199 D200	L68-W203 HydrophobicContact CD1-CZ2 4.33Å; L76-W203 HydrophobicContact CD1-CH2 3.94Å; L76-W203 HydrophobicContact CD2-CH2 4.17Å; L76-W203 HydrophobicContact CD2-CZ3 4.2Å; K96-W203 HydrophobicContact CG-CH2 4.05Å; K96-W203 HydrophobicContact CG-CZ3 4.33Å; H99-W203 HydrophobicContact CB-CE3 3.94Å; H99-W203 HydrophobicContact CB-CZ3 4.29Å; H99-W203 CarbonylContact O-C 3.55Å; H99-W203 VanDerWaalsContact O-CA 3.27Å; H99-W203 WeakPolarHBondContact O-CA 3.38Å; L100-W203 HydrophobicContact CD2-CD2 4.27Å; L100-W203 HydrophobicContact CD2-CE3 3.91Å; L100-W203 HydrophobicContact CD2-CH2 4.04Å; L100-W203 HydrophobicContact CD2-CZ2 4.36Å; L100-W203 HydrophobicContact CD2-CZ3 3.79Å; L100-W203 HydrophobicContact CG-CZ3 4.3Å; N101-W203 PolarHBondContact ND2-N 3.29Å; N101-W203 PolarHBondContact ND2-O 3.45Å; N101-W203 PolarHBondContact OD1-O 3.16Å; I134-W203 HydrophobicContact CG2-CD2 3.48Å; I134-W203 VanDerWaalsContact CG2-CD2 3.48Å; I134-W203 VanDerWaalsContact CG2-CE2 3.43Å; I134-W203 HydrophobicContact CG2-CE3 3.86Å; I134-W203 HydrophobicContact CG2-CG 3.87Å; I134-W203 HydrophobicContact CG2-CH2 4.13Å; I134-W203 HydrophobicContact CG2-CZ2 3.79Å; I134-W203 HydrophobicContact CG2-CZ3 4.17Å; T135-W203 HydrophobicContact CG2-CB 3.95Å; S199-W203 WeakPolarHBondContact CB-O 3.21Å; S199-W203 PolarHBondContact N-O 3Å; D200-W203 PolarHBondContact N-O 2.74Å; D200-W203 PolarHBondContact OD1-N 3.09Å
204	G	98.3	Very high	98	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	-173.4	177.7	0	0	0	0	0	112.3	H99 N101 A197	H99-G204 WeakPolarHBondContact CA-O 3.25Å; H99-G204 WeakPolarHBondContact CB-O 3.49Å; H99-G204 PolarHBondContact O-N 2.95Å; N101-G204 WeakPolarHBondContact OD1-CA 3.15Å; N101-G204 PolarHBondContact OD1-N 3.33Å; A197-G204 CarbonylContact O-C 3.46Å; A197-G204 WeakPolarHBondContact O-CA 3.31Å
205	E	98.5	Very high	97.9	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.1	-179.8	-62.3	-69.3	175.7	0	0	109	H99 H110 T135 F136 Y195 K196 A197 E207	H99-E205 IonicContact CD2-OE1 3.56Å; H99-E205 PolarHBondContact CD2-OE1 2.93Å; H99-E205 VanDerWaalsContact CD2-OE1 3.25Å; H99-E205 IonicContact CD2-OE2 2.53Å; H99-E205 PolarHBondContact CD2-OE2 2.93Å; H99-E205 IonicContact NE2-OE1 3.34Å; H99-E205 IonicContact NE2-OE2 3.58Å; H99-E205 PolarHBondContact NE2-OE2 3.42Å; H99-E205 VanDerWaalsContact NE2-OE2 3.11Å; H110-E205 IonicContact CE1-OE2 2.71Å; H110-E205 IonicContact NE2-OE2 2.88Å; T135-E205 PolarHBondContact OG1-OE1 2.93Å; F136-E205 HydrophobicContact CE2-CG 3.71Å; Y195-E205 HydrophobicContact CE2-CB 3.94Å; K196-E205 CarbonylContact C-O 3.52Å; K196-E205 WeakPolarHBondContact CA-O 3.44Å; K196-E205 WeakPolarHBondContact CG-O 3.45Å; A197-E205 PolarHBondContact N-O 3.38Å; A197-E205 PolarHBondContact O-N 3.12Å; E205-E207 HydrophobicContact CB-CG 4.32Å; E205-E207 VanDerWaalsContact OE2-OE1 3.06Å
206	H	98.8	Very high	97.9	Very high	21 Å²	21	34.6 Å²	34.6	10%	0.097	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	103.3	171	-175.9	-149.4	0	0	0	107.4	I104 L108 L109 H110 H194 K196	I104-H206 HydrophobicContact CB-CB 4.3Å; I104-H206 HydrophobicContact CD1-CB 4.29Å; I104-H206 HydrophobicContact CG1-CB 3.93Å; I104-H206 HydrophobicContact CG2-CB 3.62Å; L108-H206 PolarHBondContact O-ND1 2.85Å; L109-H206 WeakPolarHBondContact CD1-O 3.5Å; H110-H206 PolarHBondContact CE1-O 3.16Å; H110-H206 PolarHBondContact N-O 3.08Å; H110-H206 PolarHBondContact ND1-O 3.43Å; H194-H206 AromaticContact CE1-NE2 3.99Å; H194-H206 AromaticContact NE2-CD2 3.52Å; H194-H206 AromaticContact NE2-NE2 3.14Å; H194-H206 PolarHBondContact NE2-NE2 2.82Å; H194-H206 VanDerWaalsContact NE2-NE2 3.14Å; K196-H206 HydrophobicContact CD-CB 4.49Å; K196-H206 HydrophobicContact CG-CB 4.2Å
207	E	98.8	Very high	97.9	Very high	8 Å²	8	33 Å²	33	4%	0.037	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147	-159.5	-54.1	-167.8	131.9	0	0	112.2	H110 A112 H147 H194 Y195 E205	H110-E207 IonicContact CD2-OE1 3.05Å; H110-E207 IonicContact CE1-OE1 3.25Å; H110-E207 WeakPolarHBondContact NE2-CG 3.24Å; H110-E207 IonicContact NE2-OE1 3.55Å; H110-E207 PolarHBondContact NE2-OE1 3.33Å; H110-E207 WeakPolarHBondContact O-CA 3.43Å; A112-E207 HydrophobicContact CB-CB 3.87Å; A112-E207 HydrophobicContact CB-CG 4Å; A112-E207 VanDerWaalsContact CB-OE1 3.31Å; A112-E207 WeakPolarHBondContact CB-OE1 3.18Å; A112-E207 VanDerWaalsContact CB-OE2 3.29Å; A112-E207 WeakPolarHBondContact CB-OE2 3.22Å; H147-E207 IonicContact CD2-OE1 3.81Å; H147-E207 PolarHBondContact CD2-OE1 3.15Å; H147-E207 IonicContact CE1-OE1 3.4Å; H147-E207 IonicContact NE2-OE1 3.26Å; H147-E207 PolarHBondContact NE2-OE1 3.18Å; H194-E207 VanDerWaalsContact CA-O 3.29Å; H194-E207 WeakPolarHBondContact CA-O 3.47Å; H194-E207 PolarHBondContact CD2-O 3.19Å; Y195-E207 HydrophobicContact CD1-CB 4.39Å; Y195-E207 HydrophobicContact CE1-CB 3.82Å; Y195-E207 HydrophobicContact CE1-CG 4.31Å; Y195-E207 WeakPolarHBondContact CE1-OE2 3.3Å; Y195-E207 VanDerWaalsContact CZ-OE2 3.31Å; Y195-E207 PolarHBondContact N-O 2.77Å; Y195-E207 VanDerWaalsContact N-O 3.12Å; Y195-E207 PolarHBondContact O-N 3.27Å; Y195-E207 VanDerWaalsContact O-N 3.07Å; Y195-E207 PolarHBondContact OH-OE2 2.81Å; E205-E207 HydrophobicContact CB-CG 4.32Å; E205-E207 VanDerWaalsContact OE2-OE1 3.06Å
208	I	98.9	Very high	97.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	107.5	151.6	-59.6	-178.4	0	0	0	107.2	I83 D87 L109 H110 A112 R192 H194 I283	I83-I208 HydrophobicContact CD1-CB 3.58Å; I83-I208 HydrophobicContact CD1-CD1 3.81Å; I83-I208 HydrophobicContact CD1-CG1 3.75Å; D87-I208 HydrophobicContact CB-CD1 3.86Å; D87-I208 HydrophobicContact CB-CG2 4.22Å; L109-I208 HydrophobicContact CD1-CG1 4.3Å; L109-I208 HydrophobicContact CD2-CD1 4.1Å; L109-I208 HydrophobicContact CD2-CG1 4.15Å; H110-I208 PolarHBondContact O-N 3.4Å; A112-I208 PolarHBondContact N-O 2.84Å; R192-I208 HydrophobicContact CB-CG2 3.84Å; R192-I208 HydrophobicContact CG-CG2 4.11Å; H194-I208 HydrophobicContact CB-CG1 4.15Å; I208-I283 HydrophobicContact CD1-CD1 4.08Å; I208-I283 HydrophobicContact CG2-CG2 4.17Å
209	D	98.8	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.7	-169.6	-171.8	16.7	0	0	0	111.6	F113 S114 R192 I193 Y195	F113-D209 WeakPolarHBondContact CA-OD1 3.32Å; F113-D209 PolarHBondContact N-OD1 2.98Å; S114-D209 VanDerWaalsContact CB-OD2 3.23Å; S114-D209 WeakPolarHBondContact CB-OD2 3.5Å; S114-D209 PolarHBondContact N-OD1 2.75Å; S114-D209 PolarHBondContact OG-OD2 2.65Å; R192-D209 CarbonylContact C-O 3.43Å; R192-D209 VanDerWaalsContact CA-O 3.23Å; R192-D209 WeakPolarHBondContact CA-O 3.39Å; I193-D209 PolarHBondContact N-O 2.78Å; I193-D209 WeakPolarHBondContact O-CB 2.95Å; I193-D209 PolarHBondContact O-N 3.28Å; Y195-D209 HydrophobicContact CD1-CB 4.26Å; Y195-D209 HydrophobicContact CE1-CB 3.94Å
210	Y	98.9	Very high	98	Very high	15 Å²	15	34.3 Å²	34.3	6%	0.059	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.8	176.1	-81.8	-115.3	0	0	0	110.7	D87 R111 A112 F113 S114 A160 V163 Y189 R192 L212	D87-Y210 VanDerWaalsContact OD2-CE2 3.28Å; D87-Y210 WeakPolarHBondContact OD2-CE2 3.33Å; D87-Y210 VanDerWaalsContact OD2-CZ 3.25Å; D87-Y210 PolarHBondContact OD2-OH 3.22Å; R111-Y210 HydrophobicContact CG-CD2 4.01Å; R111-Y210 HydrophobicContact CG-CE2 3.73Å; A112-Y210 WeakPolarHBondContact O-CD2 3.48Å; A112-Y210 PolarHBondContact O-N 3.04Å; F113-Y210 VanDerWaalsContact CA-O 3.31Å; F113-Y210 WeakPolarHBondContact CA-O 3.36Å; S114-Y210 PolarHBondContact N-O 2.87Å; A160-Y210 HydrophobicContact CB-CD1 4.07Å; A160-Y210 HydrophobicContact CB-CE1 3.87Å; V163-Y210 HydrophobicContact CB-CD1 4.3Å; V163-Y210 HydrophobicContact CB-CG 4.44Å; V163-Y210 HydrophobicContact CG1-CD1 4.12Å; V163-Y210 HydrophobicContact CG1-CG 3.93Å; V163-Y210 HydrophobicContact CG2-CD1 4.1Å; V163-Y210 HydrophobicContact CG2-CD2 4.24Å; V163-Y210 HydrophobicContact CG2-CE1 4.24Å; V163-Y210 HydrophobicContact CG2-CE2 4.39Å; V163-Y210 HydrophobicContact CG2-CG 4.1Å; Y189-Y210 AromaticContact CD2-CD1 3.72Å; Y189-Y210 HydrophobicContact CD2-CD1 3.72Å; Y189-Y210 HydrophobicContact CD2-CE1 4.45Å; Y189-Y210 HydrophobicContact CE1-CD1 4.35Å; Y189-Y210 HydrophobicContact CE1-CE1 4.15Å; Y189-Y210 AromaticContact CE2-CD1 3.33Å; Y189-Y210 HydrophobicContact CE2-CD1 3.33Å; Y189-Y210 AromaticContact CE2-CE1 3.83Å; Y189-Y210 HydrophobicContact CE2-CE1 3.83Å; Y189-Y210 HydrophobicContact CE2-CG 4.11Å; Y189-Y210 HydrophobicContact CG-CD1 4.39Å; Y189-Y210 AromaticContact CZ-CD1 3.71Å; Y189-Y210 AromaticContact CZ-CE1 3.68Å; R192-Y210 HydrophobicContact CG-CD1 4.27Å; R192-Y210 HydrophobicContact CG-CD2 3.9Å; R192-Y210 HydrophobicContact CG-CE1 4.29Å; R192-Y210 HydrophobicContact CG-CE2 3.9Å; R192-Y210 HydrophobicContact CG-CG 4.08Å; Y210-L212 PolarHBondContact O-N 3.31Å
