A0A087Y5R6_POEFO Loading...

Peptidase inhibitor 15a

AlphaFold DB , UniProt , Accession A0A087Y5R6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 258 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	36.9	Very low	235 Å²	235	162.7 Å²	162.7	100%	1.158	84%	0.843	S	S	*	*				0	91.1	0	-171.6	173.9	80.6	0	0	109.6
2	K	35.8	Very low	36.4	Very low	207 Å²	207	160.1 Å²	160.1	90%	0.9	83%	0.83	S	S	*	*			trans	169.7	121.3	136	-96.6	-177.8	179.1	-179.5	0	108.3
3	L	34.8	Very low	36.6	Very low	148 Å²	148	159.5 Å²	159.5	78%	0.775	83%	0.827	S	S	*	*			trans	-76.9	146.5	179.5	-132.1	73.1	0	0	0	109.1	L5	L3-L5 HydrophobicContact CD2-CD1 3.66Å; L3-L5 HydrophobicContact CG-CD1 4.23Å
4	Q	42.3	Very low	36.3	Very low	180 Å²	180	155.9 Å²	155.9	84%	0.841	82%	0.821	S	S	*	*			trans	-145.3	109.5	154	-117.3	160.2	-25	0	0	110.2
5	L	38.3	Very low	36.9	Very low	132 Å²	132	156.4 Å²	156.4	69%	0.691	82%	0.822	S	S	*	*			trans	-74.5	143.7	167.3	-86.1	76.7	0	0	0	109.8	L3	L3-L5 HydrophobicContact CD2-CD1 3.66Å; L3-L5 HydrophobicContact CG-CD1 4.23Å
6	F	35	Very low	36.9	Very low	189 Å²	189	152.5 Å²	152.5	83%	0.829	81%	0.812	S	S	*	*			trans	-149.4	103.2	143.4	-73.9	-72.8	0	0	0	106.4
7	A	35.9	Very low	36.9	Very low	91 Å²	91	158.9 Å²	158.9	75%	0.752	82%	0.822	S	S	*	*				74	110.4	84.3	0	0	0	0	0	112.4
8	T	35.3	Very low	36.6	Very low	136 Å²	136	154.3 Å²	154.3	83%	0.834	82%	0.82	S	S	*	*			trans	-73.5	136.9	175.5	45.4	0	0	0	0	111.5
9	D	37.6	Very low	36.7	Very low	165 Å²	165	151.3 Å²	151.3	88%	0.882	82%	0.819	S	S	*	*			trans	-119.7	119.1	162.2	-87.2	-39.9	0	0	0	111.2
10	L	34.8	Very low	36.8	Very low	153 Å²	153	149.9 Å²	149.9	80%	0.801	82%	0.821	S	S	*	*			trans	-100.9	118.9	176.1	-166.9	85.2	0	0	0	106.3	L12	L10-L12 HydrophobicContact CD2-CD1 3.87Å; L10-L12 HydrophobicContact CG-CD1 4.33Å
11	L	37.2	Very low	36.8	Very low	154 Å²	154	147.3 Å²	147.3	81%	0.806	82%	0.819	S	S	*	*			trans	-118.2	97.3	173.3	-110.4	142.2	0	0	0	109.6
12	L	31.8	Very low	36.7	Very low	131 Å²	131	143.9 Å²	143.9	69%	0.686	81%	0.805	S	S	*	*			trans	-70.5	130.2	156.6	-90.8	94.5	0	0	0	108.7	L10	L10-L12 HydrophobicContact CD2-CD1 3.87Å; L10-L12 HydrophobicContact CG-CD1 4.33Å
13	L	38	Very low	36.6	Very low	153 Å²	153	138.7 Å²	138.7	80%	0.801	80%	0.801	S	S	*	*			trans	-125.3	105.1	157.4	-90.1	162.2	0	0	0	108.7
14	C	32.8	Very low	36.6	Very low	109 Å²	109	138 Å²	138	74%	0.736	80%	0.802	S	S	*	*			trans	-75.2	128.8	161.5	-66.8	0	0	0	0	108.9
15	I	45.1	Very low	36.4	Very low	163 Å²	163	135 Å²	135	84%	0.836	80%	0.801	S	S	*	*			trans	-135.2	120.6	153.2	-60.2	-178.3	0	0	0	108.4
16	S	37.4	Very low	36.6	Very low	94 Å²	94	135.2 Å²	135.2	66%	0.657	81%	0.808	S	S	*	*			trans	-91.7	142.3	173.9	51.5	0	0	0	0	111.6
17	W	36.3	Very low	36.9	Very low	262 Å²	262	131.8 Å²	131.8	99%	0.992	81%	0.805	S	S	*	*			trans	179.6	140.7	143.3	-87	-9	0	0	0	104.8
18	G	32.5	Very low	36.9	Very low	75 Å²	75	132.4 Å²	132.4	77%	0.773	81%	0.81	S	S	*	*			cis	146.2	129	25.5	0	0	0	0	0	104.4
19	A	37	Very low	36.8	Very low	98 Å²	98	130.8 Å²	130.8	81%	0.81	81%	0.811	S	S	*	*			trans	-62	157.4	-160.2	0	0	0	0	0	117.3
20	S	39.8	Very low	36.7	Very low	122 Å²	122	128.7 Å²	128.7	85%	0.853	81%	0.809	S	S	*	*				-171.4	125.1	126.3	-81.4	0	0	0	0	111.9
21	A	36.6	Very low	36.7	Very low	96 Å²	96	126.5 Å²	126.5	79%	0.793	81%	0.812	S	S	*	*			trans	-84	138.7	166.5	0	0	0	0	0	109.4
22	L	36.8	Very low	36.5	Very low	164 Å²	164	124.8 Å²	124.8	86%	0.859	81%	0.813	S	S	*	*			trans	-154.5	112.4	153.6	-101.7	139.5	0	0	0	108.4
23	A	33.7	Very low	36.8	Very low	97 Å²	97	123.2 Å²	123.2	80%	0.802	82%	0.82	S	S	*	*			trans	-73.5	136.1	170.8	0	0	0	0	0	109.7
24	T	34.4	Very low	36.9	Very low	133 Å²	133	121.9 Å²	121.9	82%	0.816	82%	0.82	S	S	*	*			trans	-128.6	117.5	162.2	48	0	0	0	0	109.6
25	S	37.5	Very low	37	Very low	117 Å²	117	120.5 Å²	120.5	82%	0.818	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-72.8	132.8	177.7	48.8	0	0	0	0	111.6
26	V	43.7	Very low	36.6	Very low	137 Å²	137	117.6 Å²	117.6	83%	0.83	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-91.9	125.2	169	-178	0	0	0	0	108.6
27	P	41.2	Very low	36.3	Very low	118 Å²	118	120.6 Å²	120.6	77%	0.766	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-87.7	131.2	169.5	16.6	-2.5	0	0	0	111
28	A	34.8	Very low	36.2	Very low	103 Å²	103	116 Å²	116	85%	0.851	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-74.3	134.1	165.4	0	0	0	0	0	109.9
29	A	34.8	Very low	36.3	Very low	103 Å²	103	118.8 Å²	118.8	85%	0.851	83%	0.829	S	S	*	*			trans	-121.5	104.7	170.5	0	0	0	0	0	109.7
30	S	34.5	Very low	36	Very low	121 Å²	121	117.2 Å²	117.2	85%	0.846	82%	0.822	S	S	*	*			trans	-75.6	128.5	162.2	48.1	0	0	0	0	109.8
31	A	35.6	Very low	35.7	Very low	106 Å²	106	120 Å²	120	88%	0.876	83%	0.826	S	S	*	*			trans	-121.8	108.9	170.2	0	0	0	0	0	110.1
32	S	33.2	Very low	35.5	Very low	118 Å²	118	119 Å²	119	83%	0.825	83%	0.825	S	S	*	*			trans	-76.9	141.2	169	47	0	0	0	0	111.2
33	A	37.4	Very low	35.4	Very low	99 Å²	99	116.3 Å²	116.3	82%	0.818	83%	0.827	S	S	*	*			trans	-68.1	160.6	173.1	0	0	0	0	0	113.2
34	P	39.8	Very low	35.3	Very low	124 Å²	124	116.8 Å²	116.8	81%	0.805	83%	0.831	S	S	*	*			trans	-116.3	138	147	33.9	-22.5	0	0	0	111.1
35	G	35	Very low	35.5	Very low	80 Å²	80	122.7 Å²	122.7	83%	0.825	84%	0.838	S	S	*	*			trans	-83	154.7	169.3	0	0	0	0	0	112.3
36	A	35.6	Very low	35.3	Very low	103 Å²	103	120.6 Å²	120.6	85%	0.851	83%	0.834	S	S	*	*			trans	-151.9	122.5	154.2	0	0	0	0	0	108.9
37	N	31.9	Very low	34.8	Very low	156 Å²	156	123.5 Å²	123.5	83%	0.834	84%	0.839	S	S	*	*			trans	-73.3	151.6	167.1	-81.6	-24.2	0	0	0	110.1
38	I	33.7	Very low	34.4	Very low	165 Å²	165	121.3 Å²	121.3	85%	0.846	84%	0.838	S	S	*	*				-178	147.6	115.6	-89.3	164	0	0	0	110.4
39	T	34.5	Very low	34.3	Very low	134 Å²	134	125.4 Å²	125.4	82%	0.822	84%	0.839	S	S	*	*			trans	-60	151.6	-170.1	48.5	0	0	0	0	118.5
40	G	32	Very low	34.5	Very low	65 Å²	65	123.7 Å²	123.7	67%	0.67	83%	0.832	S	S	*	*			trans	136	136.8	133.4	0	0	0	0	0	118
41	L	33.2	Very low	34.8	Very low	181 Å²	181	126.6 Å²	126.6	95%	0.948	83%	0.832	S	S	*	*			trans	84.2	104.8	165.6	-69.6	96.2	0	0	0	119.9
42	G	32.1	Very low	35.1	Very low	75 Å²	75	127.8 Å²	127.8	77%	0.773	83%	0.829	S	S	*	*				81.5	93.9	100.2	0	0	0	0	0	119.3
43	A	35.3	Very low	35.9	Very low	108 Å²	108	127.8 Å²	127.8	89%	0.893	82%	0.823	S	S	*	*			trans	41.8	112.4	140	0	0	0	0	0	120.8
44	A	30.8	Very low	36.4	Very low	106 Å²	106	127.4 Å²	127.4	88%	0.876	82%	0.815	S	S	*	*			trans	-160	137.9	135.1	0	0	0	0	0	111.3
45	R	39.9	Very low	36.7	Very low	258 Å²	258	130.7 Å²	130.7	97%	0.974	82%	0.816	S	S	*	*			trans	-57.3	134	178.6	-72.3	166.6	163.4	163.5	-6.9	112.3
46	G	32.1	Very low	37.5	Very low	72 Å²	72	132.8 Å²	132.8	74%	0.742	81%	0.813	S	S	*	*			trans	-139.7	115.4	161.8	0	0	0	0	0	109.3	G48	G46-G48 PolarHBondContact O-N 2.85Å
47	H	33.7	Very low	38.7	Very low	198 Å²	198	138.8 Å²	138.8	92%	0.917	81%	0.814	S	S	*	*			trans	-59.5	105.2	170.7	-98	-77.9	0	0	0	109	E49	H47-E49 PolarHBondContact O-N 3.34Å
48	G	31.6	Very low	40.3	Very low	73 Å²	73	138.2 Å²	138.2	75%	0.753	80%	0.8	S	S	*	*			trans	-78.5	102.6	166	0	0	0	0	0	108.9	G46 G50	G46-G48 PolarHBondContact O-N 2.85Å; G48-G50 PolarHBondContact O-N 2.8Å; G48-G50 VanDerWaalsContact O-N 3.16Å
49	E	34.7	Very low	42	Very low	188 Å²	188	139.4 Å²	139.4	88%	0.879	80%	0.799	S	S	*	*			trans	-57.7	114.1	161.5	-72.5	-179	145.8	0	0	107.9	H47 E51	H47-E49 PolarHBondContact O-N 3.34Å; E49-E51 VanDerWaalsContact C-N 3.35Å; E49-E51 PolarHBondContact O-N 3.48Å
50	G	37.5	Very low	43.9	Very low	67 Å²	67	137.9 Å²	137.9	69%	0.691	78%	0.778	S	S	*	*			trans	-66.8	97.9	167.2	0	0	0	0	0	108.3	G48 T52	G48-G50 PolarHBondContact O-N 2.8Å; G48-G50 VanDerWaalsContact O-N 3.16Å; G50-T52 PolarHBondContact O-N 3.3Å
51	E	41.1	Very low	46.2	Very low	183 Å²	183	139.2 Å²	139.2	86%	0.855	76%	0.763	S	S	*	*			trans	-58.5	92.2	159.7	-92.1	-171.9	146.7	0	0	107.8	E49 V53	E49-E51 VanDerWaalsContact C-N 3.35Å; E49-E51 PolarHBondContact O-N 3.48Å; E51-V53 PolarHBondContact O-N 3.19Å
52	T	41.5	Very low	49.1	Very low	131 Å²	131	131 Å²	131	80%	0.804	72%	0.721	S	S	*	*			trans	-67.1	91.2	162.4	45.3	0	0	0	0	106.3	G50 S54	G50-T52 PolarHBondContact O-N 3.3Å; T52-S54 PolarHBondContact O-N 3.05Å
53	V	50.1	Low	52	Low	118 Å²	118	130 Å²	130	72%	0.715	70%	0.702	S	S	*	*			trans	-59.8	93.3	164.9	178.9	0	0	0	0	106.2	E51 K55	E51-V53 PolarHBondContact O-N 3.19Å; V53-K55 VanDerWaalsContact C-N 3.28Å; V53-K55 PolarHBondContact O-N 2.75Å
54	S	47.4	Very low	54.8	Low	91 Å²	91	127.9 Å²	127.9	64%	0.636	67%	0.673	S	S	*	*			trans	-58.4	96.6	170.7	176.1	0	0	0	0	106.6	T52 T56	T52-S54 PolarHBondContact O-N 3.05Å; S54-T56 PolarHBondContact O-N 2.78Å
55	K	46.6	Very low	57.8	Low	193 Å²	193	128.7 Å²	128.7	84%	0.839	66%	0.663	S	S	*	*			trans	-66.3	78.6	165.7	-69.3	-178.4	-178.5	175.4	0	106.3	V53 R57	V53-K55 VanDerWaalsContact C-N 3.28Å; V53-K55 PolarHBondContact O-N 2.75Å; K55-R57 VanDerWaalsContact C-N 3.35Å; K55-R57 PolarHBondContact O-N 3.46Å
56	T	53.2	Low	60.5	Low	123 Å²	123	117.5 Å²	117.5	76%	0.755	62%	0.622	S	S	*	*			trans	-57.9	106.1	166.2	18.2	0	0	0	0	105.5	S54 R58	S54-T56 PolarHBondContact O-N 2.78Å; T56-R58 VanDerWaalsContact C-N 3.33Å; T56-R58 PolarHBondContact O-N 3.47Å
57	R	59.7	Low	63.6	Low	230 Å²	230	114.1 Å²	114.1	87%	0.868	59%	0.587	S	S	*	*			trans	-61.7	97.9	179.9	-162.5	176.7	-173.9	-178.3	1.7	106.4	K55 K59	K55-R57 VanDerWaalsContact C-N 3.35Å; K55-R57 PolarHBondContact O-N 3.46Å; R57-K59 PolarHBondContact O-N 2.98Å
58	R	65.6	Low	66.6	Low	144 Å²	144	107.3 Å²	107.3	54%	0.543	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-51.2	119.2	179.1	176.7	171.5	155.5	170.2	-10.8	107.4	T56 R60 E102 D103	T56-R58 VanDerWaalsContact C-N 3.33Å; T56-R58 PolarHBondContact O-N 3.47Å; R58-R60 PolarHBondContact O-N 3.38Å; R58-E102 IonicContact CZ-OE1 3.15Å; R58-E102 VanDerWaalsContact CZ-OE1 3.25Å; R58-E102 IonicContact NE-OE1 3.73Å; R58-E102 PolarHBondContact NE-OE1 3.22Å; R58-E102 VanDerWaalsContact NE-OE1 3.15Å; R58-E102 VanDerWaalsContact NH2-CD 3.27Å; R58-E102 IonicContact NH2-OE1 3.8Å; R58-E102 PolarHBondContact NH2-OE1 2.78Å; R58-E102 IonicContact NH2-OE2 2.62Å; R58-D103 IonicContact NH2-OD1 2.69Å
59	K	69.5	Low	69.8	Low	189 Å²	189	105.1 Å²	105.1	82%	0.822	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-63.2	118.7	179.9	-173.3	176	-179.5	179.1	0	107.7	R57	R57-K59 PolarHBondContact O-N 2.98Å
60	R	74.6	Confident	72.8	Confident	102 Å²	102	96.2 Å²	96.2	39%	0.385	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-60.2	139.7	175.7	-64.9	-178.8	-179	171.8	-2.3	109.2	R58 I62 E95 K258	R58-R60 PolarHBondContact O-N 3.38Å; R60-I62 WeakPolarHBondContact CB-O 3.24Å; R60-I62 PolarHBondContact O-N 3.08Å; R60-E95 IonicContact CZ-OE1 3.78Å; R60-E95 IonicContact NH1-OE1 3.73Å; R60-E95 IonicContact NH2-OE1 2.85Å; R60-K258 PolarHBondContact NH2-O 2.95Å
61	Y	81.3	Confident	75.7	Confident	93 Å²	93	93.2 Å²	93.2	37%	0.365	46%	0.458	S	S	.	.	S	Bend	trans	-76.2	-11.6	179	-84.3	-93.6	0	0	0	114	E102 H106 V188 H189	Y61-E102 HydrophobicContact CD2-CG 3.41Å; Y61-E102 VanDerWaalsContact CD2-CG 3.41Å; Y61-E102 WeakPolarHBondContact CD2-OE1 3.35Å; Y61-E102 HydrophobicContact CE2-CG 4Å; Y61-E102 WeakPolarHBondContact CE2-OE1 3.1Å; Y61-E102 HydrophobicContact CG-CG 3.78Å; Y61-H106 AromaticContact CD1-NE2 3.45Å; Y61-H106 WeakPolarHBondContact CD1-NE2 3.2Å; Y61-H106 AromaticContact CE1-CD2 3.92Å; Y61-H106 AromaticContact CE1-CE1 3.57Å; Y61-H106 AromaticContact CE1-NE2 2.8Å; Y61-H106 WeakPolarHBondContact CE1-NE2 3.5Å; Y61-H106 AromaticContact CE2-NE2 3.55Å; Y61-H106 AromaticContact CZ-CD2 3.91Å; Y61-H106 AromaticContact CZ-CE1 3.42Å; Y61-H106 VanDerWaalsContact CZ-CE1 3.42Å; Y61-H106 AromaticContact CZ-NE2 2.8Å; Y61-H106 PolarHBondContact OH-CE1 3.42Å; Y61-H106 PolarHBondContact OH-NE2 2.91Å; Y61-V188 VanDerWaalsContact O-CG1 3.27Å; Y61-V188 WeakPolarHBondContact O-CG1 3.49Å; Y61-V188 VanDerWaalsContact O-O 3.1Å; Y61-H189 AromaticContact CD1-ND1 3.86Å; Y61-H189 AromaticContact CE1-ND1 3.68Å
62	I	92.7	Very high	78.5	Confident	10 Å²	10	88.7 Å²	88.7	5%	0.051	44%	0.44	C	S	.	.	S	Bend	trans	-121.2	141.3	170.1	-168.6	161.5	0	0	0	109.7	R60 D66 M67 I70 W93 C186 V188	R60-I62 WeakPolarHBondContact CB-O 3.24Å; R60-I62 PolarHBondContact O-N 3.08Å; I62-D66 HydrophobicContact CD1-CB 3.95Å; I62-D66 HydrophobicContact CG1-CB 3.57Å; I62-M67 HydrophobicContact CB-CG 4.45Å; I62-M67 HydrophobicContact CD1-CG 4.46Å; I62-M67 HydrophobicContact CG1-CG 4.17Å; I62-M67 HydrophobicContact CG2-CG 3.57Å; I62-M67 HydrophobicContact CG2-SD 4.01Å; I62-I70 HydrophobicContact CD1-CD1 3.46Å; I62-I70 VanDerWaalsContact CD1-CD1 3.46Å; I62-W93 HydrophobicContact CD1-CH2 4.3Å; I62-W93 HydrophobicContact CG2-CH2 4.32Å; I62-W93 HydrophobicContact CG2-CZ2 4.15Å; I62-C186 HydrophobicContact CD1-CB 4.31Å; I62-C186 WeakPolarHBondContact CG2-O 3.49Å; I62-V188 HydrophobicContact CB-CG1 4.48Å; I62-V188 HydrophobicContact CG1-CG1 4.45Å