211	I	98.8	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.5	-179.8	-51.5	-51.3	0	0	0	109.6	F116 L190 T191 I193 F213 I259 W267	F116-I211 HydrophobicContact CD2-CG2 4.09Å; F116-I211 HydrophobicContact CE2-CG2 4.03Å; L190-I211 HydrophobicContact CB-CB 4.46Å; L190-I211 HydrophobicContact CB-CG2 4.41Å; L190-I211 PolarHBondContact N-O 3.22Å; T191-I211 HydrophobicContact CG2-CB 4.33Å; T191-I211 HydrophobicContact CG2-CG1 4.08Å; T191-I211 PolarHBondContact O-N 3.27Å; I193-I211 HydrophobicContact CD1-CD1 3.89Å; I193-I211 HydrophobicContact CD1-CG1 3.94Å; I193-I211 HydrophobicContact CG1-CD1 4.22Å; I193-I211 HydrophobicContact CG1-CG1 4.06Å; I211-F213 HydrophobicContact CG2-CD2 3.98Å; I211-F213 HydrophobicContact CG2-CE2 3.63Å; I211-I259 HydrophobicContact CD1-CD1 3.88Å; I211-W267 HydrophobicContact CG1-CH2 4.45Å; I211-W267 HydrophobicContact CG2-CH2 4.01Å; I211-W267 HydrophobicContact CG2-CZ3 3.81Å
212	L	98.9	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.1	-178.4	-56.9	-179.3	0	0	0	110.6	F113 S114 V115 F116 V163 R164 A167 M187 T188 Y189 Y210	F113-L212 HydrophobicContact CB-CD1 4.2Å; F113-L212 HydrophobicContact CD2-CD1 4.33Å; F113-L212 HydrophobicContact CG-CD1 4.4Å; S114-L212 PolarHBondContact O-N 3.33Å; V115-L212 CarbonylContact C-O 3.33Å; V115-L212 WeakPolarHBondContact CA-O 3.36Å; V115-L212 HydrophobicContact CG2-CB 4.32Å; V115-L212 HydrophobicContact CG2-CD1 4.25Å; F116-L212 PolarHBondContact N-O 2.78Å; V163-L212 HydrophobicContact CG1-CD1 4.1Å; V163-L212 HydrophobicContact CG1-CD2 4.49Å; R164-L212 HydrophobicContact CG-CD1 4.47Å; R164-L212 HydrophobicContact CG-CD2 4.04Å; A167-L212 HydrophobicContact CB-CD1 3.42Å; A167-L212 VanDerWaalsContact CB-CD1 3.42Å; M187-L212 HydrophobicContact SD-CD1 4.41Å; T188-L212 CarbonylContact O-C 3.55Å; T188-L212 WeakPolarHBondContact O-CA 3.33Å; Y189-L212 HydrophobicContact CD2-CD2 4.3Å; Y210-L212 PolarHBondContact O-N 3.31Å
213	F	98.6	Very high	98.5	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	145.4	176.6	-87.8	-117.4	0	0	0	111.3	F116 F118 T188 L190 I211 L264 W267 L271 L274	F116-F213 HydrophobicContact CB-CD1 4.26Å; F116-F213 HydrophobicContact CB-CD2 4.03Å; F116-F213 HydrophobicContact CB-CE1 4.08Å; F116-F213 HydrophobicContact CB-CE2 3.8Å; F116-F213 HydrophobicContact CB-CG 4.24Å; F116-F213 HydrophobicContact CB-CZ 3.81Å; F116-F213 HydrophobicContact CD1-CZ 4.49Å; F116-F213 HydrophobicContact CD2-CD2 4.25Å; F116-F213 AromaticContact CD2-CE2 3.7Å; F116-F213 HydrophobicContact CD2-CE2 3.7Å; F116-F213 HydrophobicContact CD2-CZ 4.25Å; F116-F213 HydrophobicContact CG-CD2 4.43Å; F116-F213 AromaticContact CG-CE2 3.83Å; F116-F213 HydrophobicContact CG-CE2 3.83Å; F116-F213 AromaticContact CG-CZ 3.94Å; F116-F213 HydrophobicContact CG-CZ 3.94Å; F116-F213 WeakPolarHBondContact O-CA 3.48Å; F118-F213 HydrophobicContact CD2-CD1 4.18Å; F118-F213 HydrophobicContact CD2-CE1 4.36Å; F118-F213 AromaticContact CE2-CD1 3.52Å; F118-F213 HydrophobicContact CE2-CD1 3.52Å; F118-F213 AromaticContact CE2-CE1 3.32Å; F118-F213 HydrophobicContact CE2-CE1 3.32Å; F118-F213 HydrophobicContact CE2-CZ 4.25Å; F118-F213 HydrophobicContact CZ-CD1 4.43Å; F118-F213 AromaticContact CZ-CE1 3.82Å; F118-F213 HydrophobicContact CZ-CE1 3.82Å; T188-F213 PolarHBondContact N-O 2.99Å; T188-F213 PolarHBondContact O-N 3.34Å; L190-F213 HydrophobicContact CD1-CB 3.8Å; L190-F213 HydrophobicContact CD1-CD2 3.8Å; L190-F213 HydrophobicContact CD1-CG 3.93Å; L190-F213 HydrophobicContact CD2-CD2 3.71Å; L190-F213 HydrophobicContact CD2-CE2 3.8Å; L190-F213 HydrophobicContact CD2-CG 4.22Å; L190-F213 HydrophobicContact CD2-CZ 4.36Å; L190-F213 HydrophobicContact CG-CD2 4.29Å; I211-F213 HydrophobicContact CG2-CD2 3.98Å; I211-F213 HydrophobicContact CG2-CE2 3.63Å; F213-L264 HydrophobicContact CZ-CD1 4.04Å; F213-W267 HydrophobicContact CE1-CB 4.17Å; F213-W267 HydrophobicContact CE2-CD2 4.48Å; F213-W267 AromaticContact CE2-CE3 3.76Å; F213-W267 HydrophobicContact CE2-CE3 3.76Å; F213-W267 HydrophobicContact CE2-CZ3 4.13Å; F213-W267 HydrophobicContact CZ-CB 4.04Å; F213-W267 HydrophobicContact CZ-CD2 4.25Å; F213-W267 AromaticContact CZ-CE3 3.61Å; F213-W267 HydrophobicContact CZ-CE3 3.61Å; F213-W267 HydrophobicContact CZ-CG 4.49Å; F213-W267 HydrophobicContact CZ-CZ3 4.37Å; F213-L271 HydrophobicContact CD1-CD2 4.1Å; F213-L271 HydrophobicContact CE1-CD2 4.07Å; F213-L274 HydrophobicContact CB-CD1 3.69Å; F213-L274 HydrophobicContact CD1-CD1 3.66Å; F213-L274 HydrophobicContact CD1-CD2 4.28Å; F213-L274 HydrophobicContact CE1-CD2 4.48Å; F213-L274 HydrophobicContact CG-CD1 3.91Å
214	M	98.1	Very high	98.5	Very high	9 Å²	9	36.7 Å²	36.7	4%	0.044	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	141.9	171.3	-172.1	162.6	-177.6	0	0	109.6	F116 L117 F118 Q181 V182 E186 M187 K216	F116-M214 PolarHBondContact O-N 3.07Å; L117-M214 CarbonylContact C-O 3.18Å; L117-M214 WeakPolarHBondContact CA-O 3.31Å; F118-M214 PolarHBondContact N-O 3.3Å; Q181-M214 WeakPolarHBondContact O-CE 3.45Å; V182-M214 HydrophobicContact CB-CE 4.34Å; V182-M214 HydrophobicContact CB-SD 4.18Å; V182-M214 HydrophobicContact CG1-CE 4.02Å; V182-M214 HydrophobicContact CG1-SD 3.86Å; E186-M214 HydrophobicContact CB-CE 3.73Å; E186-M214 VanDerWaalsContact OE2-CE 3.29Å; E186-M214 WeakPolarHBondContact OE2-CE 3.48Å; M187-M214 HydrophobicContact CE-SD 4.48Å; M187-M214 HydrophobicContact CG-SD 4.04Å; M214-K216 HydrophobicContact CE-CB 4.06Å; M214-K216 HydrophobicContact CE-CD 3.47Å; M214-K216 VanDerWaalsContact CE-CD 3.47Å; M214-K216 HydrophobicContact CE-CG 4.44Å; M214-K216 HydrophobicContact CG-CB 4.46Å
215	Q	98	Very high	98.5	Very high	91 Å²	91	37.9 Å²	37.9	43%	0.425	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108	172	-173.3	174.4	14.2	0	0	109.5	F118 N119	F118-Q215 HydrophobicContact CB-CB 4.36Å; F118-Q215 HydrophobicContact CB-CG 4.07Å; F118-Q215 CarbonylContact O-C 3.26Å; F118-Q215 WeakPolarHBondContact O-CA 3.47Å; N119-Q215 PolarHBondContact O-NE2 2.78Å
216	K	97.3	Very high	98.5	Very high	55 Å²	55	37.6 Å²	37.6	24%	0.239	21%	0.205	C	C	.	.			trans	-164.1	144.3	-177.4	-158.7	170.6	-174.1	164.1	0	111.3	F118 Q181 E186 M214 V218	F118-K216 PolarHBondContact O-N 3.11Å; Q181-K216 WeakPolarHBondContact O-CD 3.33Å; Q181-K216 WeakPolarHBondContact O-CE 3.36Å; Q181-K216 PolarHBondContact O-NZ 3.05Å; E186-K216 IonicContact OE1-NZ 3.4Å; E186-K216 PolarHBondContact OE1-NZ 3.37Å; E186-K216 IonicContact OE2-NZ 2.77Å; E186-K216 PolarHBondContact OE2-NZ 3.1Å; M214-K216 HydrophobicContact CE-CB 4.06Å; M214-K216 HydrophobicContact CE-CD 3.47Å; M214-K216 VanDerWaalsContact CE-CD 3.47Å; M214-K216 HydrophobicContact CE-CG 4.44Å; M214-K216 HydrophobicContact CG-CB 4.46Å; K216-V218 HydrophobicContact CB-CG1 4.34Å; K216-V218 HydrophobicContact CG-CG1 4.49Å
217	D	98.6	Very high	98.5	Very high	90 Å²	90	36.9 Å²	36.9	48%	0.481	20%	0.201	S	C	.	.			trans	-77.3	126.5	165.8	-61.2	-38	0	0	0	109	N119 S120	N119-D217 VanDerWaalsContact CB-OD1 3.31Å; N119-D217 WeakPolarHBondContact CB-OD1 3.3Å; S120-D217 WeakPolarHBondContact CB-OD1 3.48Å; S120-D217 WeakPolarHBondContact CB-OD2 3.5Å; S120-D217 PolarHBondContact N-OD1 3.25Å; S120-D217 PolarHBondContact OG-OD1 3.21Å; S120-D217 PolarHBondContact OG-OD2 3.16Å
218	V	98.5	Very high	98.5	Very high	22 Å²	22	41.6 Å²	41.6	13%	0.133	22%	0.222	C	C	.	.			trans	-128.7	151.6	-176.1	-63.5	0	0	0	0	112	L117 I177 Q181 V182 K216 L220	L117-V218 HydrophobicContact CD1-CG1 4.11Å; L117-V218 HydrophobicContact CD1-CG2 4.05Å; L117-V218 HydrophobicContact CD2-CG2 4.07Å; I177-V218 HydrophobicContact CD1-CB 4.41Å; I177-V218 HydrophobicContact CD1-CG2 3.92Å; I177-V218 HydrophobicContact CG1-CB 4.32Å; I177-V218 HydrophobicContact CG1-CG2 4.15Å; I177-V218 HydrophobicContact CG2-CB 4.02Å; I177-V218 HydrophobicContact CG2-CG1 4.12Å; Q181-V218 HydrophobicContact CB-CG1 4.43Å; Q181-V218 VanDerWaalsContact OE1-CA 3.26Å; V182-V218 HydrophobicContact CG1-CG1 4.14Å; K216-V218 HydrophobicContact CB-CG1 4.34Å; K216-V218 HydrophobicContact CG-CG1 4.49Å; V218-L220 HydrophobicContact CG2-CD2 3.92Å; V218-L220 HydrophobicContact CG2-CG 4.5Å
219	E	98.5	Very high	98.5	Very high	130 Å²	130	43.6 Å²	43.6	61%	0.607	24%	0.235	S	C	*	.			trans	-81.2	137.1	170.1	-65.5	178.1	169.2	0	0	110.3	I177 Q181	I177-E219 WeakPolarHBondContact CG1-O 3.15Å; Q181-E219 PolarHBondContact NE2-OE2 2.84Å
220	L	98.8	Very high	98.5	Very high	48 Å²	48	47.3 Å²	47.3	25%	0.251	25%	0.253	S	S	.	.			trans	-117.9	128.7	-177.4	-59.9	178.3	0	0	0	110.7	L125 L175 I177 V218 P222 H230 Y232	L125-L220 HydrophobicContact CD1-CD1 4.01Å; L125-L220 HydrophobicContact CD2-CD1 4.05Å; L125-L220 HydrophobicContact CD2-CD2 3.89Å; L175-L220 HydrophobicContact CB-CD2 4.13Å; L175-L220 HydrophobicContact CD2-CD2 4.3Å; I177-L220 HydrophobicContact CD1-CD2 3.93Å; I177-L220 HydrophobicContact CG1-CD2 3.69Å; V218-L220 HydrophobicContact CG2-CD2 3.92Å; V218-L220 HydrophobicContact CG2-CG 4.5Å; L220-P222 HydrophobicContact CB-CG 4.42Å; L220-H230 VanDerWaalsContact CD1-CD2 3.42Å; L220-H230 WeakPolarHBondContact CD1-CD2 3.43Å; L220-Y232 HydrophobicContact CD1-CE2 4.17Å
221	S	98.6	Very high	98.4	Very high	91 Å²	91	48.7 Å²	48.7	64%	0.636	26%	0.264	S	S	*	.			trans	-138	69.9	167.8	-163.8	0	0	0	0	109.3	L175 G176	L175-S221 CarbonylContact O-C 3.56Å; L175-S221 VanDerWaalsContact O-C 3.26Å; L175-S221 PolarHBondContact O-N 2.74Å; G176-S221 VanDerWaalsContact CA-O 3.31Å; G176-S221 WeakPolarHBondContact CA-O 3.4Å
222	P	98.6	Very high	98.4	Very high	36 Å²	36	51.7 Å²	51.7	23%	0.234	28%	0.276	C	S	.	.			trans	-65.7	145	-169	-21.7	35.1	0	0	0	113.1	E174 L175 L220 P224 I227	E174-P222 CarbonylContact O-C 3.54Å; E174-P222 VanDerWaalsContact O-CA 3.26Å; E174-P222 WeakPolarHBondContact O-CA 3.37Å; L175-P222 HydrophobicContact CD2-CG 4.24Å; L220-P222 HydrophobicContact CB-CG 4.42Å; P222-P224 WeakPolarHBondContact O-CD 3.26Å; P222-I227 HydrophobicContact CB-CB 4.1Å; P222-I227 HydrophobicContact CB-CD1 4.3Å; P222-I227 HydrophobicContact CB-CG2 4.2Å
223	D	98.6	Very high	98.4	Very high	37 Å²	37	52 Å²	52	20%	0.198	28%	0.278	C	S	.	.			trans	-76.3	118	171.8	-176.4	-14	0	0	0	109.8	K71 E174 N225 E226 I227	K71-D223 IonicContact NZ-OD2 2.82Å; K71-D223 PolarHBondContact NZ-OD2 3.43Å; E174-D223 PolarHBondContact O-N 2.96Å; D223-N225 PolarHBondContact O-N 2.85Å; D223-N225 VanDerWaalsContact O-N 3.13Å; D223-N225 VanDerWaalsContact OD1-CB 3.29Å; D223-N225 WeakPolarHBondContact OD1-CB 3.48Å; D223-N225 PolarHBondContact OD1-N 3.2Å; D223-E226 HydrophobicContact CB-CB 4.34Å; D223-E226 HydrophobicContact CB-CG 4.28Å; D223-E226 PolarHBondContact O-N 2.85Å; D223-I227 PolarHBondContact O-N 3.36Å
224	P	98.1	Very high	98.5	Very high	107 Å²	107	53.1 Å²	53.1	70%	0.695	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.8	-179.8	27	-35.8	0	0	0	113.9	S130 P222 E226 I227	S130-P224 WeakPolarHBondContact CB-O 3.43Å; P222-P224 WeakPolarHBondContact O-CD 3.26Å; P224-E226 VanDerWaalsContact C-N 3.3Å; P224-I227 WeakPolarHBondContact CA-O 3.46Å
225	N	97.8	Very high	98.5	Very high	25 Å²	25	54.4 Å²	54.4	13%	0.134	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-23	172.7	-172.7	-97.1	0	0	0	112.4	D69 K71 Q72 S130 D223	D69-N225 PolarHBondContact OD1-ND2 2.76Å; D69-N225 PolarHBondContact OD2-ND2 2.78Å; K71-N225 HydrophobicContact CD-CB 4.27Å; K71-N225 WeakPolarHBondContact CD-OD1 3.37Å; Q72-N225 PolarHBondContact NE2-OD1 3.15Å; S130-N225 WeakPolarHBondContact CB-O 3.16Å; S130-N225 PolarHBondContact OG-O 2.78Å; D223-N225 PolarHBondContact O-N 2.85Å; D223-N225 VanDerWaalsContact O-N 3.13Å; D223-N225 VanDerWaalsContact OD1-CB 3.29Å; D223-N225 WeakPolarHBondContact OD1-CB 3.48Å; D223-N225 PolarHBondContact OD1-N 3.2Å
226	E	98.4	Very high	98.5	Very high	3 Å²	3	56 Å²	56	1%	0.014	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-40.8	178.3	-64.3	-75.4	-156.1	0	0	111.5	Q72 S130 K133 R170 E174 D223 P224	Q72-E226 VanDerWaalsContact NE2-CD 3.33Å; Q72-E226 PolarHBondContact NE2-OE2 3.17Å; S130-E226 WeakPolarHBondContact CB-O 3.31Å; S130-E226 PolarHBondContact N-O 3.42Å; K133-E226 VanDerWaalsContact CD-OE2 3.31Å; K133-E226 WeakPolarHBondContact CD-OE2 3.4Å; K133-E226 WeakPolarHBondContact CE-OE2 3.16Å; K133-E226 IonicContact NZ-OE2 3.34Å; K133-E226 PolarHBondContact NZ-OE2 2.97Å; R170-E226 IonicContact CZ-OE1 3.04Å; R170-E226 IonicContact NH1-OE1 2.84Å; R170-E226 PolarHBondContact NH1-OE1 3.45Å; R170-E226 IonicContact NH2-OE1 2.81Å; R170-E226 PolarHBondContact NH2-OE1 2.76Å; R170-E226 IonicContact NH2-OE2 3.7Å; E174-E226 HydrophobicContact CB-CB 4.2Å; E174-E226 HydrophobicContact CG-CB 4.08Å; E174-E226 HydrophobicContact CG-CG 4.07Å; D223-E226 HydrophobicContact CB-CB 4.34Å; D223-E226 HydrophobicContact CB-CG 4.28Å; D223-E226 PolarHBondContact O-N 2.85Å; P224-E226 VanDerWaalsContact C-N 3.3Å
227	I	98.7	Very high	98.6	Very high	6 Å²	6	58 Å²	58	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122.1	-168.6	-62	-174.6	0	0	0	111	Q127 Q128 E174 L175 P222 D223 P224 S229	Q127-I227 HydrophobicContact CB-CD1 3.96Å; Q127-I227 HydrophobicContact CB-CG1 4.33Å; Q127-I227 HydrophobicContact CB-CG2 4.14Å; Q127-I227 HydrophobicContact CG-CD1 4.32Å; Q128-I227 CarbonylContact O-C 3.58Å; E174-I227 HydrophobicContact CB-CD1 4Å; E174-I227 HydrophobicContact CB-CG1 4.47Å; E174-I227 WeakPolarHBondContact O-CD1 3.5Å; L175-I227 HydrophobicContact CD2-CD1 3.28Å; L175-I227 HydrophobicContact CG-CD1 3.59Å; P222-I227 HydrophobicContact CB-CB 4.1Å; P222-I227 HydrophobicContact CB-CD1 4.3Å; P222-I227 HydrophobicContact CB-CG2 4.2Å; D223-I227 PolarHBondContact O-N 3.36Å; P224-I227 WeakPolarHBondContact CA-O 3.46Å; I227-S229 WeakPolarHBondContact CG2-O 3.49Å
228	K	98.6	Very high	98.6	Very high	107 Å²	107	53.8 Å²	53.8	47%	0.465	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-44.8	175.1	-172.6	165.7	-177.8	162.6	0	112.5	Q128 D131	Q128-K228 HydrophobicContact CB-CB 4.26Å; Q128-K228 HydrophobicContact CG-CB 4.17Å; Q128-K228 HydrophobicContact CG-CD 4.43Å; Q128-K228 PolarHBondContact O-N 3.41Å; D131-K228 VanDerWaalsContact CG-NZ 3.26Å; D131-K228 IonicContact OD1-NZ 3.82Å; D131-K228 PolarHBondContact OD1-NZ 2.83Å; D131-K228 IonicContact OD2-NZ 3.4Å; D131-K228 PolarHBondContact OD2-NZ 3.36Å
229	S	98.7	Very high	98.6	Very high	41 Å²	41	57.5 Å²	57.5	29%	0.287	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	165.3	-179.9	73.4	0	0	0	0	109.9	Q128 I227	Q128-S229 WeakPolarHBondContact CB-OG 3.21Å; Q128-S229 PolarHBondContact N-O 2.92Å; Q128-S229 PolarHBondContact OE1-OG 3.22Å; I227-S229 WeakPolarHBondContact CG2-O 3.49Å
230	H	98.8	Very high	98.6	Very high	78 Å²	78	53.2 Å²	53.2	36%	0.361	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153.8	175.4	61.3	-80.4	0	0	0	109.6	L125 L126 L220	L125-H230 HydrophobicContact CD1-CB 4.25Å; L126-H230 VanDerWaalsContact O-CA 3.24Å; L126-H230 WeakPolarHBondContact O-CA 3.38Å; L126-H230 WeakPolarHBondContact O-CB 3.44Å; L220-H230 VanDerWaalsContact CD1-CD2 3.42Å; L220-H230 WeakPolarHBondContact CD1-CD2 3.43Å
231	C	98.5	Very high	98.5	Very high	44 Å²	44	52.4 Å²	52.4	30%	0.297	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	147.7	176.1	55.6	0	0	0	0	111.2	L126 V233	L126-C231 PolarHBondContact N-O 2.87Å; L126-C231 PolarHBondContact O-N 2.99Å; C231-V233 HydrophobicContact CB-CG1 4.45Å
232	Y	98.9	Very high	98.5	Very high	63 Å²	63	48.7 Å²	48.7	25%	0.247	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.3	163.1	-77.4	-79.5	0	0	0	108.7	L117 N119 K123 L124 L125 L220	L117-Y232 HydrophobicContact CD2-CE1 4.21Å; N119-Y232 HydrophobicContact CB-CD1 3.97Å; N119-Y232 HydrophobicContact CB-CE1 3.59Å; K123-Y232 HydrophobicContact CB-CD1 4.2Å; K123-Y232 HydrophobicContact CB-CG 4.49Å; K123-Y232 WeakPolarHBondContact O-CD1 3.33Å; L124-Y232 CarbonylContact O-C 3.54Å; L124-Y232 WeakPolarHBondContact O-CA 3.38Å; L125-Y232 HydrophobicContact CB-CD1 3.98Å; L125-Y232 HydrophobicContact CB-CE1 3.57Å; L125-Y232 HydrophobicContact CD1-CD1 4.48Å; L125-Y232 HydrophobicContact CD1-CD2 4.23Å; L125-Y232 HydrophobicContact CD1-CE1 4.27Å; L125-Y232 HydrophobicContact CD1-CE2 4.01Å; L125-Y232 HydrophobicContact CD1-CG 4.47Å; L125-Y232 HydrophobicContact CG-CE1 4.33Å; L220-Y232 HydrophobicContact CD1-CE2 4.17Å
233	V	98.8	Very high	98.4	Very high	7 Å²	7	52 Å²	52	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.1	-179.2	-59	0	0	0	0	112	K123 L124 L126 C231 E237 L238 M241 W268	K123-V233 CarbonylContact C-O 3.56Å; K123-V233 VanDerWaalsContact CA-O 3.24Å; K123-V233 WeakPolarHBondContact CA-O 3.24Å; K123-V233 WeakPolarHBondContact CB-O 3.3Å; L124-V233 HydrophobicContact CB-CG2 4.33Å; L124-V233 PolarHBondContact N-O 3.44Å; L124-V233 PolarHBondContact O-N 2.76Å; L126-V233 HydrophobicContact CD1-CG1 4.06Å; L126-V233 HydrophobicContact CD1-CG2 3.69Å; L126-V233 HydrophobicContact CG-CG2 3.85Å; C231-V233 HydrophobicContact CB-CG1 4.45Å; V233-E237 WeakPolarHBondContact CA-OE2 3.22Å; V233-E237 HydrophobicContact CB-CB 3.96Å; V233-E237 HydrophobicContact CG1-CB 4.43Å; V233-L238 HydrophobicContact CG2-CB 4Å; V233-M241 HydrophobicContact CG1-SD 3.98Å; V233-W268 HydrophobicContact CG2-CH2 4.28Å; V233-W268 WeakPolarHBondContact O-CH2 3.47Å; V233-W268 WeakPolarHBondContact O-CZ2 3.44Å