63	S	93.5	Very high	81.2	Confident	54 Å²	54	83.9 Å²	83.9	38%	0.378	41%	0.407	S	S	.	.			trans	-76.2	154.3	178.2	80.3	0	0	0	0	111	N65 D66 M67	S63-N65 PolarHBondContact O-N 3.07Å; S63-D66 PolarHBondContact O-N 3.39Å; S63-D66 VanDerWaalsContact O-N 3.07Å; S63-D66 WeakPolarHBondContact OG-CB 3.46Å; S63-D66 PolarHBondContact OG-N 3.13Å; S63-D66 VanDerWaalsContact OG-N 3.11Å; S63-D66 PolarHBondContact OG-OD2 3.28Å; S63-M67 VanDerWaalsContact O-CG 3.31Å; S63-M67 WeakPolarHBondContact O-CG 3.44Å; S63-M67 PolarHBondContact O-N 2.85Å
64	Q	93.2	Very high	83.5	Confident	62 Å²	62	78.2 Å²	78.2	29%	0.29	37%	0.373	S	S	.	.	H	α-helix	trans	-57.1	-37.4	176.2	-172.4	59.5	47.3	0	0	112.4	M67 I68	Q64-M67 PolarHBondContact O-N 3.24Å; Q64-I68 HydrophobicContact CG-CD1 4.22Å; Q64-I68 VanDerWaalsContact O-CG1 3.32Å; Q64-I68 WeakPolarHBondContact O-CG1 3.13Å; Q64-I68 PolarHBondContact O-N 3.34Å; Q64-I68 VanDerWaalsContact O-N 3.07Å
65	N	94.8	Very high	86	Confident	124 Å²	124	74.3 Å²	74.3	66%	0.663	35%	0.345	S	S	*	.	H	α-helix	trans	-66.8	-39.6	177.3	-68.2	-13.2	0	0	0	111.6	S63 A69	S63-N65 PolarHBondContact O-N 3.07Å; N65-A69 VanDerWaalsContact O-CB 3.3Å; N65-A69 WeakPolarHBondContact O-CB 3.4Å; N65-A69 PolarHBondContact O-N 3.1Å
66	D	96.6	Very high	88.4	Confident	23 Å²	23	70.3 Å²	70.3	12%	0.123	33%	0.328	C	S	.	.	H	α-helix	trans	-69.6	-39	176.9	-65.2	-42.3	0	0	0	111.4	I62 S63 I68 A69 I70 I135	I62-D66 HydrophobicContact CD1-CB 3.95Å; I62-D66 HydrophobicContact CG1-CB 3.57Å; S63-D66 PolarHBondContact O-N 3.39Å; S63-D66 VanDerWaalsContact O-N 3.07Å; S63-D66 WeakPolarHBondContact OG-CB 3.46Å; S63-D66 PolarHBondContact OG-N 3.13Å; S63-D66 VanDerWaalsContact OG-N 3.11Å; S63-D66 PolarHBondContact OG-OD2 3.28Å; D66-I68 PolarHBondContact O-N 2.93Å; D66-A69 PolarHBondContact O-N 3.21Å; D66-I70 WeakPolarHBondContact O-CB 3.31Å; D66-I70 VanDerWaalsContact O-CG1 3.24Å; D66-I70 WeakPolarHBondContact O-CG1 3.46Å; D66-I70 PolarHBondContact O-N 3.05Å; D66-I135 HydrophobicContact CB-CB 3.91Å; D66-I135 HydrophobicContact CB-CG1 4.13Å; D66-I135 HydrophobicContact CB-CG2 3.81Å; D66-I135 WeakPolarHBondContact OD1-CB 3.36Å; D66-I135 WeakPolarHBondContact OD1-CG2 3.26Å
67	M	96.6	Very high	90.6	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56.2	-50.7	173.4	-66.7	167.6	57	0	0	111.3	I62 S63 Q64 I70 L71 W93 F257	I62-M67 HydrophobicContact CB-CG 4.45Å; I62-M67 HydrophobicContact CD1-CG 4.46Å; I62-M67 HydrophobicContact CG1-CG 4.17Å; I62-M67 HydrophobicContact CG2-CG 3.57Å; I62-M67 HydrophobicContact CG2-SD 4.01Å; S63-M67 VanDerWaalsContact O-CG 3.31Å; S63-M67 WeakPolarHBondContact O-CG 3.44Å; S63-M67 PolarHBondContact O-N 2.85Å; Q64-M67 PolarHBondContact O-N 3.24Å; M67-I70 PolarHBondContact O-N 3.14Å; M67-L71 WeakPolarHBondContact O-CB 3.38Å; M67-L71 PolarHBondContact O-N 3.38Å; M67-W93 HydrophobicContact CB-CD2 4.48Å; M67-W93 HydrophobicContact CB-CE3 4.35Å; M67-W93 HydrophobicContact CB-CH2 4.19Å; M67-W93 HydrophobicContact CB-CZ2 4.35Å; M67-W93 HydrophobicContact CB-CZ3 4.2Å; M67-W93 HydrophobicContact CE-CD2 4.01Å; M67-W93 HydrophobicContact CE-CG 4.08Å; M67-W93 HydrophobicContact CE-CZ2 3.99Å; M67-W93 VanDerWaalsContact CE-NE1 3.25Å; M67-W93 HydrophobicContact CG-CH2 3.75Å; M67-W93 HydrophobicContact CG-CZ2 3.65Å; M67-W93 HydrophobicContact CG-CZ3 4.28Å; M67-W93 HydrophobicContact SD-CZ2 4.28Å; M67-F257 HydrophobicContact CE-CD1 4.07Å; M67-F257 HydrophobicContact CE-CE1 4.26Å
68	I	97.1	Very high	92.5	Very high	56 Å²	56	54.1 Å²	54.1	29%	0.287	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-48.3	177.4	-68.2	164.7	0	0	0	110	Q64 D66 I70 L71 D72 F257	Q64-I68 HydrophobicContact CG-CD1 4.22Å; Q64-I68 VanDerWaalsContact O-CG1 3.32Å; Q64-I68 WeakPolarHBondContact O-CG1 3.13Å; Q64-I68 PolarHBondContact O-N 3.34Å; Q64-I68 VanDerWaalsContact O-N 3.07Å; D66-I68 PolarHBondContact O-N 2.93Å; I68-I70 VanDerWaalsContact C-N 3.35Å; I68-I70 PolarHBondContact O-N 3.27Å; I68-L71 PolarHBondContact O-N 2.95Å; I68-D72 WeakPolarHBondContact CG2-OD2 3.34Å; I68-D72 VanDerWaalsContact O-CB 3.32Å; I68-D72 WeakPolarHBondContact O-CB 3.41Å; I68-D72 VanDerWaalsContact O-CG 3.3Å; I68-D72 PolarHBondContact O-N 2.98Å; I68-F257 HydrophobicContact CD1-CE2 4.37Å; I68-F257 HydrophobicContact CG1-CE1 4.21Å; I68-F257 HydrophobicContact CG1-CE2 3.81Å; I68-F257 HydrophobicContact CG1-CZ 3.59Å
69	A	98.3	Very high	94	Very high	27 Å²	27	47.6 Å²	47.6	22%	0.223	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-41.9	-179.1	0	0	0	0	0	112.7	N65 D66 Y73 I135 L136	N65-A69 VanDerWaalsContact O-CB 3.3Å; N65-A69 WeakPolarHBondContact O-CB 3.4Å; N65-A69 PolarHBondContact O-N 3.1Å; D66-A69 PolarHBondContact O-N 3.21Å; A69-Y73 WeakPolarHBondContact O-CB 3.43Å; A69-Y73 PolarHBondContact O-N 3.32Å; A69-I135 HydrophobicContact CB-CG2 3.95Å; A69-L136 HydrophobicContact CB-CD2 4.43Å; A69-L136 HydrophobicContact CB-CG 4.47Å
70	I	98.7	Very high	95.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-51.6	175.3	-69.4	176.1	0	0	0	110.1	I62 D66 M67 I68 Y73 H74 W93 I135 V139 I184 C186 L207	I62-I70 HydrophobicContact CD1-CD1 3.46Å; I62-I70 VanDerWaalsContact CD1-CD1 3.46Å; D66-I70 WeakPolarHBondContact O-CB 3.31Å; D66-I70 VanDerWaalsContact O-CG1 3.24Å; D66-I70 WeakPolarHBondContact O-CG1 3.46Å; D66-I70 PolarHBondContact O-N 3.05Å; M67-I70 PolarHBondContact O-N 3.14Å; I68-I70 VanDerWaalsContact C-N 3.35Å; I68-I70 PolarHBondContact O-N 3.27Å; I70-Y73 PolarHBondContact O-N 2.8Å; I70-H74 PolarHBondContact O-N 2.03Å; I70-H74 PolarHBondContact O-ND1 2.92Å; I70-W93 HydrophobicContact CG2-CZ3 4.5Å; I70-I135 HydrophobicContact CD1-CG1 3.84Å; I70-I135 HydrophobicContact CG1-CG1 4.01Å; I70-I135 HydrophobicContact CG1-CG2 3.96Å; I70-V139 HydrophobicContact CG1-CG2 4.09Å; I70-I184 HydrophobicContact CG2-CD1 3.92Å; I70-C186 HydrophobicContact CD1-CB 3.91Å; I70-L207 HydrophobicContact CD1-CD1 4.28Å
71	L	98.5	Very high	96.5	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-47.1	-175.2	-174.7	63.5	0	0	0	111.6	M67 I68 Y73 H74 N75 M91 W93 I184 F257	M67-L71 WeakPolarHBondContact O-CB 3.38Å; M67-L71 PolarHBondContact O-N 3.38Å; I68-L71 PolarHBondContact O-N 2.95Å; L71-Y73 VanDerWaalsContact C-N 3.32Å; L71-Y73 PolarHBondContact O-N 2.78Å; L71-H74 PolarHBondContact O-N 3.34Å; L71-N75 PolarHBondContact O-N 3.16Å; L71-N75 PolarHBondContact O-ND2 2.74Å; L71-M91 HydrophobicContact CD1-CB 4.39Å; L71-M91 HydrophobicContact CD1-CG 4.12Å; L71-M91 WeakPolarHBondContact CD1-O 3.03Å; L71-W93 HydrophobicContact CD2-CB 4.34Å; L71-I184 HydrophobicContact CD1-CG2 3.76Å; L71-F257 HydrophobicContact CD2-CZ 4.26Å
72	D	98.4	Very high	97.3	Very high	88 Å²	88	46.6 Å²	46.6	47%	0.471	23%	0.229	S	C	.	.	H	α-helix	trans	-62.3	-40.8	178.2	-73.5	-8.8	0	0	0	111.2	I68 N75 K76	I68-D72 WeakPolarHBondContact CG2-OD2 3.34Å; I68-D72 VanDerWaalsContact O-CB 3.32Å; I68-D72 WeakPolarHBondContact O-CB 3.41Å; I68-D72 VanDerWaalsContact O-CG 3.3Å; I68-D72 PolarHBondContact O-N 2.98Å; D72-N75 PolarHBondContact O-N 2.84Å; D72-K76 WeakPolarHBondContact O-CB 3.44Å; D72-K76 PolarHBondContact O-N 3.28Å
73	Y	98.8	Very high	97.6	Very high	29 Å²	29	46.5 Å²	46.5	11%	0.114	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-41.4	177.5	-171.2	-104.9	0	0	0	112	A69 I70 L71 K76 V77 L136 V139 K140 Y143 M176	A69-Y73 WeakPolarHBondContact O-CB 3.43Å; A69-Y73 PolarHBondContact O-N 3.32Å; I70-Y73 PolarHBondContact O-N 2.8Å; L71-Y73 VanDerWaalsContact C-N 3.32Å; L71-Y73 PolarHBondContact O-N 2.78Å; Y73-K76 PolarHBondContact O-N 3.1Å; Y73-V77 HydrophobicContact CD1-CG2 4.31Å; Y73-V77 HydrophobicContact CE1-CG2 3.91Å; Y73-V77 HydrophobicContact CE2-CG2 4.39Å; Y73-V77 WeakPolarHBondContact O-CG2 3.16Å; Y73-V77 PolarHBondContact O-N 3.11Å; Y73-L136 HydrophobicContact CD1-CD2 4.3Å; Y73-L136 HydrophobicContact CD2-CD1 4.49Å; Y73-L136 HydrophobicContact CD2-CD2 4.31Å; Y73-L136 HydrophobicContact CG-CD2 3.82Å; Y73-V139 HydrophobicContact CD1-CB 4.46Å; Y73-V139 HydrophobicContact CD1-CG1 3.61Å; Y73-V139 HydrophobicContact CE1-CG1 4.05Å; Y73-K140 HydrophobicContact CE1-CG 4.09Å; Y73-K140 HydrophobicContact CE2-CG 4.08Å; Y73-Y143 WeakPolarHBondContact OH-CB 3.29Å; Y73-Y143 WeakPolarHBondContact OH-CD1 3.12Å; Y73-M176 HydrophobicContact CD1-CE 3.91Å; Y73-M176 HydrophobicContact CE1-CE 3.88Å
74	H	98.9	Very high	97.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-51.8	174.5	-80.2	76.4	0	0	0	111.4	I70 L71 K76 V77 R78 M91 I184 Y211	I70-H74 PolarHBondContact O-N 2.03Å; I70-H74 PolarHBondContact O-ND1 2.92Å; L71-H74 PolarHBondContact O-N 3.34Å; H74-K76 VanDerWaalsContact C-N 3.3Å; H74-K76 PolarHBondContact O-N 3.02Å; H74-V77 PolarHBondContact O-N 3.29Å; H74-V77 VanDerWaalsContact O-N 3.16Å; H74-R78 WeakPolarHBondContact O-CB 3.38Å; H74-R78 WeakPolarHBondContact O-CG 3.44Å; H74-R78 PolarHBondContact O-N 2.92Å; H74-M91 HydrophobicContact CB-SD 3.78Å; H74-I184 VanDerWaalsContact CE1-CD1 3.46Å; H74-I184 WeakPolarHBondContact CE1-CD1 2.95Å; H74-I184 WeakPolarHBondContact NE2-CD1 3.4Å; H74-Y211 AromaticContact CD2-CE1 3.82Å; H74-Y211 AromaticContact NE2-CE1 3.63Å; H74-Y211 AromaticContact NE2-CZ 3.62Å; H74-Y211 PolarHBondContact NE2-OH 2.67Å
75	N	98.7	Very high	98.1	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.043	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-34.2	179.6	-77.2	-40.2	0	0	0	112.6	L71 D72 R78 G79 Y90 M91 M244	L71-N75 PolarHBondContact O-N 3.16Å; L71-N75 PolarHBondContact O-ND2 2.74Å; D72-N75 PolarHBondContact O-N 2.84Å; N75-R78 PolarHBondContact O-N 2.96Å; N75-G79 PolarHBondContact O-N 2.9Å; N75-Y90 HydrophobicContact CB-CE2 4.07Å; N75-Y90 WeakPolarHBondContact ND2-CE2 3.02Å; N75-Y90 VanDerWaalsContact ND2-CZ 3.3Å; N75-Y90 PolarHBondContact ND2-OH 3.18Å; N75-M91 PolarHBondContact ND2-O 3.18Å; N75-M91 VanDerWaalsContact OD1-CB 3.29Å; N75-M91 WeakPolarHBondContact OD1-CB 3.44Å; N75-M91 PolarHBondContact OD1-N 3.48Å; N75-M244 HydrophobicContact CB-CE 4.17Å; N75-M244 HydrophobicContact CB-SD 4.36Å; N75-M244 WeakPolarHBondContact O-CE 2.94Å
76	K	98.6	Very high	98.3	Very high	110 Å²	110	38.2 Å²	38.2	48%	0.478	19%	0.187	S	C	.	.	H	α-helix	trans	-62.3	-44.1	172.3	180	180	178.2	179.2	0	112.3	D72 Y73 H74 R80	D72-K76 WeakPolarHBondContact O-CB 3.44Å; D72-K76 PolarHBondContact O-N 3.28Å; Y73-K76 PolarHBondContact O-N 3.1Å; H74-K76 VanDerWaalsContact C-N 3.3Å; H74-K76 PolarHBondContact O-N 3.02Å; K76-R80 WeakPolarHBondContact O-CB 3.47Å; K76-R80 WeakPolarHBondContact O-CD 3.46Å; K76-R80 VanDerWaalsContact O-CG 3.3Å; K76-R80 WeakPolarHBondContact O-CG 3.32Å
77	V	98.7	Very high	98.3	Very high	10 Å²	10	38 Å²	38	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-47.7	177.3	167.3	0	0	0	0	110.2	Y73 H74 G79 R80 V81 Y143 Y173 M176 V177	Y73-V77 HydrophobicContact CD1-CG2 4.31Å; Y73-V77 HydrophobicContact CE1-CG2 3.91Å; Y73-V77 HydrophobicContact CE2-CG2 4.39Å; Y73-V77 WeakPolarHBondContact O-CG2 3.16Å; Y73-V77 PolarHBondContact O-N 3.11Å; H74-V77 PolarHBondContact O-N 3.29Å; H74-V77 VanDerWaalsContact O-N 3.16Å; V77-G79 PolarHBondContact O-N 3.05Å; V77-R80 PolarHBondContact O-N 2.95Å; V77-R80 VanDerWaalsContact O-N 3.1Å; V77-V81 WeakPolarHBondContact O-CG1 3.28Å; V77-V81 PolarHBondContact O-N 3.42Å; V77-Y143 HydrophobicContact CB-CD2 4.22Å; V77-Y143 HydrophobicContact CG1-CD2 3.47Å; V77-Y143 VanDerWaalsContact CG1-CD2 3.47Å; V77-Y143 HydrophobicContact CG1-CE2 3.83Å; V77-Y143 HydrophobicContact CG1-CG 4.49Å; V77-Y143 HydrophobicContact CG2-CD2 3.64Å; V77-Y143 HydrophobicContact CG2-CE2 4.11Å; V77-Y143 HydrophobicContact CG2-CG 3.99Å; V77-Y173 HydrophobicContact CG1-CE2 4.48Å; V77-M176 HydrophobicContact CG2-CE 4.3Å; V77-V177 HydrophobicContact CG1-CG1 3.67Å
78	R	98.8	Very high	98.4	Very high	2 Å²	2	38 Å²	38	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-58.6	-42.2	179.9	-70.3	170.2	75.7	76.9	-1.5	113.2	H74 N75 R80 M88 E89 M176 W178 A179 S181 M244	H74-R78 WeakPolarHBondContact O-CB 3.38Å; H74-R78 WeakPolarHBondContact O-CG 3.44Å; H74-R78 PolarHBondContact O-N 2.92Å; N75-R78 PolarHBondContact O-N 2.96Å; R78-R80 PolarHBondContact O-N 2.03Å; R78-M88 HydrophobicContact CB-CG 3.88Å; R78-M88 HydrophobicContact CB-SD 3.86Å; R78-M88 HydrophobicContact CG-SD 3.94Å; R78-M88 PolarHBondContact NH2-SD 3.41Å; R78-M88 VanDerWaalsContact NH2-SD 3.36Å; R78-E89 PolarHBondContact NE-O 2.87Å; R78-E89 VanDerWaalsContact NE-O 3.1Å; R78-E89 PolarHBondContact NH2-O 2.91Å; R78-M176 VanDerWaalsContact CG-O 3.31Å; R78-M176 WeakPolarHBondContact CG-O 3.49Å; R78-M176 PolarHBondContact NH1-O 3.34Å; R78-W178 PolarHBondContact NH1-O 3.21Å; R78-W178 PolarHBondContact NH2-O 3.23Å; R78-W178 VanDerWaalsContact NH2-O 3.12Å; R78-A179 PolarHBondContact NH2-O 3.1Å; R78-S181 PolarHBondContact NH2-O 3.21Å; R78-M244 HydrophobicContact CB-SD 3.76Å
79	G	98.3	Very high	98.5	Very high	8 Å²	8	36.4 Å²	36.4	8%	0.082	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-4	178.3	0	0	0	0	0	115.3	N75 V77 N242 N243	N75-G79 PolarHBondContact O-N 2.9Å; V77-G79 PolarHBondContact O-N 3.05Å; G79-N242 WeakPolarHBondContact CA-O 3.27Å; G79-N243 PolarHBondContact O-ND2 2.84Å