234	S	98.8	Very high	98.4	Very high	25 Å²	25	54.9 Å²	54.9	18%	0.175	28%	0.279	C	S	.	.			trans	-73.2	172.6	164.9	91.4	0	0	0	0	111.3	E236 E237 L238	S234-E236 VanDerWaalsContact C-N 3.3Å; S234-E236 PolarHBondContact O-N 2.84Å; S234-E236 PolarHBondContact OG-N 2.92Å; S234-E236 PolarHBondContact OG-OE2 3.4Å; S234-E237 PolarHBondContact N-OE2 2.75Å; S234-E237 PolarHBondContact O-N 3.06Å; S234-E237 PolarHBondContact OG-N 3.17Å; S234-L238 PolarHBondContact O-N 3.49Å
235	K	98.5	Very high	98.4	Very high	36 Å²	36	50.7 Å²	50.7	16%	0.157	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-42.4	173.3	-70.7	174	-175.6	164	0	111.7	L238 K239 F265 W268 D269	K235-L238 PolarHBondContact O-N 3.34Å; K235-K239 VanDerWaalsContact O-CG 3.29Å; K235-K239 WeakPolarHBondContact O-CG 3.47Å; K235-K239 PolarHBondContact O-N 2.88Å; K235-F265 HydrophobicContact CB-CE1 4.43Å; K235-F265 HydrophobicContact CG-CD1 4.44Å; K235-W268 HydrophobicContact CD-CD2 4.34Å; K235-W268 HydrophobicContact CD-CG 4.21Å; K235-W268 WeakPolarHBondContact CE-O 3.4Å; K235-W268 HydrophobicContact CG-CD2 3.6Å; K235-W268 HydrophobicContact CG-CE3 4.01Å; K235-W268 HydrophobicContact CG-CG 3.99Å; K235-W268 HydrophobicContact CG-CH2 4.44Å; K235-W268 HydrophobicContact CG-CZ2 4.09Å; K235-W268 HydrophobicContact CG-CZ3 4.42Å; K235-W268 VanDerWaalsContact NZ-C 3.35Å; K235-W268 PolarHBondContact NZ-O 2.89Å; K235-D269 WeakPolarHBondContact CE-OD1 3.19Å; K235-D269 IonicContact NZ-OD1 2.72Å; K235-D269 PolarHBondContact NZ-OD1 2.91Å
236	E	98.6	Very high	98.3	Very high	125 Å²	125	56.3 Å²	56.3	58%	0.584	28%	0.279	S	S	*	.	H	α-helix	trans	-67.3	-42.9	-179.5	-61.4	66.7	-143.4	0	0	110.9	S234 K239 A240	S234-E236 VanDerWaalsContact C-N 3.3Å; S234-E236 PolarHBondContact O-N 2.84Å; S234-E236 PolarHBondContact OG-N 2.92Å; S234-E236 PolarHBondContact OG-OE2 3.4Å; E236-K239 PolarHBondContact O-N 3.08Å; E236-A240 WeakPolarHBondContact O-CB 3.39Å; E236-A240 PolarHBondContact O-N 3.33Å
237	E	98.7	Very high	98.2	Very high	98 Å²	98	62.2 Å²	62.2	46%	0.458	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-43.6	175.6	-69.5	172.8	146.8	0	0	111	V233 S234 A240 M241	V233-E237 WeakPolarHBondContact CA-OE2 3.22Å; V233-E237 HydrophobicContact CB-CB 3.96Å; V233-E237 HydrophobicContact CG1-CB 4.43Å; S234-E237 PolarHBondContact N-OE2 2.75Å; S234-E237 PolarHBondContact O-N 3.06Å; S234-E237 PolarHBondContact OG-N 3.17Å; E237-A240 PolarHBondContact O-N 3.28Å; E237-M241 WeakPolarHBondContact O-CG 3.45Å; E237-M241 PolarHBondContact O-N 3.16Å
238	L	98.6	Very high	98.1	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-44.4	174.8	178.3	60	0	0	0	111.8	L124 L126 V233 S234 K235 A240 M241 L242 F256 L264 F265 W268	L124-L238 HydrophobicContact CD2-CD2 4.43Å; L126-L238 HydrophobicContact CD1-CD1 4.15Å; V233-L238 HydrophobicContact CG2-CB 4Å; S234-L238 PolarHBondContact O-N 3.49Å; K235-L238 PolarHBondContact O-N 3.34Å; L238-A240 VanDerWaalsContact C-N 3.31Å; L238-A240 PolarHBondContact O-N 2.76Å; L238-M241 WeakPolarHBondContact O-CB 3.32Å; L238-M241 PolarHBondContact O-N 3.22Å; L238-M241 VanDerWaalsContact O-N 3.11Å; L238-L242 HydrophobicContact CD1-CD1 4.32Å; L238-L242 HydrophobicContact CD1-CD2 4.43Å; L238-L242 HydrophobicContact CD1-CG 4.09Å; L238-L242 HydrophobicContact CG-CD1 4.07Å; L238-L242 HydrophobicContact CG-CG 4.31Å; L238-L242 WeakPolarHBondContact O-CG 3.5Å; L238-L242 PolarHBondContact O-N 3.36Å; L238-F256 HydrophobicContact CD1-CE1 3.68Å; L238-F256 HydrophobicContact CD1-CZ 3.59Å; L238-F256 HydrophobicContact CD2-CZ 4.03Å; L238-L264 HydrophobicContact CD2-CD2 3.65Å; L238-F265 HydrophobicContact CD2-CE1 4.2Å; L238-F265 HydrophobicContact CD2-CZ 4.05Å; L238-F265 HydrophobicContact CG-CZ 4.19Å; L238-W268 HydrophobicContact CB-CZ3 4.37Å; L238-W268 HydrophobicContact CD2-CE3 4.46Å; L238-W268 HydrophobicContact CD2-CZ3 3.64Å
239	K	98.4	Very high	98	Very high	99 Å²	99	71.4 Å²	71.4	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-56.7	-46.8	175.7	-75.7	170.8	-177.7	174	0	111.2	K235 E236 M241 L242 E243 F265	K235-K239 VanDerWaalsContact O-CG 3.29Å; K235-K239 WeakPolarHBondContact O-CG 3.47Å; K235-K239 PolarHBondContact O-N 2.88Å; E236-K239 PolarHBondContact O-N 3.08Å; K239-M241 VanDerWaalsContact C-N 3.29Å; K239-M241 PolarHBondContact O-N 3.24Å; K239-L242 PolarHBondContact O-N 3.44Å; K239-L242 VanDerWaalsContact O-N 3.17Å; K239-E243 WeakPolarHBondContact O-CG 3.34Å; K239-E243 PolarHBondContact O-N 2.53Å; K239-F265 HydrophobicContact CD-CE1 4.38Å; K239-F265 HydrophobicContact CG-CE1 3.76Å; K239-F265 HydrophobicContact CG-CE2 4.36Å; K239-F265 HydrophobicContact CG-CZ 3.56Å
240	A	98.3	Very high	97.9	Very high	41 Å²	41	70.7 Å²	70.7	34%	0.339	34%	0.335	S	S	.	.	H	α-helix	trans	-63	-34.5	176.7	0	0	0	0	0	112.8	E236 E237 L238 K244	E236-A240 WeakPolarHBondContact O-CB 3.39Å; E236-A240 PolarHBondContact O-N 3.33Å; E237-A240 PolarHBondContact O-N 3.28Å; L238-A240 VanDerWaalsContact C-N 3.31Å; L238-A240 PolarHBondContact O-N 2.76Å; A240-K244 WeakPolarHBondContact O-CG 3.37Å; A240-K244 PolarHBondContact O-N 2.76Å; A240-K244 VanDerWaalsContact O-N 3.16Å
241	M	98.3	Very high	97.8	Very high	31 Å²	31	72.1 Å²	72.1	15%	0.153	35%	0.346	C	S	.	.	H	α-helix	trans	-65.8	-46.9	171.4	-72	-179.8	71.4	0	0	111.4	L126 F140 V233 E237 L238 K239 E243 K244 A245 L250	L126-M241 HydrophobicContact CD1-CE 3.99Å; L126-M241 HydrophobicContact CD1-SD 3.97Å; F140-M241 HydrophobicContact CB-CE 4.38Å; F140-M241 HydrophobicContact CD1-CE 3.68Å; F140-M241 HydrophobicContact CD2-CE 4.48Å; F140-M241 HydrophobicContact CE1-CE 4.01Å; F140-M241 HydrophobicContact CG-CE 3.93Å; V233-M241 HydrophobicContact CG1-SD 3.98Å; E237-M241 WeakPolarHBondContact O-CG 3.45Å; E237-M241 PolarHBondContact O-N 3.16Å; L238-M241 WeakPolarHBondContact O-CB 3.32Å; L238-M241 PolarHBondContact O-N 3.22Å; L238-M241 VanDerWaalsContact O-N 3.11Å; K239-M241 VanDerWaalsContact C-N 3.29Å; K239-M241 PolarHBondContact O-N 3.24Å; M241-E243 VanDerWaalsContact C-N 3.32Å; M241-E243 PolarHBondContact O-N 3.16Å; M241-K244 WeakPolarHBondContact O-CB 3.45Å; M241-K244 PolarHBondContact O-N 3.32Å; M241-K244 VanDerWaalsContact O-N 3.12Å; M241-A245 PolarHBondContact O-N 3.14Å; M241-L250 HydrophobicContact CB-CD2 4.04Å; M241-L250 HydrophobicContact CE-CD1 4.46Å; M241-L250 WeakPolarHBondContact O-CD2 3.45Å
242	L	97.7	Very high	97.8	Very high	13 Å²	13	71.7 Å²	71.7	7%	0.068	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-39.9	178.7	-65	170.6	0	0	0	111.9	L238 K239 K244 A245 E246 A260 F265	L238-L242 HydrophobicContact CD1-CD1 4.32Å; L238-L242 HydrophobicContact CD1-CD2 4.43Å; L238-L242 HydrophobicContact CD1-CG 4.09Å; L238-L242 HydrophobicContact CG-CD1 4.07Å; L238-L242 HydrophobicContact CG-CG 4.31Å; L238-L242 WeakPolarHBondContact O-CG 3.5Å; L238-L242 PolarHBondContact O-N 3.36Å; K239-L242 PolarHBondContact O-N 3.44Å; K239-L242 VanDerWaalsContact O-N 3.17Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 2.89Å; L242-A245 WeakPolarHBondContact O-CA 3.45Å; L242-A245 WeakPolarHBondContact O-CB 3.46Å; L242-A245 PolarHBondContact O-N 3.43Å; L242-A245 VanDerWaalsContact O-N 3.08Å; L242-E246 WeakPolarHBondContact O-CG 3.29Å; L242-E246 PolarHBondContact O-N 3.01Å; L242-A260 HydrophobicContact CD1-CB 3.72Å; L242-A260 HydrophobicContact CD2-CB 4.23Å; L242-F265 HydrophobicContact CD1-CE2 3.98Å; L242-F265 HydrophobicContact CD1-CZ 3.93Å
243	E	97.7	Very high	97.8	Very high	104 Å²	104	68.7 Å²	68.7	49%	0.486	33%	0.33	S	S	.	.	H	α-helix	trans	-61.6	-39.8	173.4	-71.7	175	-172.1	0	0	112.8	K239 M241 A245 E246 R247	K239-E243 WeakPolarHBondContact O-CG 3.34Å; K239-E243 PolarHBondContact O-N 2.53Å; M241-E243 VanDerWaalsContact C-N 3.32Å; M241-E243 PolarHBondContact O-N 3.16Å; E243-A245 VanDerWaalsContact C-N 3.29Å; E243-E246 PolarHBondContact O-N 3.23Å; E243-R247 WeakPolarHBondContact O-CG 3.34Å; E243-R247 PolarHBondContact O-N 2.86Å; E243-R247 PolarHBondContact O-NH1 3.44Å
244	K	97.9	Very high	97.8	Very high	98 Å²	98	71.1 Å²	71.1	43%	0.426	35%	0.346	S	S	.	.	H	α-helix	trans	-63.9	-37.2	173	-77.5	173.2	179.8	179.8	0	111.2	A240 M241 L242 R247 K248 E249 L250	A240-K244 WeakPolarHBondContact O-CG 3.37Å; A240-K244 PolarHBondContact O-N 2.76Å; A240-K244 VanDerWaalsContact O-N 3.16Å; M241-K244 WeakPolarHBondContact O-CB 3.45Å; M241-K244 PolarHBondContact O-N 3.32Å; M241-K244 VanDerWaalsContact O-N 3.12Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 2.89Å; K244-R247 VanDerWaalsContact CG-NH2 3.26Å; K244-R247 CarbonylContact O-C 3.49Å; K244-R247 PolarHBondContact O-N 3.31Å; K244-K248 PolarHBondContact O-N 3.15Å; K244-E249 HydrophobicContact CB-CB 4.26Å; K244-E249 WeakPolarHBondContact O-CB 3.38Å; K244-E249 PolarHBondContact O-N 3.36Å; K244-L250 HydrophobicContact CB-CD2 3.66Å