80	R	98.3	Very high	98.5	Very high	182 Å²	182	37.1 Å²	37.1	69%	0.687	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.5	14.8	-174.5	-64.9	-179.3	-178.9	-160.3	-3.1	113.7	K76 V77 R78	K76-R80 WeakPolarHBondContact O-CB 3.47Å; K76-R80 WeakPolarHBondContact O-CD 3.46Å; K76-R80 VanDerWaalsContact O-CG 3.3Å; K76-R80 WeakPolarHBondContact O-CG 3.32Å; V77-R80 PolarHBondContact O-N 2.95Å; V77-R80 VanDerWaalsContact O-N 3.1Å; R78-R80 PolarHBondContact O-N 2.03Å
81	V	98.7	Very high	98.4	Very high	18 Å²	18	37.1 Å²	37.1	11%	0.109	17%	0.174	C	C	.	.			trans	-62.9	147.8	179.5	-62.5	0	0	0	0	111.7	V77 A85 M88 V177 Y223	V77-V81 WeakPolarHBondContact O-CG1 3.28Å; V77-V81 PolarHBondContact O-N 3.42Å; V81-A85 HydrophobicContact CG2-CB 3.78Å; V81-M88 HydrophobicContact CG1-CE 4.19Å; V81-M88 HydrophobicContact CG2-CE 4.05Å; V81-V177 HydrophobicContact CG1-CB 3.88Å; V81-V177 HydrophobicContact CG1-CG1 3.45Å; V81-V177 VanDerWaalsContact CG1-CG1 3.45Å; V81-Y223 HydrophobicContact CB-CE1 4.04Å; V81-Y223 HydrophobicContact CG1-CE1 4.22Å; V81-Y223 HydrophobicContact CG2-CE1 4.04Å; V81-Y223 HydrophobicContact CG2-CE2 4.19Å
82	F	97.6	Very high	98.4	Very high	163 Å²	163	37.8 Å²	37.8	72%	0.715	18%	0.178	S	C	*	.	S	Bend	trans	-128.5	130.2	169.1	-174.8	-94.9	0	0	0	109.3	Y223	F82-Y223 PolarHBondContact O-OH 2.94Å
83	P	98.3	Very high	98.3	Very high	7 Å²	7	34.2 Å²	34.2	5%	0.045	16%	0.158	C	C	.	.	S	Bend	cis	-63.2	158.4	-2.5	28.5	-36.8	0	0	0	113	F151 Y153 Y223 V225	P83-F151 HydrophobicContact CG-CB 4.12Å; P83-F151 HydrophobicContact CG-CD1 3.59Å; P83-F151 HydrophobicContact CG-CD2 4.21Å; P83-F151 HydrophobicContact CG-CE1 4.08Å; P83-F151 HydrophobicContact CG-CG 3.68Å; P83-Y153 HydrophobicContact CB-CE1 4.29Å; P83-Y153 HydrophobicContact CG-CE1 4.17Å; P83-Y223 HydrophobicContact CG-CE2 4.36Å; P83-Y223 WeakPolarHBondContact O-CE2 3.25Å; P83-Y223 PolarHBondContact O-OH 3.46Å; P83-V225 HydrophobicContact CB-CG1 3.97Å; P83-V225 HydrophobicContact CB-CG2 4.16Å; P83-V225 HydrophobicContact CG-CG1 4.37Å; P83-V225 HydrophobicContact CG-CG2 3.64Å
84	P	98.5	Very high	98.2	Very high	55 Å²	55	34.1 Å²	34.1	36%	0.357	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-61.6	143.4	-179.1	-22.9	34	0	0	0	112.6	V225 G226 P228	P84-V225 WeakPolarHBondContact O-CA 3.25Å; P84-G226 CarbonylContact C-O 3.54Å; P84-G226 WeakPolarHBondContact CB-O 3.42Å; P84-G226 PolarHBondContact O-N 2.96Å; P84-P228 HydrophobicContact CB-CG 4.21Å
85	A	98.7	Very high	98.1	Very high	5 Å²	5	37.6 Å²	37.6	4%	0.041	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-99.8	126.1	-177.1	0	0	0	0	0	111.7	V81 M88 Y223 K224 P228	V81-A85 HydrophobicContact CG2-CB 3.78Å; A85-M88 HydrophobicContact CB-CB 3.87Å; A85-M88 HydrophobicContact CB-CE 3.77Å; A85-Y223 HydrophobicContact CB-CD1 4.46Å; A85-Y223 HydrophobicContact CB-CD2 3.4Å; A85-Y223 VanDerWaalsContact CB-CD2 3.4Å; A85-Y223 HydrophobicContact CB-CE2 3.91Å; A85-Y223 HydrophobicContact CB-CG 3.71Å; A85-K224 CarbonylContact C-O 3.51Å; A85-K224 WeakPolarHBondContact CA-O 3.29Å; A85-P228 WeakPolarHBondContact O-CA 3.28Å
86	S	98.5	Very high	97.9	Very high	7 Å²	7	42.1 Å²	42.1	5%	0.049	20%	0.204	C	C	.	.	S	Bend	trans	-81.3	-19.3	178.7	54.4	0	0	0	0	114.3	K224 V227 C229 S230 A231	S86-K224 PolarHBondContact N-O 3.27Å; S86-K224 WeakPolarHBondContact OG-CB 3.47Å; S86-K224 PolarHBondContact OG-O 3.24Å; S86-K224 VanDerWaalsContact OG-O 3.13Å; S86-V227 VanDerWaalsContact CA-O 3.31Å; S86-V227 WeakPolarHBondContact CA-O 3.02Å; S86-V227 WeakPolarHBondContact CB-O 3.46Å; S86-C229 CarbonylContact O-C 3.46Å; S86-C229 VanDerWaalsContact O-C 3.28Å; S86-C229 VanDerWaalsContact O-CA 3.3Å; S86-C229 WeakPolarHBondContact O-CA 3.3Å; S86-C229 PolarHBondContact O-N 3.47Å; S86-S230 VanDerWaalsContact CB-OG 3.28Å; S86-S230 WeakPolarHBondContact CB-OG 3.31Å; S86-S230 PolarHBondContact O-N 3.1Å; S86-A231 CarbonylContact O-C 3.55Å; S86-A231 WeakPolarHBondContact O-CA 2.99Å; S86-A231 PolarHBondContact O-N 2.89Å
87	N	98.4	Very high	97.9	Very high	19 Å²	19	37.4 Å²	37.4	10%	0.102	18%	0.184	C	C	.	.	S	Bend	trans	-127	19.9	-171.5	73.3	-38.1	0	0	0	114.3	E89 K224 A231	N87-E89 PolarHBondContact O-N 2.69Å; N87-K224 PolarHBondContact OD1-N 3.38Å; N87-A231 HydrophobicContact CB-CB 4.15Å; N87-A231 VanDerWaalsContact CB-O 3.32Å; N87-A231 WeakPolarHBondContact CB-O 3.31Å
88	M	98.8	Very high	97.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.			trans	-67.3	113	-176	-173.3	66.6	65.2	0	0	111.2	R78 V81 A85 V177 A179 Y223 M244 C245	R78-M88 HydrophobicContact CB-CG 3.88Å; R78-M88 HydrophobicContact CB-SD 3.86Å; R78-M88 HydrophobicContact CG-SD 3.94Å; R78-M88 PolarHBondContact NH2-SD 3.41Å; R78-M88 VanDerWaalsContact NH2-SD 3.36Å; V81-M88 HydrophobicContact CG1-CE 4.19Å; V81-M88 HydrophobicContact CG2-CE 4.05Å; A85-M88 HydrophobicContact CB-CB 3.87Å; A85-M88 HydrophobicContact CB-CE 3.77Å; M88-V177 HydrophobicContact CE-CB 4.38Å; M88-V177 WeakPolarHBondContact CE-O 3.18Å; M88-A179 HydrophobicContact SD-CB 4.46Å; M88-Y223 HydrophobicContact CE-CD1 3.73Å; M88-Y223 HydrophobicContact CE-CE1 4.37Å; M88-Y223 HydrophobicContact CE-CG 4.03Å; M88-M244 HydrophobicContact CB-CG 4.3Å; M88-M244 HydrophobicContact CG-CG 3.81Å; M88-M244 CarbonylContact O-C 3.54Å; M88-M244 VanDerWaalsContact O-CA 3.24Å; M88-M244 WeakPolarHBondContact O-CA 3.38Å; M88-M244 WeakPolarHBondContact O-CB 3.32Å; M88-C245 PolarHBondContact O-N 3.45Å; M88-C245 PolarHBondContact O-SG 3.14Å
89	E	98.4	Very high	97.7	Very high	21 Å²	21	42.8 Å²	42.8	10%	0.098	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-78.6	143.1	178.6	-61.5	-174.9	-147.7	0	0	112.1	R78 N87 M91 A179 N182 Y236	R78-E89 PolarHBondContact NE-O 2.87Å; R78-E89 VanDerWaalsContact NE-O 3.1Å; R78-E89 PolarHBondContact NH2-O 2.91Å; N87-E89 PolarHBondContact O-N 2.69Å; E89-M91 PolarHBondContact O-N 3.36Å; E89-A179 VanDerWaalsContact CB-O 3.22Å; E89-A179 WeakPolarHBondContact CB-O 3.44Å; E89-A179 WeakPolarHBondContact CG-O 3.37Å; E89-A179 PolarHBondContact N-O 3.24Å; E89-N182 HydrophobicContact CB-CB 3.86Å; E89-N182 PolarHBondContact OE2-ND2 2.8Å; E89-Y236 HydrophobicContact CB-CE2 4.4Å; E89-Y236 WeakPolarHBondContact CB-OH 3.27Å; E89-Y236 HydrophobicContact CG-CE2 3.75Å; E89-Y236 WeakPolarHBondContact OE2-CE2 3.3Å; E89-Y236 PolarHBondContact OE2-OH 3.36Å
90	Y	97.6	Very high	97.7	Very high	42 Å²	42	43.9 Å²	43.9	17%	0.165	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-66.6	130.2	172.9	-174.6	-95.8	0	0	0	110.3	N75 V92 M244 C245 F246	N75-Y90 HydrophobicContact CB-CE2 4.07Å; N75-Y90 WeakPolarHBondContact ND2-CE2 3.02Å; N75-Y90 VanDerWaalsContact ND2-CZ 3.3Å; N75-Y90 PolarHBondContact ND2-OH 3.18Å; Y90-V92 HydrophobicContact CD1-CG1 3.91Å; Y90-V92 HydrophobicContact CE1-CG1 4.12Å; Y90-M244 HydrophobicContact CD2-CE 3.95Å; Y90-M244 HydrophobicContact CD2-SD 4.23Å; Y90-M244 HydrophobicContact CE2-CE 4.33Å; Y90-C245 VanDerWaalsContact CB-O 3.31Å; Y90-C245 WeakPolarHBondContact CB-O 3.44Å; Y90-C245 PolarHBondContact N-O 3.31Å; Y90-F246 AromaticContact CD1-CD2 4Å; Y90-F246 HydrophobicContact CD1-CD2 4Å; Y90-F246 AromaticContact CD1-CE2 3.74Å; Y90-F246 HydrophobicContact CD1-CE2 3.74Å; Y90-F246 AromaticContact CD2-CD2 3.48Å; Y90-F246 HydrophobicContact CD2-CD2 3.48Å; Y90-F246 VanDerWaalsContact CD2-CD2 3.48Å; Y90-F246 AromaticContact CD2-CE2 3.62Å; Y90-F246 HydrophobicContact CD2-CE2 3.62Å; Y90-F246 HydrophobicContact CE1-CD2 4.44Å; Y90-F246 AromaticContact CE1-CE2 3.76Å; Y90-F246 HydrophobicContact CE1-CE2 3.76Å; Y90-F246 AromaticContact CE2-CD2 3.96Å; Y90-F246 HydrophobicContact CE2-CD2 3.96Å; Y90-F246 AromaticContact CE2-CE2 3.63Å; Y90-F246 HydrophobicContact CE2-CE2 3.63Å; Y90-F246 AromaticContact CG-CD2 3.49Å; Y90-F246 HydrophobicContact CG-CD2 3.49Å; Y90-F246 VanDerWaalsContact CG-CD2 3.49Å; Y90-F246 AromaticContact CG-CE2 3.67Å; Y90-F246 HydrophobicContact CG-CE2 3.67Å; Y90-F246 AromaticContact CZ-CE2 3.7Å
91	M	97.8	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-88.1	138.6	-178.1	-171.6	176.9	-79.2	0	0	110.9	L71 H74 N75 E89 S181 N182 I184 Y211	L71-M91 HydrophobicContact CD1-CB 4.39Å; L71-M91 HydrophobicContact CD1-CG 4.12Å; L71-M91 WeakPolarHBondContact CD1-O 3.03Å; H74-M91 HydrophobicContact CB-SD 3.78Å; N75-M91 PolarHBondContact ND2-O 3.18Å; N75-M91 VanDerWaalsContact OD1-CB 3.29Å; N75-M91 WeakPolarHBondContact OD1-CB 3.44Å; N75-M91 PolarHBondContact OD1-N 3.48Å; E89-M91 PolarHBondContact O-N 3.36Å; M91-S181 WeakPolarHBondContact CE-O 3.32Å; M91-N182 CarbonylContact C-O 3.28Å; M91-N182 VanDerWaalsContact CA-O 3.29Å; M91-N182 WeakPolarHBondContact CA-O 3.48Å; M91-I184 HydrophobicContact CG-CB 4.11Å; M91-I184 HydrophobicContact CG-CG2 3.77Å; M91-I184 HydrophobicContact SD-CB 3.62Å; M91-I184 HydrophobicContact SD-CD1 4.17Å; M91-I184 HydrophobicContact SD-CG1 4.46Å; M91-I184 HydrophobicContact SD-CG2 3.57Å; M91-I184 VanDerWaalsContact SD-CG2 3.57Å; M91-Y211 HydrophobicContact CE-CD1 3.87Å; M91-Y211 HydrophobicContact CE-CE1 4.03Å; M91-Y211 HydrophobicContact SD-CE1 4.41Å
92	V	97.1	Very high	97.6	Very high	19 Å²	19	35.3 Å²	35.3	12%	0.115	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	157.8	178.3	-54.7	0	0	0	0	111	Y90 N182 K183 I184 W256	Y90-V92 HydrophobicContact CD1-CG1 3.91Å; Y90-V92 HydrophobicContact CE1-CG1 4.12Å; V92-N182 WeakPolarHBondContact CG2-O 3.37Å; V92-N182 PolarHBondContact N-O 3.24Å; V92-K183 HydrophobicContact CG2-CG 3.92Å; V92-K183 WeakPolarHBondContact O-CA 3.33Å; V92-I184 PolarHBondContact O-N 3.33Å; V92-W256 HydrophobicContact CB-CD2 4.41Å; V92-W256 HydrophobicContact CB-CE3 3.74Å; V92-W256 HydrophobicContact CB-CH2 3.99Å; V92-W256 HydrophobicContact CB-CZ3 3.5Å; V92-W256 VanDerWaalsContact CB-CZ3 3.5Å; V92-W256 HydrophobicContact CG1-CD2 4.41Å; V92-W256 HydrophobicContact CG1-CE3 3.99Å; V92-W256 HydrophobicContact CG1-CH2 3.37Å; V92-W256 HydrophobicContact CG1-CZ2 3.79Å; V92-W256 HydrophobicContact CG1-CZ3 3.46Å; V92-W256 VanDerWaalsContact CG1-CZ3 3.46Å; V92-W256 HydrophobicContact CG2-CE3 4.39Å; V92-W256 HydrophobicContact CG2-CH2 4.47Å; V92-W256 HydrophobicContact CG2-CZ3 3.85Å
93	W	97.5	Very high	97.5	Very high	14 Å²	14	31.9 Å²	31.9	5%	0.053	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	139.1	174.1	-168.8	-96	0	0	0	111.1	I62 M67 I70 L71 E95 A98 I184 C186 F257	I62-W93 HydrophobicContact CD1-CH2 4.3Å; I62-W93 HydrophobicContact CG2-CH2 4.32Å; I62-W93 HydrophobicContact CG2-CZ2 4.15Å; M67-W93 HydrophobicContact CB-CD2 4.48Å; M67-W93 HydrophobicContact CB-CE3 4.35Å; M67-W93 HydrophobicContact CB-CH2 4.19Å; M67-W93 HydrophobicContact CB-CZ2 4.35Å; M67-W93 HydrophobicContact CB-CZ3 4.2Å; M67-W93 HydrophobicContact CE-CD2 4.01Å; M67-W93 HydrophobicContact CE-CG 4.08Å; M67-W93 HydrophobicContact CE-CZ2 3.99Å; M67-W93 VanDerWaalsContact CE-NE1 3.25Å; M67-W93 HydrophobicContact CG-CH2 3.75Å; M67-W93 HydrophobicContact CG-CZ2 3.65Å; M67-W93 HydrophobicContact CG-CZ3 4.28Å; M67-W93 HydrophobicContact SD-CZ2 4.28Å; I70-W93 HydrophobicContact CG2-CZ3 4.5Å; L71-W93 HydrophobicContact CD2-CB 4.34Å; W93-E95 PolarHBondContact NE1-OE2 2.98Å; W93-E95 VanDerWaalsContact NE1-OE2 3.12Å; W93-A98 HydrophobicContact CZ2-CB 3.57Å; W93-I184 CarbonylContact C-O 3.5Å; W93-I184 WeakPolarHBondContact CA-O 3.38Å; W93-I184 HydrophobicContact CE3-CG2 4.25Å; W93-C186 HydrophobicContact CH2-CB 3.8Å; W93-C186 HydrophobicContact CZ3-CB 4.29Å; W93-F257 HydrophobicContact CB-CE1 4.36Å
94	D	97.2	Very high	97.5	Very high	27 Å²	27	32.9 Å²	32.9	14%	0.144	17%	0.171	C	C	.	.			trans	-126.5	113.8	174.1	-170.6	-63.7	0	0	0	110	T96 L97 A98 K183 I184	D94-T96 PolarHBondContact O-N 3.48Å; D94-T96 WeakPolarHBondContact OD1-CA 3.32Å; D94-T96 WeakPolarHBondContact OD1-CB 3.43Å; D94-T96 PolarHBondContact OD1-N 3.35Å; D94-L97 HydrophobicContact CB-CB 4.18Å; D94-L97 HydrophobicContact CB-CD1 3.89Å; D94-L97 HydrophobicContact CB-CG 3.89Å; D94-L97 WeakPolarHBondContact O-CB 3.18Å; D94-L97 PolarHBondContact O-N 2.98Å; D94-L97 PolarHBondContact OD1-N 3.45Å; D94-L97 VanDerWaalsContact OD1-N 3.1Å; D94-A98 PolarHBondContact O-N 3.26Å; D94-K183 HydrophobicContact CB-CB 4.05Å; D94-K183 HydrophobicContact CB-CD 4.35Å; D94-K183 HydrophobicContact CB-CG 4.34Å; D94-K183 WeakPolarHBondContact OD2-CD 3.37Å; D94-K183 IonicContact OD2-NZ 3.51Å; D94-K183 PolarHBondContact OD2-NZ 3.08Å; D94-I184 PolarHBondContact N-O 2.93Å
95	E	95.4	Very high	97.5	Very high	73 Å²	73	30.3 Å²	30.3	34%	0.341	16%	0.155	S	C	.	.	H	α-helix	trans	-66.9	-24.3	-177.2	-64.4	-69.3	-169.4	0	0	112.9	R60 W93 A98 K99	R60-E95 IonicContact CZ-OE1 3.78Å; R60-E95 IonicContact NH1-OE1 3.73Å; R60-E95 IonicContact NH2-OE1 2.85Å; W93-E95 PolarHBondContact NE1-OE2 2.98Å; W93-E95 VanDerWaalsContact NE1-OE2 3.12Å; E95-A98 PolarHBondContact O-N 3.05Å; E95-K99 WeakPolarHBondContact O-CB 3.4Å; E95-K99 PolarHBondContact O-N 2.92Å
96	T	95.8	Very high	97.4	Very high	102 Å²	102	33.6 Å²	33.6	63%	0.626	17%	0.169	S	C	*	.	H	α-helix	trans	-71.9	-39.9	175.4	-51.9	0	0	0	0	110.3	D94 A98 K99 T100	D94-T96 PolarHBondContact O-N 3.48Å; D94-T96 WeakPolarHBondContact OD1-CA 3.32Å; D94-T96 WeakPolarHBondContact OD1-CB 3.43Å; D94-T96 PolarHBondContact OD1-N 3.35Å; T96-A98 VanDerWaalsContact C-N 3.35Å; T96-K99 PolarHBondContact O-N 3.3Å; T96-T100 WeakPolarHBondContact O-CG2 3.19Å; T96-T100 PolarHBondContact O-N 3.11Å; T96-T100 VanDerWaalsContact O-N 3.12Å; T96-T100 PolarHBondContact O-OG1 3.28Å
97	L	97.9	Very high	97.3	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-40	171.8	-62.9	-176.4	0	0	0	111.8	D94 T100 A101 L121 K183 N210	D94-L97 HydrophobicContact CB-CB 4.18Å; D94-L97 HydrophobicContact CB-CD1 3.89Å; D94-L97 HydrophobicContact CB-CG 3.89Å; D94-L97 WeakPolarHBondContact O-CB 3.18Å; D94-L97 PolarHBondContact O-N 2.98Å; D94-L97 PolarHBondContact OD1-N 3.45Å; D94-L97 VanDerWaalsContact OD1-N 3.1Å; L97-T100 PolarHBondContact O-N 3.04Å; L97-T100 PolarHBondContact O-OG1 3.23Å; L97-A101 WeakPolarHBondContact O-CB 3.45Å; L97-A101 PolarHBondContact O-N 3.43Å; L97-L121 HydrophobicContact CD2-CD1 3.91Å; L97-L121 HydrophobicContact CD2-CD2 3.54Å; L97-L121 HydrophobicContact CD2-CG 4.36Å; L97-K183 HydrophobicContact CD1-CB 3.86Å; L97-N210 HydrophobicContact CB-CB 4.14Å; L97-N210 HydrophobicContact CD2-CB 4.3Å; L97-N210 PolarHBondContact O-ND2 3.34Å
98	A	97.8	Very high	97.2	Very high	7 Å²	7	35.7 Å²	35.7	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-41.8	178	0	0	0	0	0	111.9	W93 D94 E95 T96 A101 E102	W93-A98 HydrophobicContact CZ2-CB 3.57Å; D94-A98 PolarHBondContact O-N 3.26Å; E95-A98 PolarHBondContact O-N 3.05Å; T96-A98 VanDerWaalsContact C-N 3.35Å; A98-A101 WeakPolarHBondContact O-CB 3.49Å; A98-A101 PolarHBondContact O-N 2.66Å; A98-E102 WeakPolarHBondContact O-CB 3.46Å; A98-E102 PolarHBondContact O-N 2.87Å
99	K	96	Very high	97.1	Very high	117 Å²	117	39.3 Å²	39.3	51%	0.509	21%	0.207	S	C	.	.	H	α-helix	trans	-62.8	-43.7	175.8	-174.6	176.4	178.1	-175.9	0	112.4	E95 T96 A101 E102 D103	E95-K99 WeakPolarHBondContact O-CB 3.4Å; E95-K99 PolarHBondContact O-N 2.92Å; T96-K99 PolarHBondContact O-N 3.3Å; K99-A101 VanDerWaalsContact C-N 3.32Å; K99-A101 PolarHBondContact O-N 3.16Å; K99-E102 WeakPolarHBondContact O-CB 3.49Å; K99-E102 PolarHBondContact O-N 2.93Å; K99-D103 PolarHBondContact O-N 3.07Å
100	T	96.6	Very high	97.1	Very high	31 Å²	31	41.4 Å²	41.4	19%	0.19	21%	0.214	C	C	.	.	H	α-helix	trans	-68.8	-33.1	176.8	53.7	0	0	0	0	112.2	T96 L97 E102 W104 L117 N210	T96-T100 WeakPolarHBondContact O-CG2 3.19Å; T96-T100 PolarHBondContact O-N 3.11Å; T96-T100 VanDerWaalsContact O-N 3.12Å; T96-T100 PolarHBondContact O-OG1 3.28Å; L97-T100 PolarHBondContact O-N 3.04Å; L97-T100 PolarHBondContact O-OG1 3.23Å; T100-E102 VanDerWaalsContact C-N 3.34Å; T100-W104 PolarHBondContact O-N 3.33Å; T100-L117 HydrophobicContact CG2-CD1 3.97Å; T100-N210 PolarHBondContact OG1-ND2 2.75Å; T100-N210 VanDerWaalsContact OG1-ND2 3.08Å
101	A	98.3	Very high	97.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-37.4	172.1	0	0	0	0	0	111.9	L97 A98 K99 W104 A105 A187 V208 N210	L97-A101 WeakPolarHBondContact O-CB 3.45Å; L97-A101 PolarHBondContact O-N 3.43Å; A98-A101 WeakPolarHBondContact O-CB 3.49Å; A98-A101 PolarHBondContact O-N 2.66Å; K99-A101 VanDerWaalsContact C-N 3.32Å; K99-A101 PolarHBondContact O-N 3.16Å; A101-W104 PolarHBondContact O-N 2.8Å; A101-A105 VanDerWaalsContact O-CB 3.29Å; A101-A105 WeakPolarHBondContact O-CB 3.36Å; A101-A105 PolarHBondContact O-N 3.43Å; A101-A187 HydrophobicContact CB-CB 4.14Å; A101-V208 HydrophobicContact CB-CB 4.15Å; A101-V208 HydrophobicContact CB-CG1 3.9Å; A101-N210 PolarHBondContact N-ND2 2.99Å
102	E	97.3	Very high	97.1	Very high	21 Å²	21	48.9 Å²	48.9	10%	0.098	25%	0.25	C	C	.	.	H	α-helix	trans	-62.1	-50.1	175.1	177.5	-176.9	154.9	0	0	111.5	R58 Y61 A98 K99 T100 W104 A105 H106 A187	R58-E102 IonicContact CZ-OE1 3.15Å; R58-E102 VanDerWaalsContact CZ-OE1 3.25Å; R58-E102 IonicContact NE-OE1 3.73Å; R58-E102 PolarHBondContact NE-OE1 3.22Å; R58-E102 VanDerWaalsContact NE-OE1 3.15Å; R58-E102 VanDerWaalsContact NH2-CD 3.27Å; R58-E102 IonicContact NH2-OE1 3.8Å; R58-E102 PolarHBondContact NH2-OE1 2.78Å; R58-E102 IonicContact NH2-OE2 2.62Å; Y61-E102 HydrophobicContact CD2-CG 3.41Å; Y61-E102 VanDerWaalsContact CD2-CG 3.41Å; Y61-E102 WeakPolarHBondContact CD2-OE1 3.35Å; Y61-E102 HydrophobicContact CE2-CG 4Å; Y61-E102 WeakPolarHBondContact CE2-OE1 3.1Å; Y61-E102 HydrophobicContact CG-CG 3.78Å; A98-E102 WeakPolarHBondContact O-CB 3.46Å; A98-E102 PolarHBondContact O-N 2.87Å; K99-E102 WeakPolarHBondContact O-CB 3.49Å; K99-E102 PolarHBondContact O-N 2.93Å; T100-E102 VanDerWaalsContact C-N 3.34Å; E102-W104 PolarHBondContact O-N 3.44Å; E102-A105 PolarHBondContact O-N 2.99Å; E102-H106 PolarHBondContact O-CD2 3.09Å; E102-H106 PolarHBondContact O-N 3.04Å; E102-A187 HydrophobicContact CB-CB 3.69Å; E102-A187 VanDerWaalsContact N-CB 3.27Å
103	D	96.3	Very high	97.1	Very high	90 Å²	90	48 Å²	48	48%	0.481	25%	0.245	S	C	.	.	H	α-helix	trans	-58.9	-37.1	179	-63.7	-24.6	0	0	0	111.1	R58 K99	R58-D103 IonicContact NH2-OD1 2.69Å; K99-D103 PolarHBondContact O-N 3.07Å
104	W	98	Very high	97	Very high	29 Å²	29	48.5 Å²	48.5	11%	0.11	25%	0.25	C	C	.	.	H	α-helix	trans	-75.6	-41.9	176.4	-165.3	-112.5	0	0	0	113.7	T100 A101 E102 H106 A107 L109 E111 G113 P114 V208	T100-W104 PolarHBondContact O-N 3.33Å; A101-W104 PolarHBondContact O-N 2.8Å; E102-W104 PolarHBondContact O-N 3.44Å; W104-H106 PolarHBondContact O-N 2.9Å; W104-A107 WeakPolarHBondContact O-CB 3.36Å; W104-A107 PolarHBondContact O-N 3.07Å; W104-L109 HydrophobicContact CH2-CD1 4.38Å; W104-E111 HydrophobicContact CZ2-CG 3.87Å; W104-E111 PolarHBondContact NE1-O 2.03Å; W104-G113 VanDerWaalsContact CE2-N 3.31Å; W104-P114 HydrophobicContact CE3-CB 3.95Å; W104-P114 HydrophobicContact CE3-CG 4.4Å; W104-P114 HydrophobicContact CZ3-CB 3.79Å; W104-V208 HydrophobicContact CB-CG1 4.47Å
105	A	97.8	Very high	97	Very high	1 Å²	1	52 Å²	52	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-32.3	177.5	0	0	0	0	0	111.6	A101 E102 A107 C108 A187 H189 Y206 V208	A101-A105 VanDerWaalsContact O-CB 3.29Å; A101-A105 WeakPolarHBondContact O-CB 3.36Å; A101-A105 PolarHBondContact O-N 3.43Å; E102-A105 PolarHBondContact O-N 2.99Å; A105-A107 VanDerWaalsContact C-N 3.3Å; A105-A107 PolarHBondContact O-N 3.44Å; A105-C108 PolarHBondContact O-N 3.1Å; A105-A187 HydrophobicContact CB-CB 4.42Å; A105-H189 HydrophobicContact CB-CB 3.84Å; A105-Y206 HydrophobicContact CB-CD1 4.39Å; A105-V208 HydrophobicContact CB-CB 4.35Å; A105-V208 HydrophobicContact CB-CG2 3.75Å
106	H	96.4	Very high	97	Very high	73 Å²	73	54.8 Å²	54.8	34%	0.338	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.2	174.6	-101.4	-90.1	0	0	0	115.2	Y61 E102 W104 C108 H189	Y61-H106 AromaticContact CD1-NE2 3.45Å; Y61-H106 WeakPolarHBondContact CD1-NE2 3.2Å; Y61-H106 AromaticContact CE1-CD2 3.92Å; Y61-H106 AromaticContact CE1-CE1 3.57Å; Y61-H106 AromaticContact CE1-NE2 2.8Å; Y61-H106 WeakPolarHBondContact CE1-NE2 3.5Å; Y61-H106 AromaticContact CE2-NE2 3.55Å; Y61-H106 AromaticContact CZ-CD2 3.91Å; Y61-H106 AromaticContact CZ-CE1 3.42Å; Y61-H106 VanDerWaalsContact CZ-CE1 3.42Å; Y61-H106 AromaticContact CZ-NE2 2.8Å; Y61-H106 PolarHBondContact OH-CE1 3.42Å; Y61-H106 PolarHBondContact OH-NE2 2.91Å; E102-H106 PolarHBondContact O-CD2 3.09Å; E102-H106 PolarHBondContact O-N 3.04Å; W104-H106 PolarHBondContact O-N 2.9Å; H106-C108 PolarHBondContact O-N 3.3Å; H106-H189 AromaticContact CD2-ND1 3.66Å; H106-H189 AromaticContact CE1-CE1 3.36Å; H106-H189 PolarHBondContact CE1-CE1 2.87Å; H106-H189 AromaticContact CE1-ND1 3.55Å; H106-H189 AromaticContact ND1-CE1 3.86Å; H106-H189 AromaticContact NE2-CE1 3.51Å; H106-H189 AromaticContact NE2-ND1 3.18Å; H106-H189 PolarHBondContact NE2-ND1 3.46Å; H106-H189 VanDerWaalsContact NE2-ND1 3.18Å
107	A	96.7	Very high	97	Very high	46 Å²	46	52.1 Å²	52.1	38%	0.38	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.3	-179.6	0	0	0	0	0	111.8	W104 A105 L109	W104-A107 WeakPolarHBondContact O-CB 3.36Å; W104-A107 PolarHBondContact O-N 3.07Å; A105-A107 VanDerWaalsContact C-N 3.3Å; A105-A107 PolarHBondContact O-N 3.44Å; A107-L109 HydrophobicContact CB-CD1 4.04Å; A107-L109 HydrophobicContact CB-CG 3.99Å; A107-L109 WeakPolarHBondContact O-CG 3.48Å; A107-L109 PolarHBondContact O-N 3.32Å
108	C	97	Very high	96.8	Very high	25 Å²	25	53.5 Å²	53.5	17%	0.169	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	38.6	-179	-70.8	0	0	0	0	113.2	A105 H106 H189 C191 M194	A105-C108 PolarHBondContact O-N 3.1Å; H106-C108 PolarHBondContact O-N 3.3Å; C108-H189 VanDerWaalsContact SG-CD2 3.58Å; C108-C191 WeakPolarHBondContact CA-SG 3.47Å; C108-C191 HydrophobicContact CB-CB 3.68Å; C108-C191 WeakPolarHBondContact CB-SG 3.49Å; C108-C191 WeakPolarHBondContact SG-CA 3.41Å; C108-C191 WeakPolarHBondContact SG-CB 3.46Å; C108-C191 CovalentContact SG-SG 2.03Å; C108-C191 PolarHBondContact SG-SG 2.92Å; C108-M194 WeakPolarHBondContact O-CG 3.45Å
109	L	97.1	Very high	96.6	Very high	76 Å²	76	62.1 Å²	62.1	40%	0.398	31%	0.307	S	S	.	.			trans	-106.2	124.9	176.4	-57.4	176.3	0	0	0	109.3	W104 A107 E111 M194 Y206	W104-L109 HydrophobicContact CH2-CD1 4.38Å; A107-L109 HydrophobicContact CB-CD1 4.04Å; A107-L109 HydrophobicContact CB-CG 3.99Å; A107-L109 WeakPolarHBondContact O-CG 3.48Å; A107-L109 PolarHBondContact O-N 3.32Å; L109-E111 HydrophobicContact CB-CG 4.13Å; L109-E111 PolarHBondContact O-N 3.18Å; L109-M194 VanDerWaalsContact C-CE 3.44Å; L109-Y206 WeakPolarHBondContact O-CE1 3.22Å; L109-Y206 PolarHBondContact O-OH 2.83Å
110	W	97.8	Very high	96.6	Very high	64 Å²	64	62.2 Å²	62.2	24%	0.242	31%	0.308	C	S	.	.	S	Bend	trans	-81.9	64.3	177	-173.1	-118	0	0	0	110.8	L125 V127 M194 N195 V196 W197 Y206	W110-L125 HydrophobicContact CH2-CB 3.92Å; W110-L125 HydrophobicContact CZ3-CB 3.76Å; W110-V127 HydrophobicContact CD2-CG1 4Å; W110-V127 HydrophobicContact CE3-CB 3.82Å; W110-V127 HydrophobicContact CE3-CG1 3.71Å; W110-V127 HydrophobicContact CH2-CB 4.05Å; W110-V127 HydrophobicContact CH2-CG1 3.57Å; W110-V127 HydrophobicContact CZ2-CG1 3.84Å; W110-V127 HydrophobicContact CZ3-CB 3.52Å; W110-V127 HydrophobicContact CZ3-CG1 3.48Å; W110-V127 VanDerWaalsContact CZ3-CG1 3.48Å; W110-M194 HydrophobicContact CB-CE 3.76Å; W110-M194 HydrophobicContact CE3-CE 3.95Å; W110-N195 VanDerWaalsContact CB-O 3.24Å; W110-N195 WeakPolarHBondContact CB-O 3.41Å; W110-V196 HydrophobicContact CB-CG2 4.36Å; W110-V196 HydrophobicContact CD2-CG1 4.07Å; W110-V196 HydrophobicContact CG-CB 4.38Å; W110-V196 HydrophobicContact CG-CG1 3.89Å; W110-V196 HydrophobicContact CG-CG2 4.37Å; W110-W197 AromaticContact CE2-CZ2 3.95Å; W110-W197 HydrophobicContact CZ2-CH2 4.32Å; W110-W197 AromaticContact CZ2-CZ2 3.69Å; W110-W197 HydrophobicContact CZ2-CZ2 3.69Å; W110-W197 AromaticContact NE1-CD1 3.86Å; W110-W197 AromaticContact NE1-CE2 3.43Å; W110-W197 AromaticContact NE1-CZ2 3.77Å; W110-W197 AromaticContact NE1-NE1 3.29Å; W110-Y206 HydrophobicContact CE3-CD2 4.09Å; W110-Y206 AromaticContact CE3-CE2 3.66Å; W110-Y206 HydrophobicContact CE3-CE2 3.66Å; W110-Y206 AromaticContact CZ3-CD2 3.98Å; W110-Y206 HydrophobicContact CZ3-CD2 3.98Å; W110-Y206 AromaticContact CZ3-CE2 3.63Å; W110-Y206 HydrophobicContact CZ3-CE2 3.63Å
111	E	97.3	Very high	96.6	Very high	107 Å²	107	61.7 Å²	61.7	50%	0.5	30%	0.304	S	S	.	.	S	Bend	trans	-155.6	163.2	177.9	71.8	-169.6	148.9	0	0	110.5	W104 L109 L125 Y206	W104-E111 HydrophobicContact CZ2-CG 3.87Å; W104-E111 PolarHBondContact NE1-O 2.03Å; L109-E111 HydrophobicContact CB-CG 4.13Å; L109-E111 PolarHBondContact O-N 3.18Å; E111-L125 WeakPolarHBondContact O-CD1 3.3Å; E111-Y206 PolarHBondContact O-OH 2.95Å
112	H	98.1	Very high	96.6	Very high	92 Å²	92	61.8 Å²	61.8	43%	0.426	31%	0.305	S	S	.	.			trans	-73	141.1	176.4	-72	-65.4	0	0	0	111.9	L118 Q123	H112-L118 HydrophobicContact CB-CD1 3.64Å; H112-L118 HydrophobicContact CB-CD2 4.34Å; H112-Q123 VanDerWaalsContact CA-OE1 3.22Å; H112-Q123 PolarHBondContact CE1-O 2.63Å; H112-Q123 VanDerWaalsContact CE1-O 3.24Å; H112-Q123 PolarHBondContact ND1-OE1 3.41Å
113	G	96.6	Very high	96.7	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.01	30%	0.303	C	S	.	.			trans	173.5	-173.1	171.9	0	0	0	0	0	116.3	W104 Q123	W104-G113 VanDerWaalsContact CE2-N 3.31Å; G113-Q123 PolarHBondContact O-NE2 2.88Å
114	P	96.3	Very high	96.8	Very high	24 Å²	24	57.3 Å²	57.3	16%	0.156	28%	0.281	C	S	.	.			cis	-71	147.2	-3.1	30.8	-36.1	0	0	0	111.8	W104 H116 L117 L118	W104-P114 HydrophobicContact CE3-CB 3.95Å; W104-P114 HydrophobicContact CE3-CG 4.4Å; W104-P114 HydrophobicContact CZ3-CB 3.79Å; P114-H116 VanDerWaalsContact C-N 3.27Å; P114-H116 VanDerWaalsContact CB-CE1 3.49Å; P114-H116 WeakPolarHBondContact CB-CE1 3.36Å; P114-H116 VanDerWaalsContact CG-CE1 3.47Å; P114-H116 WeakPolarHBondContact CG-CE1 3.5Å; P114-H116 PolarHBondContact O-N 2.8Å; P114-H116 VanDerWaalsContact O-N 3.08Å; P114-L117 HydrophobicContact CG-CB 4.27Å; P114-L117 HydrophobicContact CG-CD1 3.68Å; P114-L117 HydrophobicContact CG-CG 3.89Å; P114-L117 PolarHBondContact O-N 3.03Å; P114-L118 PolarHBondContact O-N 2.96Å