245	A	97.3	Very high	97.7	Very high	19 Å²	19	70.2 Å²	70.2	16%	0.157	34%	0.338	C	S	.	.	H	α-helix	trans	-66.5	-40.3	176.6	0	0	0	0	0	112.3	M241 L242 E243 R247 K248 L250 V252	M241-A245 PolarHBondContact O-N 3.14Å; L242-A245 WeakPolarHBondContact O-CA 3.45Å; L242-A245 WeakPolarHBondContact O-CB 3.46Å; L242-A245 PolarHBondContact O-N 3.43Å; L242-A245 VanDerWaalsContact O-N 3.08Å; E243-A245 VanDerWaalsContact C-N 3.29Å; A245-R247 VanDerWaalsContact C-N 3.25Å; A245-R247 PolarHBondContact O-N 3.21Å; A245-K248 WeakPolarHBondContact O-CA 3.39Å; A245-K248 PolarHBondContact O-N 3.35Å; A245-L250 VanDerWaalsContact CA-O 3.32Å; A245-L250 WeakPolarHBondContact CA-O 3.49Å; A245-L250 HydrophobicContact CB-CD2 4.2Å; A245-L250 HydrophobicContact CB-CG 4.11Å; A245-V252 HydrophobicContact CB-CB 4.43Å; A245-V252 HydrophobicContact CB-CG1 3.88Å; A245-V252 HydrophobicContact CB-CG2 3.79Å
246	E	95.8	Very high	97.7	Very high	144 Å²	144	68.5 Å²	68.5	67%	0.673	33%	0.331	S	S	*	.	H	α-helix	trans	-59.9	-36.3	172.9	-70.6	177.5	175.9	0	0	112.4	L242 E243 K248	L242-E246 WeakPolarHBondContact O-CG 3.29Å; L242-E246 PolarHBondContact O-N 3.01Å; E243-E246 PolarHBondContact O-N 3.23Å; E246-K248 PolarHBondContact O-N 2.71Å
247	R	97.2	Very high	97.6	Very high	126 Å²	126	63.1 Å²	63.1	48%	0.475	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1.1	173.6	-63.4	-167.7	-52.9	-83.6	-2.9	114.1	E243 K244 A245 E249	E243-R247 WeakPolarHBondContact O-CG 3.34Å; E243-R247 PolarHBondContact O-N 2.86Å; E243-R247 PolarHBondContact O-NH1 3.44Å; K244-R247 VanDerWaalsContact CG-NH2 3.26Å; K244-R247 CarbonylContact O-C 3.49Å; K244-R247 PolarHBondContact O-N 3.31Å; A245-R247 VanDerWaalsContact C-N 3.25Å; A245-R247 PolarHBondContact O-N 3.21Å; R247-E249 HydrophobicContact CB-CG 4.08Å; R247-E249 IonicContact CZ-OE1 2.76Å; R247-E249 IonicContact CZ-OE2 2.63Å; R247-E249 IonicContact NE-OE1 3.9Å; R247-E249 PolarHBondContact NE-OE1 3.01Å; R247-E249 IonicContact NE-OE2 2.75Å; R247-E249 IonicContact NH2-OE1 3.71Å; R247-E249 IonicContact NH2-OE2 2.92Å; R247-E249 PolarHBondContact NH2-OE2 2.63Å; R247-E249 PolarHBondContact O-N 3Å
248	K	95.7	Very high	97.5	Very high	185 Å²	185	60.7 Å²	60.7	80%	0.804	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	30	-177.1	-51.6	-178	178.8	-176	0	113.6	K244 A245 E246	K244-K248 PolarHBondContact O-N 3.15Å; A245-K248 WeakPolarHBondContact O-CA 3.39Å; A245-K248 PolarHBondContact O-N 3.35Å; E246-K248 PolarHBondContact O-N 2.71Å
249	E	96.9	Very high	97.5	Very high	121 Å²	121	60.8 Å²	60.8	57%	0.565	30%	0.299	S	S	*	.	S	Bend	trans	-86.9	-14.3	173.6	-66	168.8	-162.5	0	0	111.7	K244 R247	K244-E249 HydrophobicContact CB-CB 4.26Å; K244-E249 WeakPolarHBondContact O-CB 3.38Å; K244-E249 PolarHBondContact O-N 3.36Å; R247-E249 HydrophobicContact CB-CG 4.08Å; R247-E249 IonicContact CZ-OE1 2.76Å; R247-E249 IonicContact CZ-OE2 2.63Å; R247-E249 IonicContact NE-OE1 3.9Å; R247-E249 PolarHBondContact NE-OE1 3.01Å; R247-E249 IonicContact NE-OE2 2.75Å; R247-E249 IonicContact NH2-OE1 3.71Å; R247-E249 IonicContact NH2-OE2 2.92Å; R247-E249 PolarHBondContact NH2-OE2 2.63Å; R247-E249 PolarHBondContact O-N 3Å
250	L	95.9	Very high	97.4	Very high	27 Å²	27	56.1 Å²	56.1	14%	0.141	28%	0.279	C	S	.	.	S	Bend	trans	-150.6	153.6	176	109.7	101.7	0	0	0	108.9	F140 M241 K244 A245 V252	F140-L250 HydrophobicContact CB-CD1 4Å; F140-L250 HydrophobicContact CD2-CD1 3.29Å; F140-L250 HydrophobicContact CE2-CD1 3.99Å; F140-L250 HydrophobicContact CG-CD1 3.89Å; M241-L250 HydrophobicContact CB-CD2 4.04Å; M241-L250 HydrophobicContact CE-CD1 4.46Å; M241-L250 WeakPolarHBondContact O-CD2 3.45Å; K244-L250 HydrophobicContact CB-CD2 3.66Å; A245-L250 VanDerWaalsContact CA-O 3.32Å; A245-L250 WeakPolarHBondContact CA-O 3.49Å; A245-L250 HydrophobicContact CB-CD2 4.2Å; A245-L250 HydrophobicContact CB-CG 4.11Å; L250-V252 HydrophobicContact CD1-CG1 3.9Å; L250-V252 HydrophobicContact CG-CG1 4.34Å
251	D	97.9	Very high	97.2	Very high	108 Å²	108	59.3 Å²	59.3	58%	0.578	29%	0.291	S	S	*	.			trans	-102.6	130.6	175.6	-62.8	-53.4	0	0	0	111.2	C139 F140	C139-D251 WeakPolarHBondContact CA-O 3.48Å; C139-D251 HydrophobicContact CB-CB 4.46Å; F140-D251 PolarHBondContact N-O 3.17Å
252	V	98.4	Very high	97.1	Very high	35 Å²	35	61.2 Å²	61.2	21%	0.212	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-117.1	145.9	170.4	-63	0	0	0	0	109.6	F140 A245 L250 F256	F140-V252 HydrophobicContact CB-CG1 4.32Å; F140-V252 VanDerWaalsContact O-CA 3.3Å; F140-V252 WeakPolarHBondContact O-CA 3.24Å; A245-V252 HydrophobicContact CB-CB 4.43Å; A245-V252 HydrophobicContact CB-CG1 3.88Å; A245-V252 HydrophobicContact CB-CG2 3.79Å; L250-V252 HydrophobicContact CD1-CG1 3.9Å; L250-V252 HydrophobicContact CG-CG1 4.34Å; V252-F256 HydrophobicContact CB-CD1 4.44Å
253	T	98.6	Very high	97	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.309	C	S	.	.			trans	-65.9	142.9	177.8	56.4	0	0	0	0	111	F136 C139 F140 T141 W255 F256 G257	F136-T253 HydrophobicContact CB-CG2 4.09Å; C139-T253 HydrophobicContact CB-CG2 3.6Å; F140-T253 PolarHBondContact O-N 3Å; T141-T253 WeakPolarHBondContact CB-OG1 3.31Å; T141-T253 PolarHBondContact OG1-OG1 2.86Å; T253-W255 VanDerWaalsContact CB-CZ2 3.44Å; T253-W255 VanDerWaalsContact CB-CZ3 3.49Å; T253-W255 HydrophobicContact CG2-CE3 4.46Å; T253-W255 HydrophobicContact CG2-CH2 3.27Å; T253-W255 HydrophobicContact CG2-CZ2 3.48Å; T253-W255 VanDerWaalsContact CG2-CZ2 3.48Å; T253-W255 HydrophobicContact CG2-CZ3 3.81Å; T253-W255 PolarHBondContact O-N 2.92Å; T253-W255 VanDerWaalsContact OG1-CE2 3.22Å; T253-W255 WeakPolarHBondContact OG1-CZ2 3.49Å; T253-F256 PolarHBondContact O-N 3.24Å; T253-F256 VanDerWaalsContact O-N 3.09Å; T253-F256 WeakPolarHBondContact OG1-CB 3.45Å; T253-G257 PolarHBondContact O-N 2.93Å; T253-G257 VanDerWaalsContact O-N 3.12Å
254	P	97.8	Very high	97	Very high	58 Å²	58	57.5 Å²	57.5	38%	0.377	29%	0.286	S	S	.	.	H	α-helix	trans	-55.7	-44.1	-174.8	-30	37.8	0	0	0	114.4	F136 A197 F256 G257 L258	F136-P254 HydrophobicContact CD1-CG 4.39Å; F136-P254 VanDerWaalsContact CE1-CD 3.46Å; F136-P254 HydrophobicContact CE1-CG 3.64Å; F136-P254 HydrophobicContact CZ-CG 4.06Å; A197-P254 HydrophobicContact CB-CB 3.79Å; A197-P254 HydrophobicContact CB-CG 3.94Å; P254-F256 VanDerWaalsContact C-N 3.35Å; P254-F256 PolarHBondContact O-N 3.32Å; P254-G257 PolarHBondContact O-N 3.47Å; P254-L258 VanDerWaalsContact O-CB 3.3Å; P254-L258 WeakPolarHBondContact O-CB 3.37Å; P254-L258 PolarHBondContact O-N 3.38Å
255	W	98.2	Very high	97	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.019	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-39.6	178.8	67.7	90.9	0	0	0	111.9	F136 T141 N142 C145 Y195 T253 L258 I259	F136-W255 HydrophobicContact CD2-CH2 4.12Å; F136-W255 AromaticContact CD2-CZ3 3.61Å; F136-W255 HydrophobicContact CD2-CZ3 3.61Å; F136-W255 AromaticContact CE2-CZ3 3.78Å; F136-W255 HydrophobicContact CE2-CZ3 3.78Å; F136-W255 HydrophobicContact CG-CZ3 4.26Å; T141-W255 HydrophobicContact CG2-CZ2 4.27Å; T141-W255 VanDerWaalsContact OG1-CE2 3.23Å; T141-W255 WeakPolarHBondContact OG1-CZ2 3.46Å; T141-W255 PolarHBondContact OG1-NE1 3.13Å; N142-W255 PolarHBondContact OD1-NE1 3.34Å; C145-W255 HydrophobicContact CB-CZ2 4.16Å; C145-W255 PolarHBondContact SG-NE1 2.89Å; Y195-W255 HydrophobicContact CD1-CB 4.43Å; Y195-W255 HydrophobicContact CD2-CB 4.25Å; Y195-W255 HydrophobicContact CE1-CB 4.04Å; Y195-W255 HydrophobicContact CE2-CB 3.84Å; Y195-W255 HydrophobicContact CE2-CE3 4.3Å; T253-W255 VanDerWaalsContact CB-CZ2 3.44Å; T253-W255 VanDerWaalsContact CB-CZ3 3.49Å; T253-W255 HydrophobicContact CG2-CE3 4.46Å; T253-W255 HydrophobicContact CG2-CH2 3.27Å; T253-W255 HydrophobicContact CG2-CZ2 3.48Å; T253-W255 VanDerWaalsContact CG2-CZ2 3.48Å; T253-W255 HydrophobicContact CG2-CZ3 3.81Å; T253-W255 PolarHBondContact O-N 2.92Å; T253-W255 VanDerWaalsContact OG1-CE2 3.22Å; T253-W255 WeakPolarHBondContact OG1-CZ2 3.49Å; W255-L258 WeakPolarHBondContact O-CB 3.49Å; W255-L258 PolarHBondContact O-N 2.92Å; W255-I259 WeakPolarHBondContact O-CB 3.32Å; W255-I259 WeakPolarHBondContact O-CD1 3.43Å; W255-I259 WeakPolarHBondContact O-CG1 3.38Å; W255-I259 PolarHBondContact O-N 2.59Å