115	P	96.1	Very high	96.8	Very high	101 Å²	101	56.4 Å²	56.4	66%	0.656	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-37.2	-170.1	-30.8	35.4	0	0	0	115.5	L117 L118	P115-L117 PolarHBondContact O-N 2.88Å; P115-L118 PolarHBondContact O-N 3.25Å
116	H	95.6	Very high	96.8	Very high	132 Å²	132	57 Å²	57	61%	0.611	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.7	-179.4	63.9	-88.6	0	0	0	113.6	P114	P114-H116 VanDerWaalsContact C-N 3.27Å; P114-H116 VanDerWaalsContact CB-CE1 3.49Å; P114-H116 WeakPolarHBondContact CB-CE1 3.36Å; P114-H116 VanDerWaalsContact CG-CE1 3.47Å; P114-H116 WeakPolarHBondContact CG-CE1 3.5Å; P114-H116 PolarHBondContact O-N 2.8Å; P114-H116 VanDerWaalsContact O-N 3.08Å
117	L	95.6	Very high	96.9	Very high	45 Å²	45	54.3 Å²	54.3	24%	0.236	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-25.1	176.4	-64.1	-176.5	0	0	0	113	T100 P114 P115 R119 F120 L121	T100-L117 HydrophobicContact CG2-CD1 3.97Å; P114-L117 HydrophobicContact CG-CB 4.27Å; P114-L117 HydrophobicContact CG-CD1 3.68Å; P114-L117 HydrophobicContact CG-CG 3.89Å; P114-L117 PolarHBondContact O-N 3.03Å; P115-L117 PolarHBondContact O-N 2.88Å; L117-R119 PolarHBondContact O-N 3.28Å; L117-R119 VanDerWaalsContact O-N 3.1Å; L117-F120 PolarHBondContact O-N 2.92Å; L117-L121 HydrophobicContact CB-CD1 4.16Å; L117-L121 PolarHBondContact O-N 3.04Å
118	L	95.1	Very high	96.8	Very high	42 Å²	42	55.3 Å²	55.3	22%	0.22	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.5	-176.3	-62.7	-177.9	0	0	0	113.9	H112 P114 P115 F120 Q123 K214	H112-L118 HydrophobicContact CB-CD1 3.64Å; H112-L118 HydrophobicContact CB-CD2 4.34Å; P114-L118 PolarHBondContact O-N 2.96Å; P115-L118 PolarHBondContact O-N 3.25Å; L118-F120 VanDerWaalsContact C-N 3.26Å; L118-Q123 HydrophobicContact CD2-CB 4.22Å; L118-K214 WeakPolarHBondContact O-CE 3.49Å; L118-K214 PolarHBondContact O-NZ 2.87Å
119	R	93.5	Very high	96.5	Very high	187 Å²	187	57.9 Å²	57.9	71%	0.706	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.9	169.4	-177.5	177.2	-178.7	-145.4	0.1	112.3	L117	L117-R119 PolarHBondContact O-N 3.28Å; L117-R119 VanDerWaalsContact O-N 3.1Å
120	F	94.6	Very high	95.8	Very high	120 Å²	120	55.9 Å²	55.9	53%	0.526	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-23.7	-170.5	-52.6	-70.3	0	0	0	113.1	L117 L118 K214	L117-F120 PolarHBondContact O-N 2.92Å; L118-F120 VanDerWaalsContact C-N 3.26Å; F120-K214 WeakPolarHBondContact O-CB 3.41Å; F120-K214 PolarHBondContact O-N 3.24Å
121	L	97	Very high	95.1	Very high	20 Å²	20	63.1 Å²	63.1	11%	0.105	31%	0.305	C	S	.	.			trans	-114.1	148.4	-175.7	-55.8	179.6	0	0	0	111.8	L97 L117 Y211 K214	L97-L121 HydrophobicContact CD2-CD1 3.91Å; L97-L121 HydrophobicContact CD2-CD2 3.54Å; L97-L121 HydrophobicContact CD2-CG 4.36Å; L117-L121 HydrophobicContact CB-CD1 4.16Å; L117-L121 PolarHBondContact O-N 3.04Å; L121-Y211 WeakPolarHBondContact CA-O 3.5Å; L121-K214 PolarHBondContact O-NZ 3.35Å
122	G	98.4	Very high	94.7	Very high	2 Å²	2	61.3 Å²	61.3	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	155.7	159.5	0	0	0	0	0	110	N210 Y211	G122-N210 CarbonylContact O-C 3.5Å; G122-N210 WeakPolarHBondContact O-CA 3.46Å; G122-Y211 PolarHBondContact N-O 3.25Å; G122-Y211 PolarHBondContact O-N 3.28Å
123	Q	98.8	Very high	94.4	Very high	15 Å²	15	68.4 Å²	68.4	7%	0.07	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	128.6	176.6	-175.3	174.4	85	0	0	111.5	H112 G113 L118 L125 V208 C209 N210	H112-Q123 VanDerWaalsContact CA-OE1 3.22Å; H112-Q123 PolarHBondContact CE1-O 2.63Å; H112-Q123 VanDerWaalsContact CE1-O 3.24Å; H112-Q123 PolarHBondContact ND1-OE1 3.41Å; G113-Q123 PolarHBondContact O-NE2 2.88Å; L118-Q123 HydrophobicContact CD2-CB 4.22Å; Q123-L125 HydrophobicContact CG-CD2 3.77Å; Q123-L125 HydrophobicContact CG-CG 4.32Å; Q123-V208 HydrophobicContact CG-CG1 4.11Å; Q123-C209 CarbonylContact C-O 3.57Å; Q123-C209 VanDerWaalsContact CA-O 3.25Å; Q123-C209 WeakPolarHBondContact CA-O 3.33Å; Q123-N210 WeakPolarHBondContact CG-OD1 3.49Å; Q123-N210 PolarHBondContact NE2-OD1 2.85Å
124	N	98.9	Very high	94.3	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.011	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140.8	167	-74.6	-2.5	0	0	0	109.8	W142 H172 Q175 C209 Y211	N124-W142 HydrophobicContact CB-CD2 3.98Å; N124-W142 HydrophobicContact CB-CE3 4.1Å; N124-W142 HydrophobicContact CB-CH2 3.82Å; N124-W142 HydrophobicContact CB-CZ2 3.66Å; N124-W142 HydrophobicContact CB-CZ3 4.03Å; N124-H172 PolarHBondContact ND2-O 3.49Å; N124-Q175 WeakPolarHBondContact OD1-CB 3.37Å; N124-C209 PolarHBondContact N-O 3.3Å; N124-C209 PolarHBondContact O-N 2.98Å; N124-Y211 HydrophobicContact CB-CE2 3.83Å; N124-Y211 PolarHBondContact ND2-OH 3.49Å
125	L	98.8	Very high	94.4	Very high	10 Å²	10	69.5 Å²	69.5	5%	0.052	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143	-178.3	-59.2	-176.6	0	0	0	109.7	W110 E111 Q123 W142 Y206 L207 V208	W110-L125 HydrophobicContact CH2-CB 3.92Å; W110-L125 HydrophobicContact CZ3-CB 3.76Å; E111-L125 WeakPolarHBondContact O-CD1 3.3Å; Q123-L125 HydrophobicContact CG-CD2 3.77Å; Q123-L125 HydrophobicContact CG-CG 4.32Å; L125-W142 PolarHBondContact O-NE1 3.25Å; L125-Y206 HydrophobicContact CB-CE2 4.16Å; L125-Y206 WeakPolarHBondContact CD1-OH 3.45Å; L125-Y206 HydrophobicContact CD2-CE2 4Å; L125-Y206 WeakPolarHBondContact CD2-OH 3.34Å; L125-Y206 HydrophobicContact CG-CE2 4.45Å; L125-L207 WeakPolarHBondContact CA-O 3.21Å; L125-V208 HydrophobicContact CD2-CB 4.18Å; L125-V208 HydrophobicContact CD2-CG1 3.9Å; L125-V208 HydrophobicContact CD2-CG2 3.85Å
126	S	98.3	Very high	94.5	Very high	13 Å²	13	66.3 Å²	66.3	9%	0.091	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	137.8	173.7	-174.4	0	0	0	0	110	L138 Y206 L207	S126-L138 WeakPolarHBondContact CB-O 3.38Å; S126-L138 WeakPolarHBondContact OG-CA 3.48Å; S126-L138 WeakPolarHBondContact OG-CD2 3.36Å; S126-L138 PolarHBondContact OG-O 2.84Å; S126-Y206 WeakPolarHBondContact O-CA 3.29Å; S126-Y206 WeakPolarHBondContact O-CD2 3.44Å; S126-L207 PolarHBondContact N-O 3.03Å; S126-L207 PolarHBondContact O-N 3.19Å
127	V	97.3	Very high	94.6	Very high	17 Å²	17	64 Å²	64	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.1	-179	68	0	0	0	0	110.4	W110 M194 V196 W197 W201 A204 T205 Y206	W110-V127 HydrophobicContact CD2-CG1 4Å; W110-V127 HydrophobicContact CE3-CB 3.82Å; W110-V127 HydrophobicContact CE3-CG1 3.71Å; W110-V127 HydrophobicContact CH2-CB 4.05Å; W110-V127 HydrophobicContact CH2-CG1 3.57Å; W110-V127 HydrophobicContact CZ2-CG1 3.84Å; W110-V127 HydrophobicContact CZ3-CB 3.52Å; W110-V127 HydrophobicContact CZ3-CG1 3.48Å; W110-V127 VanDerWaalsContact CZ3-CG1 3.48Å; V127-M194 HydrophobicContact CG2-SD 4.13Å; V127-V196 HydrophobicContact CG1-CG1 3.69Å; V127-V196 HydrophobicContact CG1-CG2 4.36Å; V127-V196 HydrophobicContact CG2-CG2 4.12Å; V127-W197 HydrophobicContact CG1-CH2 4.29Å; V127-W201 HydrophobicContact CG1-CZ3 4.07Å; V127-W201 HydrophobicContact CG2-CE3 4.13Å; V127-W201 HydrophobicContact CG2-CZ3 4.3Å; V127-A204 HydrophobicContact CG2-CB 3.94Å; V127-T205 VanDerWaalsContact CA-O 3.31Å; V127-T205 WeakPolarHBondContact CA-O 3.29Å; V127-Y206 HydrophobicContact CB-CD2 4.48Å
128	R	94.9	Very high	94.7	Very high	67 Å²	67	62 Å²	62	25%	0.253	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	154.5	173.2	64	-175.4	-66.7	-79.4	3.1	111.4	G130 R131 Y132 L138 A204 T205	R128-G130 PolarHBondContact NH1-O 2.75Å; R128-R131 PolarHBondContact NH1-O 2.86Å; R128-R131 PolarHBondContact NH2-O 2.86Å; R128-Y132 VanDerWaalsContact NH1-CA 3.3Å; R128-Y132 VanDerWaalsContact NH1-N 3.16Å; R128-L138 HydrophobicContact CG-CD2 3.88Å; R128-L138 HydrophobicContact CG-CG 4.34Å; R128-A204 CarbonylContact O-C 3.59Å; R128-T205 PolarHBondContact N-O 3.24Å; R128-T205 PolarHBondContact O-N 3.22Å
129	T	90.8	Very high	94.8	Very high	78 Å²	78	60 Å²	60	48%	0.479	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	145	170.3	54	0	0	0	0	111.6	W201	T129-W201 HydrophobicContact CG2-CB 4.32Å; T129-W201 HydrophobicContact CG2-CD2 3.81Å; T129-W201 HydrophobicContact CG2-CE3 3.54Å; T129-W201 HydrophobicContact CG2-CG 4.19Å; T129-W201 HydrophobicContact CG2-CZ3 4.11Å
130	G	82.1	Confident	95.1	Very high	35 Å²	35	55.7 Å²	55.7	36%	0.361	26%	0.257	S	S	.	.	S	Bend	trans	78.2	-178.8	171.5	0	0	0	0	0	114.6	R128 R203 T205	R128-G130 PolarHBondContact NH1-O 2.75Å; G130-R203 PolarHBondContact N-O 3.1Å; G130-T205 PolarHBondContact O-OG1 3.21Å
131	R	83.3	Confident	95.3	Very high	216 Å²	216	53 Å²	53	82%	0.815	25%	0.251	S	S	*	.			trans	-73.2	144.6	-176.8	-64.6	-177.5	179.4	175	-0.1	111.4	R128	R128-R131 PolarHBondContact NH1-O 2.86Å; R128-R131 PolarHBondContact NH2-O 2.86Å
132	Y	88.6	Confident	95.4	Very high	69 Å²	69	52.3 Å²	52.3	27%	0.271	25%	0.248	S	C	.	.			trans	-99.6	150.9	172.3	65.1	-86.8	0	0	0	109.9	R128 I135 L138 V188 T205	R128-Y132 VanDerWaalsContact NH1-CA 3.3Å; R128-Y132 VanDerWaalsContact NH1-N 3.16Å; Y132-I135 HydrophobicContact CE2-CB 4.38Å; Y132-I135 HydrophobicContact CE2-CD1 4.24Å; Y132-L138 HydrophobicContact CD1-CD1 4.44Å; Y132-L138 HydrophobicContact CG-CD1 4.43Å; Y132-V188 HydrophobicContact CE1-CG2 4.16Å; Y132-T205 HydrophobicContact CD1-CG2 3.69Å; Y132-T205 HydrophobicContact CE1-CG2 3.94Å
133	R	91.6	Very high	95.4	Very high	240 Å²	240	56 Å²	56	91%	0.906	26%	0.262	S	S	*	.	S	Bend	trans	-95	-26.4	173.3	-68	-174.6	-180	173.7	-0.4	112.6
134	S	95.6	Very high	95.4	Very high	48 Å²	48	59 Å²	59	34%	0.336	28%	0.278	S	S	.	.	S	Bend	trans	-147.8	137	178.1	171.7	0	0	0	0	108.3	L136 Q137	S134-L136 PolarHBondContact O-N 3.1Å; S134-L136 VanDerWaalsContact O-N 3.11Å; S134-L136 PolarHBondContact OG-N 3.28Å; S134-Q137 WeakPolarHBondContact O-CB 3.24Å; S134-Q137 WeakPolarHBondContact O-CG 3.43Å; S134-Q137 PolarHBondContact O-N 2.99Å
135	I	97.1	Very high	95.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.2	176.9	-163.4	66.1	0	0	0	112.5	D66 A69 I70 Y132 Q137 L138 V188 L207	D66-I135 HydrophobicContact CB-CB 3.91Å; D66-I135 HydrophobicContact CB-CG1 4.13Å; D66-I135 HydrophobicContact CB-CG2 3.81Å; D66-I135 WeakPolarHBondContact OD1-CB 3.36Å; D66-I135 WeakPolarHBondContact OD1-CG2 3.26Å; A69-I135 HydrophobicContact CB-CG2 3.95Å; I70-I135 HydrophobicContact CD1-CG1 3.84Å; I70-I135 HydrophobicContact CG1-CG1 4.01Å; I70-I135 HydrophobicContact CG1-CG2 3.96Å; Y132-I135 HydrophobicContact CE2-CB 4.38Å; Y132-I135 HydrophobicContact CE2-CD1 4.24Å; I135-Q137 PolarHBondContact O-N 2.98Å; I135-Q137 VanDerWaalsContact O-N 3.1Å; I135-L138 HydrophobicContact CD1-CD1 3.81Å; I135-L138 WeakPolarHBondContact O-CB 3.47Å; I135-L138 PolarHBondContact O-N 3.48Å; I135-V188 HydrophobicContact CD1-CB 4.19Å; I135-V188 HydrophobicContact CD1-CG1 4.35Å; I135-V188 HydrophobicContact CD1-CG2 4.27Å; I135-L207 HydrophobicContact CD1-CD1 4.28Å; I135-L207 HydrophobicContact CD1-CD2 4.43Å
136	L	98	Very high	95.3	Very high	35 Å²	35	61.6 Å²	61.6	18%	0.183	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-17.8	176.9	-63.1	-174.8	0	0	0	113.4	A69 Y73 S134 L138 V139 K140	A69-L136 HydrophobicContact CB-CD2 4.43Å; A69-L136 HydrophobicContact CB-CG 4.47Å; Y73-L136 HydrophobicContact CD1-CD2 4.3Å; Y73-L136 HydrophobicContact CD2-CD1 4.49Å; Y73-L136 HydrophobicContact CD2-CD2 4.31Å; Y73-L136 HydrophobicContact CG-CD2 3.82Å; S134-L136 PolarHBondContact O-N 3.1Å; S134-L136 VanDerWaalsContact O-N 3.11Å; S134-L136 PolarHBondContact OG-N 3.28Å; L136-L138 PolarHBondContact O-N 2.85Å; L136-V139 HydrophobicContact CD2-CB 4.49Å; L136-V139 PolarHBondContact O-N 3.37Å; L136-K140 HydrophobicContact CB-CD 4.41Å; L136-K140 HydrophobicContact CB-CG 4.35Å; L136-K140 VanDerWaalsContact O-CB 3.32Å; L136-K140 WeakPolarHBondContact O-CB 3.36Å; L136-K140 VanDerWaalsContact O-CG 3.27Å; L136-K140 WeakPolarHBondContact O-CG 3.02Å; L136-K140 PolarHBondContact O-N 3.4Å
137	Q	97.7	Very high	95.3	Very high	84 Å²	84	68.7 Å²	68.7	39%	0.393	32%	0.322	S	S	.	.	H	α-helix	trans	-64.1	-24.9	171.1	-67.2	179.4	-23.1	0	0	112.6	S134 I135 P141	S134-Q137 WeakPolarHBondContact O-CB 3.24Å; S134-Q137 WeakPolarHBondContact O-CG 3.43Å; S134-Q137 PolarHBondContact O-N 2.99Å; I135-Q137 PolarHBondContact O-N 2.98Å; I135-Q137 VanDerWaalsContact O-N 3.1Å; Q137-P141 WeakPolarHBondContact O-CD 3.31Å
138	L	98.1	Very high	95.4	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-90.7	-23.7	175.8	-71.1	135.7	0	0	0	112.4	S126 R128 Y132 I135 L136 T205 L207	S126-L138 WeakPolarHBondContact CB-O 3.38Å; S126-L138 WeakPolarHBondContact OG-CA 3.48Å; S126-L138 WeakPolarHBondContact OG-CD2 3.36Å; S126-L138 PolarHBondContact OG-O 2.84Å; R128-L138 HydrophobicContact CG-CD2 3.88Å; R128-L138 HydrophobicContact CG-CG 4.34Å; Y132-L138 HydrophobicContact CD1-CD1 4.44Å; Y132-L138 HydrophobicContact CG-CD1 4.43Å; I135-L138 HydrophobicContact CD1-CD1 3.81Å; I135-L138 WeakPolarHBondContact O-CB 3.47Å; I135-L138 PolarHBondContact O-N 3.48Å; L136-L138 PolarHBondContact O-N 2.85Å; L138-T205 HydrophobicContact CD1-CG2 3.93Å; L138-T205 HydrophobicContact CD2-CG2 4.41Å; L138-L207 HydrophobicContact CB-CB 4.17Å; L138-L207 HydrophobicContact CB-CD2 3.58Å; L138-L207 HydrophobicContact CD1-CB 4.37Å; L138-L207 HydrophobicContact CD2-CB 4.05Å; L138-L207 HydrophobicContact CG-CB 4.42Å
139	V	98.6	Very high	95.5	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-96.5	-39	-173.7	-177.2	0	0	0	0	112.8	I70 Y73 L136 P141 W142 M176 L207	I70-V139 HydrophobicContact CG1-CG2 4.09Å; Y73-V139 HydrophobicContact CD1-CB 4.46Å; Y73-V139 HydrophobicContact CD1-CG1 3.61Å; Y73-V139 HydrophobicContact CE1-CG1 4.05Å; L136-V139 HydrophobicContact CD2-CB 4.49Å; L136-V139 PolarHBondContact O-N 3.37Å; V139-P141 VanDerWaalsContact C-CD 3.43Å; V139-P141 VanDerWaalsContact C-N 3.33Å; V139-W142 HydrophobicContact CB-CE3 4.22Å; V139-W142 HydrophobicContact CB-CZ3 4.33Å; V139-W142 HydrophobicContact CG1-CE3 3.75Å; V139-W142 HydrophobicContact CG1-CZ3 4Å; V139-W142 HydrophobicContact CG2-CE3 4.44Å; V139-W142 HydrophobicContact CG2-CZ3 4.04Å; V139-W142 VanDerWaalsContact O-CB 3.29Å; V139-W142 WeakPolarHBondContact O-CB 3.46Å; V139-W142 PolarHBondContact O-N 3.49Å; V139-M176 HydrophobicContact CG1-CE 3.99Å; V139-L207 HydrophobicContact CG2-CD2 3.72Å
140	K	98.5	Very high	95.9	Very high	98 Å²	98	66.3 Å²	66.3	43%	0.426	31%	0.313	S	S	.	.	H	α-helix	trans	-55.8	-39.7	-179.4	-75.7	178.6	172.1	-175.7	0	113.8	Y73 L136 W142 Y143 D144	Y73-K140 HydrophobicContact CE1-CG 4.09Å; Y73-K140 HydrophobicContact CE2-CG 4.08Å; L136-K140 HydrophobicContact CB-CD 4.41Å; L136-K140 HydrophobicContact CB-CG 4.35Å; L136-K140 VanDerWaalsContact O-CB 3.32Å; L136-K140 WeakPolarHBondContact O-CB 3.36Å; L136-K140 VanDerWaalsContact O-CG 3.27Å; L136-K140 WeakPolarHBondContact O-CG 3.02Å; L136-K140 PolarHBondContact O-N 3.4Å; K140-W142 PolarHBondContact O-N 3.49Å; K140-W142 VanDerWaalsContact O-N 3.16Å; K140-Y143 WeakPolarHBondContact O-CA 3.45Å; K140-Y143 WeakPolarHBondContact O-CB 3.45Å; K140-Y143 PolarHBondContact O-N 2.85Å; K140-D144 VanDerWaalsContact O-CG 3.31Å; K140-D144 PolarHBondContact O-N 3.23Å
141	P	98.5	Very high	96.7	Very high	62 Å²	62	65.4 Å²	65.4	40%	0.403	30%	0.3	S	S	.	.	H	α-helix	trans	-57	-30.5	176.1	-27.9	37.2	0	0	0	114	Q137 V139 D144	Q137-P141 WeakPolarHBondContact O-CD 3.31Å; V139-P141 VanDerWaalsContact C-CD 3.43Å; V139-P141 VanDerWaalsContact C-N 3.33Å; P141-D144 PolarHBondContact O-N 3.37Å
142	W	98.8	Very high	97.3	Very high	6 Å²	6	55.3 Å²	55.3	2%	0.023	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-39.4	173.4	-59.4	-28.4	0	0	0	112.1	N124 L125 V139 K140 H172 Y173 M176 L207 C209	N124-W142 HydrophobicContact CB-CD2 3.98Å; N124-W142 HydrophobicContact CB-CE3 4.1Å; N124-W142 HydrophobicContact CB-CH2 3.82Å; N124-W142 HydrophobicContact CB-CZ2 3.66Å; N124-W142 HydrophobicContact CB-CZ3 4.03Å; L125-W142 PolarHBondContact O-NE1 3.25Å; V139-W142 HydrophobicContact CB-CE3 4.22Å; V139-W142 HydrophobicContact CB-CZ3 4.33Å; V139-W142 HydrophobicContact CG1-CE3 3.75Å; V139-W142 HydrophobicContact CG1-CZ3 4Å; V139-W142 HydrophobicContact CG2-CE3 4.44Å; V139-W142 HydrophobicContact CG2-CZ3 4.04Å; V139-W142 VanDerWaalsContact O-CB 3.29Å; V139-W142 WeakPolarHBondContact O-CB 3.46Å; V139-W142 PolarHBondContact O-N 3.49Å; K140-W142 PolarHBondContact O-N 3.49Å; K140-W142 VanDerWaalsContact O-N 3.16Å; W142-H172 HydrophobicContact CB-CB 3.59Å; W142-H172 VanDerWaalsContact CD1-CB 3.44Å; W142-H172 AromaticContact CD1-CD2 3.91Å; W142-H172 AromaticContact CD1-CG 3.5Å; W142-H172 AromaticContact CD1-ND1 3.91Å; W142-H172 HydrophobicContact CG-CB 3.6Å; W142-H172 AromaticContact NE1-CD2 3.93Å; W142-H172 AromaticContact NE1-CG 3.99Å; W142-Y173 VanDerWaalsContact O-CA 3.25Å; W142-Y173 WeakPolarHBondContact O-CA 3.02Å; W142-Y173 VanDerWaalsContact O-CB 3.25Å; W142-Y173 WeakPolarHBondContact O-CB 3.37Å; W142-Y173 PolarHBondContact O-N 3.07Å; W142-M176 HydrophobicContact CB-CG 4.37Å; W142-M176 HydrophobicContact CB-SD 3.47Å; W142-M176 WeakPolarHBondContact CB-SD 3.43Å; W142-M176 HydrophobicContact CE3-SD 4.29Å; W142-L207 HydrophobicContact CH2-CD2 3.65Å; W142-L207 HydrophobicContact CH2-CG 4.06Å; W142-L207 HydrophobicContact CZ2-CD2 4.17Å; W142-L207 HydrophobicContact CZ2-CG 4.48Å; W142-L207 HydrophobicContact CZ3-CD2 4.37Å; W142-C209 HydrophobicContact CH2-CB 3.85Å; W142-C209 VanDerWaalsContact CH2-SG 3.59Å; W142-C209 HydrophobicContact CZ3-CB 4.15Å
143	Y	98.7	Very high	97.7	Very high	81 Å²	81	55.9 Å²	55.9	32%	0.318	26%	0.264	S	S	.	.	H	α-helix	trans	-70	-38.1	174.9	169.9	-105.8	0	0	0	111.7	Y73 V77 K140 E145 V146 Y173	Y73-Y143 WeakPolarHBondContact OH-CB 3.29Å; Y73-Y143 WeakPolarHBondContact OH-CD1 3.12Å; V77-Y143 HydrophobicContact CB-CD2 4.22Å; V77-Y143 HydrophobicContact CG1-CD2 3.47Å; V77-Y143 VanDerWaalsContact CG1-CD2 3.47Å; V77-Y143 HydrophobicContact CG1-CE2 3.83Å; V77-Y143 HydrophobicContact CG1-CG 4.49Å; V77-Y143 HydrophobicContact CG2-CD2 3.64Å; V77-Y143 HydrophobicContact CG2-CE2 4.11Å; V77-Y143 HydrophobicContact CG2-CG 3.99Å; K140-Y143 WeakPolarHBondContact O-CA 3.45Å; K140-Y143 WeakPolarHBondContact O-CB 3.45Å; K140-Y143 PolarHBondContact O-N 2.85Å; Y143-E145 PolarHBondContact O-N 3Å; Y143-V146 HydrophobicContact CD2-CG1 4.49Å; Y143-V146 HydrophobicContact CE1-CG1 4.33Å; Y143-V146 HydrophobicContact CE2-CB 4.5Å; Y143-V146 HydrophobicContact CE2-CG1 4.11Å; Y143-V146 VanDerWaalsContact O-CB 3.28Å; Y143-V146 WeakPolarHBondContact O-CB 3.49Å; Y143-V146 WeakPolarHBondContact O-CG1 3.44Å; Y143-V146 PolarHBondContact O-N 3.4Å; Y143-Y173 HydrophobicContact CD2-CD2 4.08Å; Y143-Y173 AromaticContact CD2-CE2 3.99Å; Y143-Y173 HydrophobicContact CD2-CE2 3.99Å; Y143-Y173 HydrophobicContact CE2-CE2 4.16Å
144	D	98.6	Very high	97.9	Very high	78 Å²	78	49 Å²	49	42%	0.417	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-20.5	-176.1	-65.2	-24	0	0	0	112.7	K140 P141 V146 K147	K140-D144 VanDerWaalsContact O-CG 3.31Å; K140-D144 PolarHBondContact O-N 3.23Å; P141-D144 PolarHBondContact O-N 3.37Å; D144-V146 PolarHBondContact O-N 3.43Å; D144-V146 VanDerWaalsContact O-N 3.14Å; D144-K147 VanDerWaalsContact O-CD 3.26Å; D144-K147 WeakPolarHBondContact O-CD 3.29Å; D144-K147 WeakPolarHBondContact O-CG 3.25Å; D144-K147 PolarHBondContact O-N 2.98Å
145	E	98.8	Very high	97.9	Very high	19 Å²	19	57 Å²	57	9%	0.089	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-60.5	-17.3	171.7	-52.1	179.7	161.9	0	0	113.3	Y143 K147 D148 Y149 M169 C170 T171 H172 Y173	Y143-E145 PolarHBondContact O-N 3Å; E145-K147 PolarHBondContact O-N 3.27Å; E145-K147 VanDerWaalsContact O-N 3.1Å; E145-D148 PolarHBondContact O-N 2.98Å; E145-Y149 PolarHBondContact O-N 2.88Å; E145-M169 WeakPolarHBondContact CB-O 3.22Å; E145-M169 WeakPolarHBondContact CG-O 3.14Å; E145-M169 WeakPolarHBondContact OE1-CB 3.5Å; E145-M169 WeakPolarHBondContact OE1-CG 3.34Å; E145-C170 WeakPolarHBondContact OE2-CA 3.42Å; E145-T171 PolarHBondContact OE2-N 3.44Å; E145-H172 IonicContact OE1-CE1 3.52Å; E145-H172 IonicContact OE1-CG 3.62Å; E145-H172 IonicContact OE1-ND1 3.57Å; E145-H172 PolarHBondContact OE1-ND1 3.36Å; E145-H172 WeakPolarHBondContact OE2-CA 3.36Å; E145-H172 WeakPolarHBondContact OE2-CB 3.4Å; E145-H172 IonicContact OE2-CG 2.91Å; E145-H172 PolarHBondContact OE2-N 2.94Å; E145-H172 IonicContact OE2-ND1 3.63Å; E145-Y173 PolarHBondContact OE2-N 3.3Å
146	V	98.4	Very high	97.8	Very high	46 Å²	46	59.1 Å²	59.1	28%	0.279	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-53.7	-30	173.1	70.5	0	0	0	0	112.5	Y143 D144 D148 Y149 Y173	Y143-V146 HydrophobicContact CD2-CG1 4.49Å; Y143-V146 HydrophobicContact CE1-CG1 4.33Å; Y143-V146 HydrophobicContact CE2-CB 4.5Å; Y143-V146 HydrophobicContact CE2-CG1 4.11Å; Y143-V146 VanDerWaalsContact O-CB 3.28Å; Y143-V146 WeakPolarHBondContact O-CB 3.49Å; Y143-V146 WeakPolarHBondContact O-CG1 3.44Å; Y143-V146 PolarHBondContact O-N 3.4Å; D144-V146 PolarHBondContact O-N 3.43Å; D144-V146 VanDerWaalsContact O-N 3.14Å; V146-D148 PolarHBondContact O-N 3.43Å; V146-Y149 PolarHBondContact O-N 2.89Å; V146-Y173 HydrophobicContact CB-CD1 4.31Å; V146-Y173 HydrophobicContact CB-CD2 3.83Å; V146-Y173 HydrophobicContact CB-CE1 4.18Å; V146-Y173 HydrophobicContact CB-CE2 3.68Å; V146-Y173 HydrophobicContact CB-CG 4.14Å; V146-Y173 HydrophobicContact CG2-CD1 4.47Å; V146-Y173 HydrophobicContact CG2-CD2 4.34Å; V146-Y173 HydrophobicContact CG2-CE1 3.86Å; V146-Y173 HydrophobicContact CG2-CE2 3.72Å; V146-Y173 VanDerWaalsContact CG2-CZ 3.44Å
147	K	98.3	Very high	97.7	Very high	162 Å²	162	59 Å²	59	70%	0.704	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-63.6	-25.9	178.1	77.7	-165.9	176.5	178.8	0	112.9	D144 E145	D144-K147 VanDerWaalsContact O-CD 3.26Å; D144-K147 WeakPolarHBondContact O-CD 3.29Å; D144-K147 WeakPolarHBondContact O-CG 3.25Å; D144-K147 PolarHBondContact O-N 2.98Å; E145-K147 PolarHBondContact O-N 3.27Å; E145-K147 VanDerWaalsContact O-N 3.1Å
148	D	98.3	Very high	97.4	Very high	42 Å²	42	62 Å²	62	23%	0.225	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-106.8	-3.4	-175.3	-64.5	-42.2	0	0	0	111.7	E145 V146 Y166	E145-D148 PolarHBondContact O-N 2.98Å; V146-D148 PolarHBondContact O-N 3.43Å; D148-Y166 WeakPolarHBondContact O-CD2 3.39Å; D148-Y166 PolarHBondContact O-N 2.8Å
149	Y	98.4	Very high	97.2	Very high	22 Å²	22	68 Å²	68	9%	0.086	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.8	-176.8	175.9	-101.2	0	0	0	111.5	E145 V146 F151 P152 L163 C170 Y173 T174 P222	E145-Y149 PolarHBondContact O-N 2.88Å; V146-Y149 PolarHBondContact O-N 2.89Å; Y149-F151 HydrophobicContact CE1-CB 4.08Å; Y149-F151 HydrophobicContact CE1-CD2 4.2Å; Y149-P152 WeakPolarHBondContact OH-CD 3.26Å; Y149-L163 HydrophobicContact CD2-CD1 4.39Å; Y149-L163 HydrophobicContact CE2-CD1 3.99Å; Y149-C170 HydrophobicContact CD2-CB 4.07Å; Y149-Y173 AromaticContact CD1-CD1 3.82Å; Y149-Y173 HydrophobicContact CD1-CD1 3.82Å; Y149-Y173 AromaticContact CD1-CE1 3.47Å; Y149-Y173 HydrophobicContact CD1-CE1 3.47Å; Y149-Y173 VanDerWaalsContact CD1-CE1 3.47Å; Y149-Y173 HydrophobicContact CE1-CD1 4.4Å; Y149-Y173 AromaticContact CE1-CE1 3.9Å; Y149-Y173 HydrophobicContact CE1-CE1 3.9Å; Y149-Y173 AromaticContact CG-CD1 3.98Å; Y149-Y173 HydrophobicContact CG-CD1 3.98Å; Y149-Y173 HydrophobicContact CG-CE1 4.13Å; Y149-T174 HydrophobicContact CD2-CG2 3.84Å; Y149-T174 HydrophobicContact CE1-CG2 4.37Å; Y149-T174 HydrophobicContact CE2-CG2 3.41Å; Y149-T174 VanDerWaalsContact CE2-CG2 3.41Å; Y149-T174 HydrophobicContact CG-CG2 4.46Å; Y149-P222 WeakPolarHBondContact OH-CD 3Å; Y149-P222 WeakPolarHBondContact OH-CG 2.8Å
150	S	98.1	Very high	97.1	Very high	49 Å²	49	76.4 Å²	76.4	34%	0.343	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.8	169.5	-74	0	0	0	0	111.1	R164	S150-R164 PolarHBondContact N-O 3.06Å
151	F	98.1	Very high	97	Very high	16 Å²	16	72.8 Å²	72.8	7%	0.07	36%	0.363	C	S	.	.			trans	-66.3	130	-178.4	-171	-83.7	0	0	0	111.8	P83 Y149 Y153 A221 Y223 V225	P83-F151 HydrophobicContact CG-CB 4.12Å; P83-F151 HydrophobicContact CG-CD1 3.59Å; P83-F151 HydrophobicContact CG-CD2 4.21Å; P83-F151 HydrophobicContact CG-CE1 4.08Å; P83-F151 HydrophobicContact CG-CG 3.68Å; Y149-F151 HydrophobicContact CE1-CB 4.08Å; Y149-F151 HydrophobicContact CE1-CD2 4.2Å; F151-Y153 PolarHBondContact O-N 3.02Å; F151-A221 HydrophobicContact CZ-CB 4.06Å; F151-Y223 AromaticContact CD2-CE1 3.97Å; F151-Y223 HydrophobicContact CD2-CE1 3.97Å; F151-Y223 AromaticContact CD2-CE2 3.88Å; F151-Y223 HydrophobicContact CD2-CE2 3.88Å; F151-Y223 AromaticContact CD2-CZ 3.51Å; F151-Y223 AromaticContact CE2-CD1 3.94Å; F151-Y223 HydrophobicContact CE2-CD1 3.94Å; F151-Y223 AromaticContact CE2-CD2 3.59Å; F151-Y223 HydrophobicContact CE2-CD2 3.59Å; F151-Y223 AromaticContact CE2-CE1 3.6Å; F151-Y223 HydrophobicContact CE2-CE1 3.6Å; F151-Y223 AromaticContact CE2-CE2 3.23Å; F151-Y223 HydrophobicContact CE2-CE2 3.23Å; F151-Y223 AromaticContact CE2-CG 3.93Å; F151-Y223 HydrophobicContact CE2-CG 3.93Å; F151-Y223 AromaticContact CE2-CZ 3.24Å; F151-Y223 AromaticContact CZ-CD2 3.81Å; F151-Y223 HydrophobicContact CZ-CD2 3.81Å; F151-Y223 AromaticContact CZ-CE2 3.68Å; F151-Y223 HydrophobicContact CZ-CE2 3.68Å; F151-Y223 HydrophobicContact CZ-CG 4.41Å; F151-Y223 WeakPolarHBondContact CZ-O 2.87Å; F151-V225 HydrophobicContact CD1-CG2 3.88Å; F151-V225 HydrophobicContact CE1-CG2 3.15Å; F151-V225 HydrophobicContact CZ-CG2 3.63Å
152	P	96.9	Very high	97	Very high	3 Å²	3	72.2 Å²	72.2	2%	0.019	36%	0.359	C	S	.	.			trans	-79.4	114.7	175.1	30.8	-31.8	0	0	0	110.6	Y149 C161 P162 A221	Y149-P152 WeakPolarHBondContact OH-CD 3.26Å; P152-C161 HydrophobicContact CB-CB 4.09Å; P152-C161 HydrophobicContact CG-CB 4.08Å; P152-P162 HydrophobicContact CB-CG 4.36Å; P152-A221 HydrophobicContact CG-CB 3.89Å