256	F	98.3	Very high	97.1	Very high	1 Å²	1	60 Å²	60	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-65.3	-44.7	178.8	-178.1	-117.3	0	0	0	111.3	F116 L124 L126 N142 L238 V252 T253 P254 L258 I259 A260 L264	F116-F256 HydrophobicContact CE1-CD2 4.17Å; F116-F256 HydrophobicContact CE1-CE2 4.02Å; L124-F256 HydrophobicContact CD2-CE2 4.25Å; L124-F256 HydrophobicContact CD2-CZ 4.41Å; L126-F256 HydrophobicContact CD1-CZ 4.46Å; L126-F256 HydrophobicContact CD2-CE1 4.17Å; L126-F256 HydrophobicContact CD2-CE2 3.95Å; L126-F256 HydrophobicContact CD2-CZ 3.47Å; L126-F256 VanDerWaalsContact CD2-CZ 3.47Å; N142-F256 HydrophobicContact CB-CD2 3.71Å; N142-F256 HydrophobicContact CB-CE2 3.9Å; L238-F256 HydrophobicContact CD1-CE1 3.68Å; L238-F256 HydrophobicContact CD1-CZ 3.59Å; L238-F256 HydrophobicContact CD2-CZ 4.03Å; V252-F256 HydrophobicContact CB-CD1 4.44Å; T253-F256 PolarHBondContact O-N 3.24Å; T253-F256 VanDerWaalsContact O-N 3.09Å; T253-F256 WeakPolarHBondContact OG1-CB 3.45Å; P254-F256 VanDerWaalsContact C-N 3.35Å; P254-F256 PolarHBondContact O-N 3.32Å; F256-L258 VanDerWaalsContact C-N 3.32Å; F256-L258 PolarHBondContact O-N 3.2Å; F256-I259 PolarHBondContact O-N 3.47Å; F256-A260 WeakPolarHBondContact O-CB 3.36Å; F256-A260 PolarHBondContact O-N 3.34Å; F256-L264 HydrophobicContact CE2-CD2 4.03Å; F256-L264 HydrophobicContact CZ-CD2 4.44Å
257	G	97.1	Very high	97.2	Very high	12 Å²	12	53.6 Å²	53.6	12%	0.124	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-42.4	174.8	0	0	0	0	0	112.3	T253 P254 A260 N261	T253-G257 PolarHBondContact O-N 2.93Å; T253-G257 VanDerWaalsContact O-N 3.12Å; P254-G257 PolarHBondContact O-N 3.47Å; G257-A260 PolarHBondContact O-N 3.27Å; G257-N261 WeakPolarHBondContact O-CB 2.98Å; G257-N261 VanDerWaalsContact O-CG 3.26Å; G257-N261 PolarHBondContact O-N 3.39Å; G257-N261 PolarHBondContact O-ND2 3.33Å
258	L	96.1	Very high	97.2	Very high	47 Å²	47	47.8 Å²	47.8	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-51	176.8	-176.3	83.1	0	0	0	112.6	I193 P254 W255 F256 T262 M286	I193-L258 HydrophobicContact CG2-CD2 4.35Å; P254-L258 VanDerWaalsContact O-CB 3.3Å; P254-L258 WeakPolarHBondContact O-CB 3.37Å; P254-L258 PolarHBondContact O-N 3.38Å; W255-L258 WeakPolarHBondContact O-CB 3.49Å; W255-L258 PolarHBondContact O-N 2.92Å; F256-L258 VanDerWaalsContact C-N 3.32Å; F256-L258 PolarHBondContact O-N 3.2Å; L258-T262 WeakPolarHBondContact O-CB 3.43Å; L258-T262 PolarHBondContact O-N 3.36Å; L258-T262 PolarHBondContact O-OG1 2.87Å; L258-M286 HydrophobicContact CD1-CB 3.99Å; L258-M286 HydrophobicContact CD1-CE 3.66Å; L258-M286 HydrophobicContact CD1-SD 4.37Å; L258-M286 HydrophobicContact CD2-CB 3.54Å; L258-M286 HydrophobicContact CD2-CE 3.99Å; L258-M286 HydrophobicContact CD2-CG 4.17Å; L258-M286 HydrophobicContact CD2-SD 3.6Å; L258-M286 VanDerWaalsContact CD2-SD 3.6Å; L258-M286 HydrophobicContact CG-CB 4.12Å; L258-M286 HydrophobicContact CG-CE 3.48Å; L258-M286 VanDerWaalsContact CG-CE 3.48Å; L258-M286 HydrophobicContact CG-SD 3.79Å
259	I	97.5	Very high	97.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-42.5	178.9	-66.5	164.9	0	0	0	110.1	F116 I193 I211 W255 F256 N261 T262 F263 L264 W267	F116-I259 HydrophobicContact CE1-CG2 4.17Å; F116-I259 HydrophobicContact CE2-CD1 4.33Å; F116-I259 HydrophobicContact CE2-CG2 4.29Å; F116-I259 HydrophobicContact CZ-CB 4.29Å; F116-I259 HydrophobicContact CZ-CD1 3.98Å; F116-I259 HydrophobicContact CZ-CG2 3.58Å; I193-I259 HydrophobicContact CD1-CD1 4.21Å; I193-I259 HydrophobicContact CD1-CG1 3.67Å; I211-I259 HydrophobicContact CD1-CD1 3.88Å; W255-I259 WeakPolarHBondContact O-CB 3.32Å; W255-I259 WeakPolarHBondContact O-CD1 3.43Å; W255-I259 WeakPolarHBondContact O-CG1 3.38Å; W255-I259 PolarHBondContact O-N 2.59Å; F256-I259 PolarHBondContact O-N 3.47Å; I259-N261 PolarHBondContact O-N 3.11Å; I259-T262 PolarHBondContact O-N 3.19Å; I259-F263 PolarHBondContact O-N 3.11Å; I259-L264 HydrophobicContact CG2-CB 4.32Å; I259-L264 PolarHBondContact O-N 2.88Å; I259-W267 HydrophobicContact CG2-CZ3 3.82Å
260	A	96.9	Very high	97.3	Very high	1 Å²	1	40 Å²	40	1%	0.008	21%	0.212	C	C	.	.	I	π-helix	trans	-58.9	-49	179.2	0	0	0	0	0	112	L242 F256 G257 T262 L264 F265	L242-A260 HydrophobicContact CD1-CB 3.72Å; L242-A260 HydrophobicContact CD2-CB 4.23Å; F256-A260 WeakPolarHBondContact O-CB 3.36Å; F256-A260 PolarHBondContact O-N 3.34Å; G257-A260 PolarHBondContact O-N 3.27Å; A260-T262 VanDerWaalsContact C-N 3.3Å; A260-T262 PolarHBondContact O-N 3.1Å; A260-L264 HydrophobicContact CB-CD2 4.2Å; A260-F265 VanDerWaalsContact O-CD2 3.22Å; A260-F265 WeakPolarHBondContact O-CD2 3.49Å; A260-F265 WeakPolarHBondContact O-CE2 3.48Å
261	N	94.4	Very high	97.3	Very high	108 Å²	108	39.4 Å²	39.4	58%	0.578	21%	0.209	S	C	*	.	I	π-helix	trans	-74.7	-18.1	-176.5	-70.6	-22.5	0	0	0	113.9	G257 I259	G257-N261 WeakPolarHBondContact O-CB 2.98Å; G257-N261 VanDerWaalsContact O-CG 3.26Å; G257-N261 PolarHBondContact O-N 3.39Å; G257-N261 PolarHBondContact O-ND2 3.33Å; I259-N261 PolarHBondContact O-N 3.11Å
262	T	95.5	Very high	97.1	Very high	72 Å²	72	41.6 Å²	41.6	44%	0.442	22%	0.216	S	C	.	.	I	π-helix	trans	-107.9	-42.8	-173.6	-48.7	0	0	0	0	113.1	L258 I259 A260 M286	L258-T262 WeakPolarHBondContact O-CB 3.43Å; L258-T262 PolarHBondContact O-N 3.36Å; L258-T262 PolarHBondContact O-OG1 2.87Å; I259-T262 PolarHBondContact O-N 3.19Å; A260-T262 VanDerWaalsContact C-N 3.3Å; A260-T262 PolarHBondContact O-N 3.1Å; T262-M286 HydrophobicContact CG2-CE 3.64Å; T262-M286 WeakPolarHBondContact OG1-CE 3.36Å
263	F	96.4	Very high	97	Very high	38 Å²	38	42.3 Å²	42.3	17%	0.167	22%	0.218	C	C	.	.	I	π-helix	trans	-129.4	-41.2	-166	-58.4	-65.6	0	0	0	114.2	I193 I259 F265 K266 W267 H284 M286	I193-F263 HydrophobicContact CD1-CD2 3.93Å; I193-F263 HydrophobicContact CD1-CE2 3.79Å; I193-F263 HydrophobicContact CG1-CE2 4.43Å; I259-F263 PolarHBondContact O-N 3.11Å; F263-F265 PolarHBondContact O-N 3.4Å; F263-K266 WeakPolarHBondContact O-CB 3.24Å; F263-K266 PolarHBondContact O-N 3.41Å; F263-W267 HydrophobicContact CB-CD2 3.8Å; F263-W267 HydrophobicContact CB-CE3 3.72Å; F263-W267 HydrophobicContact CB-CH2 3.34Å; F263-W267 HydrophobicContact CB-CZ2 3.4Å; F263-W267 HydrophobicContact CB-CZ3 3.5Å; F263-W267 HydrophobicContact CD1-CH2 4.46Å; F263-W267 AromaticContact CD1-CZ2 4Å; F263-W267 HydrophobicContact CD1-CZ2 4Å; F263-W267 AromaticContact CD2-CH2 3.91Å; F263-W267 HydrophobicContact CD2-CH2 3.91Å; F263-W267 HydrophobicContact CD2-CZ2 4.26Å; F263-W267 AromaticContact CG-CH2 3.69Å; F263-W267 HydrophobicContact CG-CH2 3.69Å; F263-W267 AromaticContact CG-CZ2 3.66Å; F263-W267 HydrophobicContact CG-CZ2 3.66Å; F263-W267 HydrophobicContact CG-CZ3 4.32Å; F263-W267 PolarHBondContact O-N 3.17Å; F263-W267 VanDerWaalsContact O-N 3.08Å; F263-H284 HydrophobicContact CZ-CB 4.19Å; F263-H284 AromaticContact CZ-CG 3.94Å; F263-H284 AromaticContact CZ-ND1 3.99Å; F263-M286 HydrophobicContact CD2-SD 4.48Å; F263-M286 HydrophobicContact CE2-CE 3.94Å; F263-M286 HydrophobicContact CE2-SD 3.55Å; F263-M286 VanDerWaalsContact CE2-SD 3.55Å; F263-M286 HydrophobicContact CZ-SD 4.27Å
264	L	97.9	Very high	96.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-56.3	-47.5	-162.9	-176.5	57	0	0	0	113	F116 F118 L124 F213 L238 F256 I259 A260 K266 W267 W268	F116-L264 HydrophobicContact CD1-CD1 3.57Å; F116-L264 HydrophobicContact CD1-CD2 4.43Å; F116-L264 HydrophobicContact CE1-CD1 3.76Å; F116-L264 HydrophobicContact CE1-CD2 4.07Å; F116-L264 HydrophobicContact CE1-CG 4.49Å; F116-L264 HydrophobicContact CG-CD1 4.4Å; F118-L264 HydrophobicContact CZ-CD1 4.32Å; L124-L264 HydrophobicContact CD2-CD2 3.96Å; F213-L264 HydrophobicContact CZ-CD1 4.04Å; L238-L264 HydrophobicContact CD2-CD2 3.65Å; F256-L264 HydrophobicContact CE2-CD2 4.03Å; F256-L264 HydrophobicContact CZ-CD2 4.44Å; I259-L264 HydrophobicContact CG2-CB 4.32Å; I259-L264 PolarHBondContact O-N 2.88Å; A260-L264 HydrophobicContact CB-CD2 4.2Å; L264-K266 VanDerWaalsContact C-N 3.28Å; L264-K266 PolarHBondContact O-N 2.9Å; L264-W267 PolarHBondContact O-N 3.17Å; L264-W268 HydrophobicContact CD1-CE3 4.49Å; L264-W268 HydrophobicContact CD2-CE3 4.43Å; L264-W268 HydrophobicContact CD2-CZ3 4.49Å; L264-W268 HydrophobicContact CG-CE3 4.13Å; L264-W268 WeakPolarHBondContact O-CB 3.09Å; L264-W268 PolarHBondContact O-N 2.8Å
265	F	98.1	Very high	96.6	Very high	39 Å²	39	48.5 Å²	48.5	17%	0.171	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-36.4	-178	-67.3	-67.5	0	0	0	112.2	K235 L238 K239 L242 A260 F263 W268 D269	K235-F265 HydrophobicContact CB-CE1 4.43Å; K235-F265 HydrophobicContact CG-CD1 4.44Å; L238-F265 HydrophobicContact CD2-CE1 4.2Å; L238-F265 HydrophobicContact CD2-CZ 4.05Å; L238-F265 HydrophobicContact CG-CZ 4.19Å; K239-F265 HydrophobicContact CD-CE1 4.38Å; K239-F265 HydrophobicContact CG-CE1 3.76Å; K239-F265 HydrophobicContact CG-CE2 4.36Å; K239-F265 HydrophobicContact CG-CZ 3.56Å; L242-F265 HydrophobicContact CD1-CE2 3.98Å; L242-F265 HydrophobicContact CD1-CZ 3.93Å; A260-F265 VanDerWaalsContact O-CD2 3.22Å; A260-F265 WeakPolarHBondContact O-CD2 3.49Å; A260-F265 WeakPolarHBondContact O-CE2 3.48Å; F263-F265 PolarHBondContact O-N 3.4Å; F265-W268 PolarHBondContact O-N 3.46Å; F265-D269 VanDerWaalsContact O-CG 3.26Å; F265-D269 PolarHBondContact O-N 2.94Å
266	K	97.7	Very high	96.5	Very high	132 Å²	132	55 Å²	55	57%	0.574	27%	0.271	S	S	*	.	H	α-helix	trans	-65.2	-44.8	175.1	-168.4	-172.4	-170.5	-163.6	0	111.3	F263 L264 W268 D269 N270 F277	F263-K266 WeakPolarHBondContact O-CB 3.24Å; F263-K266 PolarHBondContact O-N 3.41Å; L264-K266 VanDerWaalsContact C-N 3.28Å; L264-K266 PolarHBondContact O-N 2.9Å; K266-W268 VanDerWaalsContact C-N 3.34Å; K266-D269 PolarHBondContact O-N 2.85Å; K266-N270 PolarHBondContact O-ND2 3.18Å; K266-F277 HydrophobicContact CD-CD1 4.48Å; K266-F277 HydrophobicContact CD-CE1 3.74Å; K266-F277 HydrophobicContact CG-CE1 3.9Å; K266-F277 HydrophobicContact CG-CZ 4.3Å
267	W	98.1	Very high	96.4	Very high	9 Å²	9	56.6 Å²	56.6	3%	0.034	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-40.7	176.2	-61.9	-30.5	0	0	0	111.8	L190 T191 I211 F213 I259 F263 L264 D269 N270 L271 L274 F277	L190-W267 HydrophobicContact CD2-CD2 3.93Å; L190-W267 HydrophobicContact CD2-CE3 4.37Å; L190-W267 HydrophobicContact CD2-CG 4.09Å; L190-W267 HydrophobicContact CD2-CZ2 4.46Å; T191-W267 HydrophobicContact CG2-CH2 4.11Å; T191-W267 HydrophobicContact CG2-CZ2 3.96Å; I211-W267 HydrophobicContact CG1-CH2 4.45Å; I211-W267 HydrophobicContact CG2-CH2 4.01Å; I211-W267 HydrophobicContact CG2-CZ3 3.81Å; F213-W267 HydrophobicContact CE1-CB 4.17Å; F213-W267 HydrophobicContact CE2-CD2 4.48Å; F213-W267 AromaticContact CE2-CE3 3.76Å; F213-W267 HydrophobicContact CE2-CE3 3.76Å; F213-W267 HydrophobicContact CE2-CZ3 4.13Å; F213-W267 HydrophobicContact CZ-CB 4.04Å; F213-W267 HydrophobicContact CZ-CD2 4.25Å; F213-W267 AromaticContact CZ-CE3 3.61Å; F213-W267 HydrophobicContact CZ-CE3 3.61Å; F213-W267 HydrophobicContact CZ-CG 4.49Å; F213-W267 HydrophobicContact CZ-CZ3 4.37Å; I259-W267 HydrophobicContact CG2-CZ3 3.82Å; F263-W267 HydrophobicContact CB-CD2 3.8Å; F263-W267 HydrophobicContact CB-CE3 3.72Å; F263-W267 HydrophobicContact CB-CH2 3.34Å; F263-W267 HydrophobicContact CB-CZ2 3.4Å; F263-W267 HydrophobicContact CB-CZ3 3.5Å; F263-W267 HydrophobicContact CD1-CH2 4.46Å; F263-W267 AromaticContact CD1-CZ2 4Å; F263-W267 HydrophobicContact CD1-CZ2 4Å; F263-W267 AromaticContact CD2-CH2 3.91Å; F263-W267 HydrophobicContact CD2-CH2 3.91Å; F263-W267 HydrophobicContact CD2-CZ2 4.26Å; F263-W267 AromaticContact CG-CH2 3.69Å; F263-W267 HydrophobicContact CG-CH2 3.69Å; F263-W267 AromaticContact CG-CZ2 3.66Å; F263-W267 HydrophobicContact CG-CZ2 3.66Å; F263-W267 HydrophobicContact CG-CZ3 4.32Å; F263-W267 PolarHBondContact O-N 3.17Å; F263-W267 VanDerWaalsContact O-N 3.08Å; L264-W267 PolarHBondContact O-N 3.17Å; W267-D269 VanDerWaalsContact C-N 3.32Å; W267-D269 PolarHBondContact O-N 2.92Å; W267-N270 CarbonylContact O-C 3.59Å; W267-N270 WeakPolarHBondContact O-CA 3.36Å; W267-N270 PolarHBondContact O-N 2.91Å; W267-L271 PolarHBondContact O-N 3.04Å; W267-L271 VanDerWaalsContact O-N 3.16Å; W267-L274 HydrophobicContact CB-CD2 4.22Å; W267-F277 AromaticContact CD1-CD1 3.58Å; W267-F277 AromaticContact CD1-CG 3.48Å; W267-F277 VanDerWaalsContact CD1-CG 3.48Å; W267-F277 AromaticContact NE1-CD1 3.77Å; W267-F277 AromaticContact NE1-CG 3.79Å
268	W	98.2	Very high	96.4	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-68.8	-28.7	179.7	-162.6	-10.8	0	0	0	112.4	F118 E122 L124 V233 K235 L238 L264 F265 K266 N270	F118-W268 HydrophobicContact CD1-CD2 4.38Å; F118-W268 AromaticContact CD1-CE2 3.88Å; F118-W268 HydrophobicContact CD1-CZ2 4.2Å; F118-W268 AromaticContact CD1-NE1 3.72Å; F118-W268 AromaticContact CE1-CD1 3.66Å; F118-W268 AromaticContact CE1-CD2 3.45Å; F118-W268 HydrophobicContact CE1-CD2 3.45Å; F118-W268 VanDerWaalsContact CE1-CD2 3.45Å; F118-W268 AromaticContact CE1-CE2 3.36Å; F118-W268 AromaticContact CE1-CE3 3.93Å; F118-W268 HydrophobicContact CE1-CE3 3.93Å; F118-W268 AromaticContact CE1-CG 3.72Å; F118-W268 HydrophobicContact CE1-CG 3.72Å; F118-W268 HydrophobicContact CE1-CH2 4.25Å; F118-W268 AromaticContact CE1-CZ2 3.81Å; F118-W268 HydrophobicContact CE1-CZ2 3.81Å; F118-W268 HydrophobicContact CE1-CZ3 4.28Å; F118-W268 AromaticContact CE1-NE1 3.51Å; F118-W268 HydrophobicContact CZ-CD2 4.17Å; F118-W268 HydrophobicContact CZ-CE3 4.42Å; F118-W268 HydrophobicContact CZ-CG 4.24Å; E122-W268 VanDerWaalsContact O-CE2 3.27Å; E122-W268 VanDerWaalsContact O-CZ2 3.3Å; E122-W268 WeakPolarHBondContact O-CZ2 3.23Å; E122-W268 PolarHBondContact O-NE1 2.84Å; L124-W268 HydrophobicContact CB-CH2 3.29Å; L124-W268 HydrophobicContact CB-CZ2 3.78Å; L124-W268 HydrophobicContact CB-CZ3 3.74Å; L124-W268 HydrophobicContact CD2-CH2 4.25Å; L124-W268 HydrophobicContact CD2-CZ3 3.84Å; L124-W268 HydrophobicContact CG-CH2 4.42Å; L124-W268 HydrophobicContact CG-CZ3 4.47Å; V233-W268 HydrophobicContact CG2-CH2 4.28Å; V233-W268 WeakPolarHBondContact O-CH2 3.47Å; V233-W268 WeakPolarHBondContact O-CZ2 3.44Å; K235-W268 HydrophobicContact CD-CD2 4.34Å; K235-W268 HydrophobicContact CD-CG 4.21Å; K235-W268 WeakPolarHBondContact CE-O 3.4Å; K235-W268 HydrophobicContact CG-CD2 3.6Å; K235-W268 HydrophobicContact CG-CE3 4.01Å; K235-W268 HydrophobicContact CG-CG 3.99Å; K235-W268 HydrophobicContact CG-CH2 4.44Å; K235-W268 HydrophobicContact CG-CZ2 4.09Å; K235-W268 HydrophobicContact CG-CZ3 4.42Å; K235-W268 VanDerWaalsContact NZ-C 3.35Å; K235-W268 PolarHBondContact NZ-O 2.89Å; L238-W268 HydrophobicContact CB-CZ3 4.37Å; L238-W268 HydrophobicContact CD2-CE3 4.46Å; L238-W268 HydrophobicContact CD2-CZ3 3.64Å; L264-W268 HydrophobicContact CD1-CE3 4.49Å; L264-W268 HydrophobicContact CD2-CE3 4.43Å; L264-W268 HydrophobicContact CD2-CZ3 4.49Å; L264-W268 HydrophobicContact CG-CE3 4.13Å; L264-W268 WeakPolarHBondContact O-CB 3.09Å; L264-W268 PolarHBondContact O-N 2.8Å; F265-W268 PolarHBondContact O-N 3.46Å; K266-W268 VanDerWaalsContact C-N 3.34Å; W268-N270 PolarHBondContact O-N 3.25Å
269	D	97.7	Very high	96.5	Very high	99 Å²	99	59.4 Å²	59.4	53%	0.529	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.3	168.2	-70.2	-24.2	0	0	0	113	K235 F265 K266 W267	K235-D269 WeakPolarHBondContact CE-OD1 3.19Å; K235-D269 IonicContact NZ-OD1 2.72Å; K235-D269 PolarHBondContact NZ-OD1 2.91Å; F265-D269 VanDerWaalsContact O-CG 3.26Å; F265-D269 PolarHBondContact O-N 2.94Å; K266-D269 PolarHBondContact O-N 2.85Å; W267-D269 VanDerWaalsContact C-N 3.32Å; W267-D269 PolarHBondContact O-N 2.92Å
270	N	97.4	Very high	96.5	Very high	43 Å²	43	63.2 Å²	63.2	23%	0.23	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	32.3	-171.3	-62.4	-85.7	0	0	0	113.1	K266 W267 W268 H272 N273 L274 F277	K266-N270 PolarHBondContact O-ND2 3.18Å; W267-N270 CarbonylContact O-C 3.59Å; W267-N270 WeakPolarHBondContact O-CA 3.36Å; W267-N270 PolarHBondContact O-N 2.91Å; W268-N270 PolarHBondContact O-N 3.25Å; N270-H272 PolarHBondContact O-N 3.19Å; N270-H272 VanDerWaalsContact O-N 3.12Å; N270-N273 CarbonylContact O-C 3.59Å; N270-N273 PolarHBondContact O-N 3.08Å; N270-L274 PolarHBondContact O-N 3.01Å; N270-F277 HydrophobicContact CB-CD2 4.45Å; N270-F277 HydrophobicContact CB-CE2 3.41Å; N270-F277 VanDerWaalsContact CB-CE2 3.41Å; N270-F277 HydrophobicContact CB-CZ 3.89Å
271	L	95.9	Very high	96.5	Very high	14 Å²	14	68.3 Å²	68.3	7%	0.073	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-54.4	-33.6	-180	-68.5	-179.6	0	0	0	113.1	F118 E122 F213 W267 N273 L274	F118-L271 HydrophobicContact CB-CD1 4.16Å; F118-L271 HydrophobicContact CD1-CD1 3.76Å; F118-L271 HydrophobicContact CD1-CD2 4.39Å; F118-L271 HydrophobicContact CD2-CD1 4.32Å; F118-L271 HydrophobicContact CD2-CD2 3.83Å; F118-L271 HydrophobicContact CE1-CD1 4.27Å; F118-L271 HydrophobicContact CE1-CD2 4.32Å; F118-L271 HydrophobicContact CE2-CD2 3.77Å; F118-L271 HydrophobicContact CG-CD1 3.79Å; F118-L271 HydrophobicContact CG-CD2 4.14Å; F118-L271 HydrophobicContact CZ-CD2 4.01Å; E122-L271 HydrophobicContact CB-CD1 4Å; E122-L271 HydrophobicContact CG-CD1 4.1Å; F213-L271 HydrophobicContact CD1-CD2 4.1Å; F213-L271 HydrophobicContact CE1-CD2 4.07Å; W267-L271 PolarHBondContact O-N 3.04Å; W267-L271 VanDerWaalsContact O-N 3.16Å; L271-N273 PolarHBondContact O-N 3.4Å; L271-L274 HydrophobicContact CD2-CD2 4.41Å
272	H	93.7	Very high	96.6	Very high	154 Å²	154	67.6 Å²	67.6	71%	0.713	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-70.7	-14.1	177.1	63.5	-83.9	0	0	0	114.2	N270	N270-H272 PolarHBondContact O-N 3.19Å; N270-H272 VanDerWaalsContact O-N 3.12Å