153	Y	96.8	Very high	96.8	Very high	82 Å²	82	77.1 Å²	77.1	32%	0.322	39%	0.385	S	S	.	.			trans	-74.6	158.9	176.4	-73.8	-91.2	0	0	0	110.7	P83 F151 R155 D156 V225	P83-Y153 HydrophobicContact CB-CE1 4.29Å; P83-Y153 HydrophobicContact CG-CE1 4.17Å; F151-Y153 PolarHBondContact O-N 3.02Å; Y153-R155 PolarHBondContact O-N 3.26Å; Y153-D156 PolarHBondContact N-OD2 3.34Å; Y153-D156 WeakPolarHBondContact O-CA 3.45Å; Y153-D156 VanDerWaalsContact O-CB 3.3Å; Y153-D156 WeakPolarHBondContact O-CB 3.43Å; Y153-D156 PolarHBondContact O-N 3.02Å; Y153-V225 HydrophobicContact CD1-CG2 4.38Å; Y153-V225 HydrophobicContact CE1-CG2 4.48Å
154	P	95.3	Very high	96.8	Very high	96 Å²	96	77 Å²	77	62%	0.623	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-51.2	-35.6	179.3	-30.1	36.1	0	0	0	114.3	D156 C157	P154-D156 PolarHBondContact O-N 3.17Å; P154-C157 PolarHBondContact O-N 3.02Å; P154-C157 VanDerWaalsContact O-N 3.16Å
155	R	95.6	Very high	96.7	Very high	216 Å²	216	75.3 Å²	75.3	82%	0.815	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-64.8	-24.1	175.9	70.2	-176.9	-177.1	-164.2	0.3	114.4	Y153 C157	Y153-R155 PolarHBondContact O-N 3.26Å; R155-C157 VanDerWaalsContact C-N 3.33Å
156	D	95.1	Very high	96.6	Very high	43 Å²	43	82.5 Å²	82.5	23%	0.23	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-84.6	-11.8	178.4	-60.3	-54.3	0	0	0	111.6	Y153 P154 P162 R164	Y153-D156 PolarHBondContact N-OD2 3.34Å; Y153-D156 WeakPolarHBondContact O-CA 3.45Å; Y153-D156 VanDerWaalsContact O-CB 3.3Å; Y153-D156 WeakPolarHBondContact O-CB 3.43Å; Y153-D156 PolarHBondContact O-N 3.02Å; P154-D156 PolarHBondContact O-N 3.17Å; D156-P162 HydrophobicContact CB-CG 4.34Å; D156-P162 VanDerWaalsContact O-CD 3.26Å; D156-P162 WeakPolarHBondContact O-CD 3.32Å; D156-R164 VanDerWaalsContact CG-NH1 3.35Å; D156-R164 IonicContact OD1-CZ 3.77Å; D156-R164 IonicContact OD1-NH1 3.76Å; D156-R164 IonicContact OD1-NH2 3.25Å; D156-R164 PolarHBondContact OD1-NH2 3.47Å; D156-R164 IonicContact OD2-CZ 3.75Å; D156-R164 IonicContact OD2-NH1 3.91Å; D156-R164 PolarHBondContact OD2-NH1 2.81Å; D156-R164 IonicContact OD2-NH2 2.84Å
157	C	96.2	Very high	96.5	Very high	34 Å²	34	81.4 Å²	81.4	23%	0.23	40%	0.404	C	S	.	.			trans	-98	101.7	-174.9	-57.2	0	0	0	0	111.1	P154 R155 R160 C161	P154-C157 PolarHBondContact O-N 3.02Å; P154-C157 VanDerWaalsContact O-N 3.16Å; R155-C157 VanDerWaalsContact C-N 3.33Å; C157-R160 WeakPolarHBondContact CA-O 3.3Å; C157-C161 HydrophobicContact CB-CB 4.03Å; C157-C161 WeakPolarHBondContact CB-SG 3.33Å; C157-C161 WeakPolarHBondContact SG-CA 3.41Å; C157-C161 WeakPolarHBondContact SG-CB 3.22Å; C157-C161 CovalentContact SG-SG 2.04Å; C157-C161 PolarHBondContact SG-SG 2.76Å
158	N	92	Very high	96.4	Very high	146 Å²	146	80 Å²	80	78%	0.781	41%	0.411	S	S	*	.	S	Bend	trans	-155.7	112.7	174.5	-176.7	15.3	0	0	0	112.2	R160	N158-R160 PolarHBondContact N-O 2.98Å
159	P	92.8	Very high	96.3	Very high	128 Å²	128	81.9 Å²	81.9	83%	0.831	42%	0.419	S	S	*	.	S	Bend	cis	-75.1	-4.8	-18.6	33.4	-35.4	0	0	0	112.4
160	R	96.9	Very high	96.3	Very high	176 Å²	176	81 Å²	81	66%	0.664	42%	0.416	S	S	*	.	S	Bend	trans	-121.9	147.5	-176.9	-70.2	179.8	-173.8	159.9	2.2	109.8	C157 N158	C157-R160 WeakPolarHBondContact CA-O 3.3Å; N158-R160 PolarHBondContact N-O 2.98Å
161	C	97.4	Very high	96.3	Very high	21 Å²	21	80.8 Å²	80.8	14%	0.142	41%	0.413	C	S	.	.			trans	-76.6	133.5	171.5	-61.1	0	0	0	0	111.3	P152 C157 G219	P152-C161 HydrophobicContact CB-CB 4.09Å; P152-C161 HydrophobicContact CG-CB 4.08Å; C157-C161 HydrophobicContact CB-CB 4.03Å; C157-C161 WeakPolarHBondContact CB-SG 3.33Å; C157-C161 WeakPolarHBondContact SG-CA 3.41Å; C157-C161 WeakPolarHBondContact SG-CB 3.22Å; C157-C161 CovalentContact SG-SG 2.04Å; C157-C161 PolarHBondContact SG-SG 2.76Å; C161-G219 WeakPolarHBondContact CB-O 3.36Å; C161-G219 PolarHBondContact N-O 2.99Å; C161-G219 WeakPolarHBondContact O-CA 3.32Å
162	P	96.9	Very high	96.3	Very high	50 Å²	50	81.2 Å²	81.2	33%	0.325	42%	0.415	S	S	.	.			trans	-74.4	139.5	175.1	29.9	-34.3	0	0	0	111.2	P152 D156 R164	P152-P162 HydrophobicContact CB-CG 4.36Å; D156-P162 HydrophobicContact CB-CG 4.34Å; D156-P162 VanDerWaalsContact O-CD 3.26Å; D156-P162 WeakPolarHBondContact O-CD 3.32Å; P162-R164 HydrophobicContact CB-CG 4.47Å; P162-R164 HydrophobicContact CG-CG 4.46Å; P162-R164 PolarHBondContact O-N 3.2Å
163	L	96	Very high	96.4	Very high	109 Å²	109	81.3 Å²	81.3	57%	0.571	42%	0.415	S	S	*	.			trans	-81.2	103.9	164.4	178.8	63.6	0	0	0	108.7	Y149 C165 T171	Y149-L163 HydrophobicContact CD2-CD1 4.39Å; Y149-L163 HydrophobicContact CE2-CD1 3.99Å; L163-C165 HydrophobicContact CG-CB 4.47Å; L163-C165 PolarHBondContact O-N 3.04Å; L163-T171 HydrophobicContact CD2-CG2 4.28Å
164	R	96.9	Very high	96.5	Very high	80 Å²	80	77.6 Å²	77.6	30%	0.302	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	93.2	175.5	-64.4	178.6	177	152.4	1	109.8	S150 D156 P162 Y166	S150-R164 PolarHBondContact N-O 3.06Å; D156-R164 VanDerWaalsContact CG-NH1 3.35Å; D156-R164 IonicContact OD1-CZ 3.77Å; D156-R164 IonicContact OD1-NH1 3.76Å; D156-R164 IonicContact OD1-NH2 3.25Å; D156-R164 PolarHBondContact OD1-NH2 3.47Å; D156-R164 IonicContact OD2-CZ 3.75Å; D156-R164 IonicContact OD2-NH1 3.91Å; D156-R164 PolarHBondContact OD2-NH1 2.81Å; D156-R164 IonicContact OD2-NH2 2.84Å; P162-R164 HydrophobicContact CB-CG 4.47Å; P162-R164 HydrophobicContact CG-CG 4.46Å; P162-R164 PolarHBondContact O-N 3.2Å; R164-Y166 HydrophobicContact CB-CE2 4.3Å
165	C	97.5	Very high	96.7	Very high	42 Å²	42	73.1 Å²	73.1	28%	0.284	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.7	177	-173.7	0	0	0	0	109.7	L163 C170	L163-C165 HydrophobicContact CG-CB 4.47Å; L163-C165 PolarHBondContact O-N 3.04Å; C165-C170 WeakPolarHBondContact CA-SG 3.18Å; C165-C170 HydrophobicContact CB-CB 3.72Å; C165-C170 WeakPolarHBondContact CB-SG 3.44Å; C165-C170 WeakPolarHBondContact SG-CB 3.31Å; C165-C170 PolarHBondContact SG-N 2.77Å; C165-C170 VanDerWaalsContact SG-N 3.41Å; C165-C170 CovalentContact SG-SG 2.03Å; C165-C170 PolarHBondContact SG-SG 2.82Å
166	Y	97.4	Very high	96.8	Very high	169 Å²	169	62.9 Å²	62.9	66%	0.663	33%	0.333	S	S	*	.			trans	-106.4	-6.6	-177.4	-59	-77.4	0	0	0	113.1	D148 R164	D148-Y166 WeakPolarHBondContact O-CD2 3.39Å; D148-Y166 PolarHBondContact O-N 2.8Å; R164-Y166 HydrophobicContact CB-CE2 4.3Å
167	G	95.9	Very high	97	Very high	24 Å²	24	60.8 Å²	60.8	25%	0.247	32%	0.322	C	S	.	.	S	Bend	trans	-104.5	-177.1	177.2	0	0	0	0	0	111.9	M169	G167-M169 PolarHBondContact O-N 3.16Å
168	P	95.1	Very high	97.1	Very high	132 Å²	132	59.6 Å²	59.6	86%	0.857	31%	0.313	S	S	*	.	S	Bend	trans	-68.5	-22.6	-179.6	28.8	-35.3	0	0	0	113
169	M	96.8	Very high	97.5	Very high	82 Å²	82	52.7 Å²	52.7	40%	0.404	28%	0.276	S	S	.	.			trans	-158	139.5	-178.3	-167.1	63.8	74.4	0	0	110.4	E145 G167 T171 H172	E145-M169 WeakPolarHBondContact CB-O 3.22Å; E145-M169 WeakPolarHBondContact CG-O 3.14Å; E145-M169 WeakPolarHBondContact OE1-CB 3.5Å; E145-M169 WeakPolarHBondContact OE1-CG 3.34Å; G167-M169 PolarHBondContact O-N 3.16Å; M169-T171 PolarHBondContact SD-OG1 2.93Å; M169-H172 WeakPolarHBondContact CG-ND1 3.46Å
170	C	98.1	Very high	97.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.014	25%	0.252	C	S	.	.			trans	-134.6	-5.7	171.5	-56.9	0	0	0	0	113.5	E145 Y149 C165 H172 Y173 T174	E145-C170 WeakPolarHBondContact OE2-CA 3.42Å; Y149-C170 HydrophobicContact CD2-CB 4.07Å; C165-C170 WeakPolarHBondContact CA-SG 3.18Å; C165-C170 HydrophobicContact CB-CB 3.72Å; C165-C170 WeakPolarHBondContact CB-SG 3.44Å; C165-C170 WeakPolarHBondContact SG-CB 3.31Å; C165-C170 PolarHBondContact SG-N 2.77Å; C165-C170 VanDerWaalsContact SG-N 3.41Å; C165-C170 CovalentContact SG-SG 2.03Å; C165-C170 PolarHBondContact SG-SG 2.82Å; C170-H172 VanDerWaalsContact C-N 3.31Å; C170-H172 PolarHBondContact O-N 3.4Å; C170-Y173 PolarHBondContact O-N 3.26Å; C170-T174 PolarHBondContact O-N 3.04Å; C170-T174 VanDerWaalsContact O-N 3.14Å; C170-T174 PolarHBondContact O-OG1 2.84Å
171	T	98.2	Very high	97.8	Very high	46 Å²	46	40.7 Å²	40.7	28%	0.282	22%	0.22	S	C	.	.	H	α-helix	trans	-77.1	-19.9	-169.9	55.3	0	0	0	0	112.6	E145 L163 M169 T174 Q175 N216	E145-T171 PolarHBondContact OE2-N 3.44Å; L163-T171 HydrophobicContact CD2-CG2 4.28Å; M169-T171 PolarHBondContact SD-OG1 2.93Å; T171-T174 VanDerWaalsContact CA-OG1 3.32Å; T171-T174 WeakPolarHBondContact CA-OG1 3.42Å; T171-T174 PolarHBondContact O-OG1 3.48Å; T171-Q175 WeakPolarHBondContact O-CB 3.43Å; T171-Q175 PolarHBondContact O-N 2.62Å; T171-Q175 VanDerWaalsContact O-N 3.1Å; T171-N216 PolarHBondContact O-ND2 3.49Å
172	H	98.8	Very high	97.8	Very high	25 Å²	25	41.5 Å²	41.5	12%	0.116	22%	0.223	C	C	.	.	H	α-helix	trans	-71.4	-44.8	173	-53.1	113.5	0	0	0	110	N124 W142 E145 M169 C170 Q175 M176	N124-H172 PolarHBondContact ND2-O 3.49Å; W142-H172 HydrophobicContact CB-CB 3.59Å; W142-H172 VanDerWaalsContact CD1-CB 3.44Å; W142-H172 AromaticContact CD1-CD2 3.91Å; W142-H172 AromaticContact CD1-CG 3.5Å; W142-H172 AromaticContact CD1-ND1 3.91Å; W142-H172 HydrophobicContact CG-CB 3.6Å; W142-H172 AromaticContact NE1-CD2 3.93Å; W142-H172 AromaticContact NE1-CG 3.99Å; E145-H172 IonicContact OE1-CE1 3.52Å; E145-H172 IonicContact OE1-CG 3.62Å; E145-H172 IonicContact OE1-ND1 3.57Å; E145-H172 PolarHBondContact OE1-ND1 3.36Å; E145-H172 WeakPolarHBondContact OE2-CA 3.36Å; E145-H172 WeakPolarHBondContact OE2-CB 3.4Å; E145-H172 IonicContact OE2-CG 2.91Å; E145-H172 PolarHBondContact OE2-N 2.94Å; E145-H172 IonicContact OE2-ND1 3.63Å; M169-H172 WeakPolarHBondContact CG-ND1 3.46Å; C170-H172 VanDerWaalsContact C-N 3.31Å; C170-H172 PolarHBondContact O-N 3.4Å; H172-Q175 PolarHBondContact O-N 3.15Å; H172-M176 WeakPolarHBondContact O-CG 3.11Å; H172-M176 PolarHBondContact O-N 3.16Å
173	Y	98.9	Very high	97.9	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-56.8	-52.8	173.5	169.8	-109.6	0	0	0	111.1	V77 W142 Y143 E145 V146 Y149 C170 Q175 M176 V177	V77-Y173 HydrophobicContact CG1-CE2 4.48Å; W142-Y173 VanDerWaalsContact O-CA 3.25Å; W142-Y173 WeakPolarHBondContact O-CA 3.02Å; W142-Y173 VanDerWaalsContact O-CB 3.25Å; W142-Y173 WeakPolarHBondContact O-CB 3.37Å; W142-Y173 PolarHBondContact O-N 3.07Å; Y143-Y173 HydrophobicContact CD2-CD2 4.08Å; Y143-Y173 AromaticContact CD2-CE2 3.99Å; Y143-Y173 HydrophobicContact CD2-CE2 3.99Å; Y143-Y173 HydrophobicContact CE2-CE2 4.16Å; E145-Y173 PolarHBondContact OE2-N 3.3Å; V146-Y173 HydrophobicContact CB-CD1 4.31Å; V146-Y173 HydrophobicContact CB-CD2 3.83Å; V146-Y173 HydrophobicContact CB-CE1 4.18Å; V146-Y173 HydrophobicContact CB-CE2 3.68Å; V146-Y173 HydrophobicContact CB-CG 4.14Å; V146-Y173 HydrophobicContact CG2-CD1 4.47Å; V146-Y173 HydrophobicContact CG2-CD2 4.34Å; V146-Y173 HydrophobicContact CG2-CE1 3.86Å; V146-Y173 HydrophobicContact CG2-CE2 3.72Å; V146-Y173 VanDerWaalsContact CG2-CZ 3.44Å; Y149-Y173 AromaticContact CD1-CD1 3.82Å; Y149-Y173 HydrophobicContact CD1-CD1 3.82Å; Y149-Y173 AromaticContact CD1-CE1 3.47Å; Y149-Y173 HydrophobicContact CD1-CE1 3.47Å; Y149-Y173 VanDerWaalsContact CD1-CE1 3.47Å; Y149-Y173 HydrophobicContact CE1-CD1 4.4Å; Y149-Y173 AromaticContact CE1-CE1 3.9Å; Y149-Y173 HydrophobicContact CE1-CE1 3.9Å; Y149-Y173 AromaticContact CG-CD1 3.98Å; Y149-Y173 HydrophobicContact CG-CD1 3.98Å; Y149-Y173 HydrophobicContact CG-CE1 4.13Å; C170-Y173 PolarHBondContact O-N 3.26Å; Y173-Q175 PolarHBondContact O-N 3.12Å; Y173-M176 WeakPolarHBondContact O-CB 3.07Å; Y173-M176 PolarHBondContact O-N 3.1Å; Y173-V177 HydrophobicContact CD1-CG2 4.36Å; Y173-V177 HydrophobicContact CD2-CG1 4.28Å; Y173-V177 HydrophobicContact CE1-CG2 3.93Å; Y173-V177 HydrophobicContact CE2-CG1 3.66Å; Y173-V177 HydrophobicContact CE2-CG2 4.22Å; Y173-V177 WeakPolarHBondContact O-CG2 3.3Å; Y173-V177 PolarHBondContact O-N 3.06Å; Y173-V177 VanDerWaalsContact O-N 3.09Å
174	T	98.8	Very high	98	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-32.3	-177.4	56.3	0	0	0	0	112.5	Y149 C170 T171 V177 W178 N216 P222	Y149-T174 HydrophobicContact CD2-CG2 3.84Å; Y149-T174 HydrophobicContact CE1-CG2 4.37Å; Y149-T174 HydrophobicContact CE2-CG2 3.41Å; Y149-T174 VanDerWaalsContact CE2-CG2 3.41Å; Y149-T174 HydrophobicContact CG-CG2 4.46Å; C170-T174 PolarHBondContact O-N 3.04Å; C170-T174 VanDerWaalsContact O-N 3.14Å; C170-T174 PolarHBondContact O-OG1 2.84Å; T171-T174 VanDerWaalsContact CA-OG1 3.32Å; T171-T174 WeakPolarHBondContact CA-OG1 3.42Å; T171-T174 PolarHBondContact O-OG1 3.48Å; T174-V177 CarbonylContact O-C 3.47Å; T174-V177 PolarHBondContact O-N 2.9Å; T174-W178 PolarHBondContact O-N 3.24Å; T174-N216 WeakPolarHBondContact CB-OD1 3.32Å; T174-N216 PolarHBondContact OG1-OD1 2.95Å; T174-P222 HydrophobicContact CG2-CG 3.76Å