273	N	94.8	Very high	96.8	Very high	50 Å²	50	65.5 Å²	65.5	27%	0.267	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-141.4	44	-174.9	-165.3	23.3	0	0	0	113	N270 L271 K275 E276	N270-N273 CarbonylContact O-C 3.59Å; N270-N273 PolarHBondContact O-N 3.08Å; L271-N273 PolarHBondContact O-N 3.4Å; N273-K275 PolarHBondContact O-N 3.44Å; N273-E276 WeakPolarHBondContact ND2-CG 3.49Å; N273-E276 PolarHBondContact ND2-OE1 2.95Å; N273-E276 PolarHBondContact O-N 2.86Å
274	L	94.8	Very high	96.8	Very high	19 Å²	19	66.2 Å²	66.2	10%	0.099	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-59.2	-18.1	179.7	-66.1	175.5	0	0	0	114.1	L190 F213 W267 N270 L271 E276 F277 M278	L190-L274 HydrophobicContact CD1-CB 4.35Å; L190-L274 HydrophobicContact CD1-CD1 4.32Å; L190-L274 HydrophobicContact CD2-CD2 4.31Å; F213-L274 HydrophobicContact CB-CD1 3.69Å; F213-L274 HydrophobicContact CD1-CD1 3.66Å; F213-L274 HydrophobicContact CD1-CD2 4.28Å; F213-L274 HydrophobicContact CE1-CD2 4.48Å; F213-L274 HydrophobicContact CG-CD1 3.91Å; W267-L274 HydrophobicContact CB-CD2 4.22Å; N270-L274 PolarHBondContact O-N 3.01Å; L271-L274 HydrophobicContact CD2-CD2 4.41Å; L274-E276 PolarHBondContact O-N 3.04Å; L274-F277 PolarHBondContact O-N 2.92Å; L274-M278 PolarHBondContact O-N 3.04Å
275	K	94.1	Very high	96.8	Very high	170 Å²	170	72.4 Å²	72.4	74%	0.739	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-57.4	-32.2	178.3	-68.2	-178.7	-179.2	175.9	0	113.3	N273 F277 M278	N273-K275 PolarHBondContact O-N 3.44Å; K275-F277 PolarHBondContact O-N 3.27Å; K275-M278 HydrophobicContact CB-SD 4.41Å; K275-M278 HydrophobicContact CG-SD 4.2Å; K275-M278 PolarHBondContact O-N 3.27Å
276	E	95.7	Very high	96.5	Very high	141 Å²	141	75.2 Å²	75.2	66%	0.659	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-68.4	-17.9	177.6	-70.6	-174.5	-179.5	0	0	113.5	N273 L274	N273-E276 WeakPolarHBondContact ND2-CG 3.49Å; N273-E276 PolarHBondContact ND2-OE1 2.95Å; N273-E276 PolarHBondContact O-N 2.86Å; L274-E276 PolarHBondContact O-N 3.04Å
277	F	96.6	Very high	96.4	Very high	34 Å²	34	72.4 Å²	72.4	15%	0.149	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-103.7	1	-179.5	-55.3	-81.6	0	0	0	113	K266 W267 N270 L274 K275 D279	K266-F277 HydrophobicContact CD-CD1 4.48Å; K266-F277 HydrophobicContact CD-CE1 3.74Å; K266-F277 HydrophobicContact CG-CE1 3.9Å; K266-F277 HydrophobicContact CG-CZ 4.3Å; W267-F277 AromaticContact CD1-CD1 3.58Å; W267-F277 AromaticContact CD1-CG 3.48Å; W267-F277 VanDerWaalsContact CD1-CG 3.48Å; W267-F277 AromaticContact NE1-CD1 3.77Å; W267-F277 AromaticContact NE1-CG 3.79Å; N270-F277 HydrophobicContact CB-CD2 4.45Å; N270-F277 HydrophobicContact CB-CE2 3.41Å; N270-F277 VanDerWaalsContact CB-CE2 3.41Å; N270-F277 HydrophobicContact CB-CZ 3.89Å; L274-F277 PolarHBondContact O-N 2.92Å; K275-F277 PolarHBondContact O-N 3.27Å; F277-D279 PolarHBondContact O-N 2.89Å
278	M	97.4	Very high	96.3	Very high	79 Å²	79	75.7 Å²	75.7	39%	0.389	37%	0.372	S	S	.	.			trans	-70	119.5	178.2	-69	177.2	74.6	0	0	110	T188 Y189 L190 L274 K275 H280	T188-M278 HydrophobicContact CG2-SD 4.27Å; Y189-M278 WeakPolarHBondContact O-CE 3.27Å; L190-M278 CarbonylContact O-C 3.6Å; L190-M278 VanDerWaalsContact O-CA 3.32Å; L190-M278 WeakPolarHBondContact O-CA 3.41Å; L274-M278 PolarHBondContact O-N 3.04Å; K275-M278 HydrophobicContact CB-SD 4.41Å; K275-M278 HydrophobicContact CG-SD 4.2Å; K275-M278 PolarHBondContact O-N 3.27Å; M278-H280 WeakPolarHBondContact CE-CE1 3.43Å; M278-H280 WeakPolarHBondContact CE-NE2 3.25Å
279	D	97.8	Very high	96.2	Very high	40 Å²	40	79.7 Å²	79.7	21%	0.214	39%	0.392	C	S	.	.			trans	-134.2	95.7	174.4	-173.8	-8.2	0	0	0	109.4	L190 T191 F277 S281 N282	L190-D279 PolarHBondContact O-N 2.8Å; T191-D279 WeakPolarHBondContact CA-O 3.34Å; T191-D279 PolarHBondContact OG1-O 2.92Å; F277-D279 PolarHBondContact O-N 2.89Å; D279-S281 PolarHBondContact OD1-N 2.95Å; D279-S281 VanDerWaalsContact OD1-N 3.1Å; D279-N282 VanDerWaalsContact CG-ND2 3.33Å; D279-N282 PolarHBondContact OD1-N 2.86Å; D279-N282 PolarHBondContact OD1-ND2 2.75Å; D279-N282 VanDerWaalsContact OD1-ND2 3.1Å; D279-N282 WeakPolarHBondContact OD2-CB 3.37Å; D279-N282 PolarHBondContact OD2-ND2 2.81Å
280	H	97.8	Very high	96.1	Very high	82 Å²	82	78.5 Å²	78.5	38%	0.38	38%	0.384	S	S	.	.	S	Bend	trans	-94.3	-3.6	179.9	-57.6	175.2	0	0	0	112.4	Y189 L190 R192 M278	Y189-H280 AromaticContact CD1-CD2 3.62Å; Y189-H280 AromaticContact CD1-CE1 3.53Å; Y189-H280 AromaticContact CD1-CG 3.98Å; Y189-H280 AromaticContact CD1-ND1 3.95Å; Y189-H280 AromaticContact CD1-NE2 3.33Å; Y189-H280 VanDerWaalsContact CD1-NE2 3.33Å; Y189-H280 WeakPolarHBondContact CD1-NE2 3.39Å; Y189-H280 HydrophobicContact CE1-CB 4.06Å; Y189-H280 AromaticContact CE1-CD2 3.34Å; Y189-H280 WeakPolarHBondContact CE1-CD2 3.34Å; Y189-H280 AromaticContact CE1-CE1 3.87Å; Y189-H280 AromaticContact CE1-CG 3.51Å; Y189-H280 AromaticContact CE1-ND1 3.86Å; Y189-H280 AromaticContact CE1-NE2 3.6Å; Y189-H280 AromaticContact CG-NE2 3.84Å; Y189-H280 AromaticContact CZ-CD2 3.79Å; Y189-H280 PolarHBondContact O-NE2 3.1Å; L190-H280 PolarHBondContact O-CD2 2.75Å; R192-H280 PolarHBondContact NH2-O 3.49Å; M278-H280 WeakPolarHBondContact CE-CE1 3.43Å; M278-H280 WeakPolarHBondContact CE-NE2 3.25Å
281	S	96	Very high	96.1	Very high	107 Å²	107	80.8 Å²	80.8	75%	0.748	39%	0.393	S	S	*	.	S	Bend	trans	-95.2	-37.5	-176.7	-62.2	0	0	0	0	111.6	D279	D279-S281 PolarHBondContact OD1-N 2.95Å; D279-S281 VanDerWaalsContact OD1-N 3.1Å
282	N	97.4	Very high	96.1	Very high	93 Å²	93	85.2 Å²	85.2	50%	0.497	42%	0.415	S	S	.	.			trans	-95.9	163.9	-178.6	-56	-69.2	0	0	0	112.3	D279	D279-N282 VanDerWaalsContact CG-ND2 3.33Å; D279-N282 PolarHBondContact OD1-N 2.86Å; D279-N282 PolarHBondContact OD1-ND2 2.75Å; D279-N282 VanDerWaalsContact OD1-ND2 3.1Å; D279-N282 WeakPolarHBondContact OD2-CB 3.37Å; D279-N282 PolarHBondContact OD2-ND2 2.81Å
283	I	98.5	Very high	96.2	Very high	28 Å²	28	80.3 Å²	80.3	14%	0.144	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.2	169.5	-62.5	157.6	0	0	0	105.9	D87 R192 H194 I208 R285	D87-I283 HydrophobicContact CB-CD1 4.1Å; R192-I283 HydrophobicContact CB-CG1 4.14Å; R192-I283 HydrophobicContact CB-CG2 4.4Å; H194-I283 HydrophobicContact CB-CG2 3.65Å; I208-I283 HydrophobicContact CD1-CD1 4.08Å; I208-I283 HydrophobicContact CG2-CG2 4.17Å; I283-R285 PolarHBondContact O-N 3.2Å
284	H	97.7	Very high	96.4	Very high	54 Å²	54	82.6 Å²	82.6	25%	0.25	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	122	177.8	-57	-80	0	0	0	109.1	T191 R192 I193 H194 F263	T191-H284 PolarHBondContact OG1-CD2 3.33Å; T191-H284 PolarHBondContact OG1-NE2 3.48Å; R192-H284 PolarHBondContact O-CD2 3.48Å; R192-H284 VanDerWaalsContact O-CD2 3.32Å; R192-H284 PolarHBondContact O-N 2.82Å; I193-H284 CarbonylContact C-O 3.58Å; I193-H284 VanDerWaalsContact CA-O 3.32Å; I193-H284 WeakPolarHBondContact CA-O 3.41Å; I193-H284 HydrophobicContact CG1-CB 4.26Å; H194-H284 PolarHBondContact N-O 3.18Å; F263-H284 HydrophobicContact CZ-CB 4.19Å; F263-H284 AromaticContact CZ-CG 3.94Å; F263-H284 AromaticContact CZ-ND1 3.99Å
285	R	97.1	Very high	96.5	Very high	129 Å²	129	87.9 Å²	87.9	49%	0.487	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.4	-178.6	-61.8	178.8	-176.4	-98	-7.1	109.4	E85 H194 I283	E85-R285 PolarHBondContact O-NH2 2.78Å; E85-R285 IonicContact OE2-CZ 2.94Å; E85-R285 IonicContact OE2-NH1 2.93Å; E85-R285 PolarHBondContact OE2-NH1 3.34Å; E85-R285 IonicContact OE2-NH2 3.42Å; H194-R285 HydrophobicContact CB-CG 4.25Å; H194-R285 PolarHBondContact ND1-NH1 3.4Å; I283-R285 PolarHBondContact O-N 3.2Å
286	M	91.8	Very high	96.7	Very high	98 Å²	98	80.5 Å²	80.5	48%	0.483	40%	0.4	S	S	.	.			trans	-142.1	0	-167.3	-60.2	-171.4	83.6	0	0	112.7	I193 H194 L258 T262 F263	I193-M286 HydrophobicContact CD1-SD 4.3Å; I193-M286 HydrophobicContact CG2-CB 4.36Å; I193-M286 HydrophobicContact CG2-CG 4.03Å; I193-M286 HydrophobicContact CG2-SD 3.64Å; H194-M286 PolarHBondContact O-N 2.59Å; L258-M286 HydrophobicContact CD1-CB 3.99Å; L258-M286 HydrophobicContact CD1-CE 3.66Å; L258-M286 HydrophobicContact CD1-SD 4.37Å; L258-M286 HydrophobicContact CD2-CB 3.54Å; L258-M286 HydrophobicContact CD2-CE 3.99Å; L258-M286 HydrophobicContact CD2-CG 4.17Å; L258-M286 HydrophobicContact CD2-SD 3.6Å; L258-M286 VanDerWaalsContact CD2-SD 3.6Å; L258-M286 HydrophobicContact CG-CB 4.12Å; L258-M286 HydrophobicContact CG-CE 3.48Å; L258-M286 VanDerWaalsContact CG-CE 3.48Å; L258-M286 HydrophobicContact CG-SD 3.79Å; T262-M286 HydrophobicContact CG2-CE 3.64Å; T262-M286 WeakPolarHBondContact OG1-CE 3.36Å; F263-M286 HydrophobicContact CD2-SD 4.48Å; F263-M286 HydrophobicContact CE2-CE 3.94Å; F263-M286 HydrophobicContact CE2-SD 3.55Å; F263-M286 VanDerWaalsContact CE2-SD 3.55Å; F263-M286 HydrophobicContact CZ-SD 4.27Å

Retrieved 286 of 286 residues in 525.7 ms (Link to these results)

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