175	Q	98.9	Very high	98.1	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-68.4	-40.8	172.7	-178.4	56.6	87.4	0	0	112.2	N124 T171 H172 Y173 V177 W178 S181 Y211 N216	N124-Q175 WeakPolarHBondContact OD1-CB 3.37Å; T171-Q175 WeakPolarHBondContact O-CB 3.43Å; T171-Q175 PolarHBondContact O-N 2.62Å; T171-Q175 VanDerWaalsContact O-N 3.1Å; H172-Q175 PolarHBondContact O-N 3.15Å; Y173-Q175 PolarHBondContact O-N 3.12Å; Q175-V177 PolarHBondContact O-N 2.95Å; Q175-W178 PolarHBondContact O-N 2.79Å; Q175-S181 PolarHBondContact NE2-OG 2.04Å; Q175-Y211 HydrophobicContact CG-CD1 4.14Å; Q175-Y211 HydrophobicContact CG-CD2 3.42Å; Q175-Y211 VanDerWaalsContact CG-CD2 3.42Å; Q175-Y211 HydrophobicContact CG-CE1 4.27Å; Q175-Y211 HydrophobicContact CG-CE2 3.6Å; Q175-Y211 HydrophobicContact CG-CG 3.72Å; Q175-N216 PolarHBondContact N-OD1 3.32Å
176	M	98.9	Very high	98.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.2	-38.7	176.2	-67.9	-176.7	72.1	0	0	111.7	Y73 V77 R78 V139 W142 H172 Y173	Y73-M176 HydrophobicContact CD1-CE 3.91Å; Y73-M176 HydrophobicContact CE1-CE 3.88Å; V77-M176 HydrophobicContact CG2-CE 4.3Å; R78-M176 VanDerWaalsContact CG-O 3.31Å; R78-M176 WeakPolarHBondContact CG-O 3.49Å; R78-M176 PolarHBondContact NH1-O 3.34Å; V139-M176 HydrophobicContact CG1-CE 3.99Å; W142-M176 HydrophobicContact CB-CG 4.37Å; W142-M176 HydrophobicContact CB-SD 3.47Å; W142-M176 WeakPolarHBondContact CB-SD 3.43Å; W142-M176 HydrophobicContact CE3-SD 4.29Å; H172-M176 WeakPolarHBondContact O-CG 3.11Å; H172-M176 PolarHBondContact O-N 3.16Å; Y173-M176 WeakPolarHBondContact O-CB 3.07Å; Y173-M176 PolarHBondContact O-N 3.1Å
177	V	98.8	Very high	98.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	16.3	-178.6	-57.4	0	0	0	0	113.8	V77 V81 M88 Y173 T174 Q175 A179 P222 Y223	V77-V177 HydrophobicContact CG1-CG1 3.67Å; V81-V177 HydrophobicContact CG1-CB 3.88Å; V81-V177 HydrophobicContact CG1-CG1 3.45Å; V81-V177 VanDerWaalsContact CG1-CG1 3.45Å; M88-V177 HydrophobicContact CE-CB 4.38Å; M88-V177 WeakPolarHBondContact CE-O 3.18Å; Y173-V177 HydrophobicContact CD1-CG2 4.36Å; Y173-V177 HydrophobicContact CD2-CG1 4.28Å; Y173-V177 HydrophobicContact CE1-CG2 3.93Å; Y173-V177 HydrophobicContact CE2-CG1 3.66Å; Y173-V177 HydrophobicContact CE2-CG2 4.22Å; Y173-V177 WeakPolarHBondContact O-CG2 3.3Å; Y173-V177 PolarHBondContact O-N 3.06Å; Y173-V177 VanDerWaalsContact O-N 3.09Å; T174-V177 CarbonylContact O-C 3.47Å; T174-V177 PolarHBondContact O-N 2.9Å; Q175-V177 PolarHBondContact O-N 2.95Å; V177-A179 PolarHBondContact O-N 3.08Å; V177-P222 HydrophobicContact CG2-CB 4.03Å; V177-Y223 HydrophobicContact CB-CD1 4.42Å; V177-Y223 HydrophobicContact CB-CE1 4.31Å; V177-Y223 HydrophobicContact CG2-CD1 4.33Å; V177-Y223 HydrophobicContact CG2-CE1 4.07Å; V177-Y223 WeakPolarHBondContact O-CD1 3.01Å
178	W	98.9	Very high	98.2	Very high	8 Å²	8	23.3 Å²	23.3	3%	0.03	13%	0.129	C	C	.	.			trans	-71.6	113.3	178.8	-158.9	-91.5	0	0	0	110.3	R78 T174 Q175 T180 S181 G215 N216 W217 E220 P222	R78-W178 PolarHBondContact NH1-O 3.21Å; R78-W178 PolarHBondContact NH2-O 3.23Å; R78-W178 VanDerWaalsContact NH2-O 3.12Å; T174-W178 PolarHBondContact O-N 3.24Å; Q175-W178 PolarHBondContact O-N 2.79Å; W178-T180 VanDerWaalsContact C-N 3.29Å; W178-T180 VanDerWaalsContact CD1-OG1 3.23Å; W178-T180 PolarHBondContact NE1-OG1 3.45Å; W178-T180 PolarHBondContact O-N 3.43Å; W178-S181 PolarHBondContact O-N 2.78Å; W178-S181 VanDerWaalsContact O-N 3.09Å; W178-G215 VanDerWaalsContact CD1-CA 3.44Å; W178-G215 VanDerWaalsContact CD2-CA 3.41Å; W178-G215 VanDerWaalsContact CG-CA 3.41Å; W178-N216 VanDerWaalsContact CZ3-CA 3.42Å; W178-W217 HydrophobicContact CH2-CB 4.27Å; W178-W217 VanDerWaalsContact CH2-N 3.34Å; W178-W217 HydrophobicContact CZ2-CB 4.06Å; W178-W217 AromaticContact CZ2-CD1 3.77Å; W178-W217 HydrophobicContact CZ2-CG 4.34Å; W178-E220 HydrophobicContact CH2-CB 3.84Å; W178-E220 HydrophobicContact CZ2-CB 4.06Å; W178-P222 CarbonylContact C-O 3.48Å; W178-P222 WeakPolarHBondContact CA-O 3.42Å; W178-P222 VanDerWaalsContact CE3-CA 3.48Å; W178-P222 HydrophobicContact CE3-CB 3.83Å; W178-P222 HydrophobicContact CE3-CG 4.31Å; W178-P222 HydrophobicContact CZ3-CB 4.14Å; W178-P222 HydrophobicContact CZ3-CG 4.22Å
179	A	98.6	Very high	98.3	Very high	2 Å²	2	18.8 Å²	18.8	2%	0.017	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-44.1	-168.2	0	0	0	0	0	113	R78 M88 E89 V177 P222	R78-A179 PolarHBondContact NH2-O 3.1Å; M88-A179 HydrophobicContact SD-CB 4.46Å; E89-A179 VanDerWaalsContact CB-O 3.22Å; E89-A179 WeakPolarHBondContact CB-O 3.44Å; E89-A179 WeakPolarHBondContact CG-O 3.37Å; E89-A179 PolarHBondContact N-O 3.24Å; V177-A179 PolarHBondContact O-N 3.08Å; A179-P222 PolarHBondContact N-O 3.12Å
180	T	98.3	Very high	98.2	Very high	52 Å²	52	18.4 Å²	18.4	32%	0.319	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-20.2	-176	56	0	0	0	0	113.5	W178 N182 P213	W178-T180 VanDerWaalsContact C-N 3.29Å; W178-T180 VanDerWaalsContact CD1-OG1 3.23Å; W178-T180 PolarHBondContact NE1-OG1 3.45Å; W178-T180 PolarHBondContact O-N 3.43Å; T180-N182 VanDerWaalsContact C-N 3.3Å; T180-N182 PolarHBondContact O-N 2.92Å; T180-P213 VanDerWaalsContact O-CD 3.25Å; T180-P213 WeakPolarHBondContact O-CD 3.43Å
181	S	98.6	Very high	98.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.			trans	-69.4	88.2	176.7	-62.9	0	0	0	0	109.6	R78 M91 Q175 W178 P213	R78-S181 PolarHBondContact NH2-O 3.21Å; M91-S181 WeakPolarHBondContact CE-O 3.32Å; Q175-S181 PolarHBondContact NE2-OG 2.04Å; W178-S181 PolarHBondContact O-N 2.78Å; W178-S181 VanDerWaalsContact O-N 3.09Å; S181-P213 WeakPolarHBondContact CB-O 3.4Å; S181-P213 PolarHBondContact OG-O 3.1Å
182	N	97.7	Very high	97.9	Very high	38 Å²	38	23 Å²	23	20%	0.203	12%	0.117	C	C	.	.			trans	-100.6	0.8	-173.8	67.2	4.8	0	0	0	113.2	E89 M91 V92 T180 S212 Y236	E89-N182 HydrophobicContact CB-CB 3.86Å; E89-N182 PolarHBondContact OE2-ND2 2.8Å; M91-N182 CarbonylContact C-O 3.28Å; M91-N182 VanDerWaalsContact CA-O 3.29Å; M91-N182 WeakPolarHBondContact CA-O 3.48Å; V92-N182 WeakPolarHBondContact CG2-O 3.37Å; V92-N182 PolarHBondContact N-O 3.24Å; T180-N182 VanDerWaalsContact C-N 3.3Å; T180-N182 PolarHBondContact O-N 2.92Å; N182-S212 PolarHBondContact N-O 2.96Å; N182-S212 PolarHBondContact OD1-O 2.97Å; N182-Y236 PolarHBondContact ND2-OH 2.73Å
183	K	98.6	Very high	97.7	Very high	79 Å²	79	25.7 Å²	25.7	34%	0.343	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.4	174	-68.9	169.7	165.4	-145.8	0	111.3	V92 D94 L97 Y211 S212	V92-K183 HydrophobicContact CG2-CG 3.92Å; V92-K183 WeakPolarHBondContact O-CA 3.33Å; D94-K183 HydrophobicContact CB-CB 4.05Å; D94-K183 HydrophobicContact CB-CD 4.35Å; D94-K183 HydrophobicContact CB-CG 4.34Å; D94-K183 WeakPolarHBondContact OD2-CD 3.37Å; D94-K183 IonicContact OD2-NZ 3.51Å; D94-K183 PolarHBondContact OD2-NZ 3.08Å; L97-K183 HydrophobicContact CD1-CB 3.86Å; K183-Y211 WeakPolarHBondContact O-CA 3.4Å; K183-S212 WeakPolarHBondContact CB-O 3.22Å; K183-S212 PolarHBondContact N-O 3.28Å; K183-S212 PolarHBondContact O-N 3.42Å
184	I	98.8	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	144.6	172.8	-169.9	176.1	0	0	0	110.6	I70 L71 H74 M91 V92 W93 D94 C209 N210 Y211	I70-I184 HydrophobicContact CG2-CD1 3.92Å; L71-I184 HydrophobicContact CD1-CG2 3.76Å; H74-I184 VanDerWaalsContact CE1-CD1 3.46Å; H74-I184 WeakPolarHBondContact CE1-CD1 2.95Å; H74-I184 WeakPolarHBondContact NE2-CD1 3.4Å; M91-I184 HydrophobicContact CG-CB 4.11Å; M91-I184 HydrophobicContact CG-CG2 3.77Å; M91-I184 HydrophobicContact SD-CB 3.62Å; M91-I184 HydrophobicContact SD-CD1 4.17Å; M91-I184 HydrophobicContact SD-CG1 4.46Å; M91-I184 HydrophobicContact SD-CG2 3.57Å; M91-I184 VanDerWaalsContact SD-CG2 3.57Å; V92-I184 PolarHBondContact O-N 3.33Å; W93-I184 CarbonylContact C-O 3.5Å; W93-I184 WeakPolarHBondContact CA-O 3.38Å; W93-I184 HydrophobicContact CE3-CG2 4.25Å; D94-I184 PolarHBondContact N-O 2.93Å; I184-C209 HydrophobicContact CD1-CB 4.3Å; I184-C209 HydrophobicContact CG1-CB 4.47Å; I184-N210 VanDerWaalsContact CA-O 3.32Å; I184-N210 WeakPolarHBondContact CA-O 3.49Å; I184-Y211 HydrophobicContact CB-CD1 4.35Å; I184-Y211 HydrophobicContact CB-CE1 4.42Å; I184-Y211 HydrophobicContact CD1-CD1 4.25Å; I184-Y211 HydrophobicContact CD1-CE1 3.52Å; I184-Y211 HydrophobicContact CG1-CD1 4.14Å; I184-Y211 HydrophobicContact CG1-CE1 3.9Å
185	G	98.4	Very high	97.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	137	164.6	0	0	0	0	0	110.1	N210	G185-N210 PolarHBondContact N-O 3.19Å; G185-N210 PolarHBondContact O-N 2.89Å
186	C	98.6	Very high	97.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	158.2	-173.3	-49.4	0	0	0	0	112.6	I62 I70 W93 L207 V208 C209	I62-C186 HydrophobicContact CD1-CB 4.31Å; I62-C186 WeakPolarHBondContact CG2-O 3.49Å; I70-C186 HydrophobicContact CD1-CB 3.91Å; W93-C186 HydrophobicContact CH2-CB 3.8Å; W93-C186 HydrophobicContact CZ3-CB 4.29Å; C186-L207 HydrophobicContact CB-CD1 4.03Å; C186-V208 CarbonylContact C-O 3.56Å; C186-V208 WeakPolarHBondContact CA-O 3.46Å; C186-V208 VanDerWaalsContact CB-O 3.29Å; C186-V208 WeakPolarHBondContact CB-O 3.05Å; C186-C209 HydrophobicContact CB-CB 4.04Å; C186-C209 WeakPolarHBondContact CB-SG 3.48Å; C186-C209 VanDerWaalsContact SG-CA 3.51Å; C186-C209 WeakPolarHBondContact SG-CB 3.04Å; C186-C209 CovalentContact SG-SG 2.03Å; C186-C209 PolarHBondContact SG-SG 3.12Å
187	A	98.1	Very high	97.1	Very high	1 Å²	1	39 Å²	39	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.7	170.1	0	0	0	0	0	110.9	A101 E102 A105 L207 V208	A101-A187 HydrophobicContact CB-CB 4.14Å; E102-A187 HydrophobicContact CB-CB 3.69Å; E102-A187 VanDerWaalsContact N-CB 3.27Å; A105-A187 HydrophobicContact CB-CB 4.42Å; A187-L207 WeakPolarHBondContact O-CA 3.48Å; A187-L207 WeakPolarHBondContact O-CD1 3.32Å; A187-V208 PolarHBondContact N-O 3.48Å; A187-V208 PolarHBondContact O-N 3.02Å
188	V	97	Very high	97	Very high	10 Å²	10	42.4 Å²	42.4	6%	0.061	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.4	175.5	62.8	0	0	0	0	109.8	Y61 I62 Y132 I135 T205 Y206 L207	Y61-V188 VanDerWaalsContact O-CG1 3.27Å; Y61-V188 WeakPolarHBondContact O-CG1 3.49Å; Y61-V188 VanDerWaalsContact O-O 3.1Å; I62-V188 HydrophobicContact CB-CG1 4.48Å; I62-V188 HydrophobicContact CG1-CG1 4.45Å; Y132-V188 HydrophobicContact CE1-CG2 4.16Å; I135-V188 HydrophobicContact CD1-CB 4.19Å; I135-V188 HydrophobicContact CD1-CG1 4.35Å; I135-V188 HydrophobicContact CD1-CG2 4.27Å; V188-T205 HydrophobicContact CG2-CG2 3.58Å; V188-Y206 CarbonylContact C-O 3.54Å; V188-Y206 VanDerWaalsContact CA-O 3.3Å; V188-Y206 WeakPolarHBondContact CA-O 3.48Å; V188-L207 HydrophobicContact CB-CD1 4.35Å
189	H	95.8	Very high	96.8	Very high	37 Å²	37	44.3 Å²	44.3	17%	0.171	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.6	178.5	-169.6	81.2	0	0	0	110.5	Y61 A105 H106 C108 Y206	Y61-H189 AromaticContact CD1-ND1 3.86Å; Y61-H189 AromaticContact CE1-ND1 3.68Å; A105-H189 HydrophobicContact CB-CB 3.84Å; H106-H189 AromaticContact CD2-ND1 3.66Å; H106-H189 AromaticContact CE1-CE1 3.36Å; H106-H189 PolarHBondContact CE1-CE1 2.87Å; H106-H189 AromaticContact CE1-ND1 3.55Å; H106-H189 AromaticContact ND1-CE1 3.86Å; H106-H189 AromaticContact NE2-CE1 3.51Å; H106-H189 AromaticContact NE2-ND1 3.18Å; H106-H189 PolarHBondContact NE2-ND1 3.46Å; H106-H189 VanDerWaalsContact NE2-ND1 3.18Å; C108-H189 VanDerWaalsContact SG-CD2 3.58Å; H189-Y206 PolarHBondContact N-O 2.76Å; H189-Y206 PolarHBondContact O-N 2.82Å
190	T	95.3	Very high	96.7	Very high	75 Å²	75	48.9 Å²	48.9	46%	0.46	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	102.2	173	-58.9	0	0	0	0	109.6	R203 A204	T190-R203 HydrophobicContact CG2-CB 4.49Å; T190-A204 CarbonylContact C-O 3.37Å; T190-A204 WeakPolarHBondContact CA-O 3.4Å
191	C	95.7	Very high	96.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	130.2	178.3	-63.4	0	0	0	0	111.1	C108 M194 R203 A204	C108-C191 WeakPolarHBondContact CA-SG 3.47Å; C108-C191 HydrophobicContact CB-CB 3.68Å; C108-C191 WeakPolarHBondContact CB-SG 3.49Å; C108-C191 WeakPolarHBondContact SG-CA 3.41Å; C108-C191 WeakPolarHBondContact SG-CB 3.46Å; C108-C191 CovalentContact SG-SG 2.03Å; C108-C191 PolarHBondContact SG-SG 2.92Å; C191-M194 HydrophobicContact CB-CB 3.98Å; C191-M194 HydrophobicContact CB-SD 4.21Å; C191-R203 CarbonylContact O-C 3.48Å; C191-R203 WeakPolarHBondContact O-CA 3.24Å; C191-R203 PolarHBondContact O-N 3.18Å; C191-A204 HydrophobicContact CB-CB 4.4Å; C191-A204 PolarHBondContact N-O 2.92Å; C191-A204 PolarHBondContact O-N 3.36Å
192	H	94.8	Very high	96.4	Very high	145 Å²	145	56.8 Å²	56.8	67%	0.671	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	-49.5	178.2	-178.6	72.1	0	0	0	111.4	K202 R203	H192-K202 CarbonylContact O-C 3.49Å; H192-K202 WeakPolarHBondContact O-CA 3.48Å; H192-R203 PolarHBondContact O-N 2.73Å
193	N	94.4	Very high	96.3	Very high	81 Å²	81	62.1 Å²	62.1	43%	0.433	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.5	170.2	-65.6	-47.5	0	0	0	108	V200	N193-V200 HydrophobicContact CB-CG1 3.98Å
194	M	96.3	Very high	96.1	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	129.5	176.6	-172.8	169.5	-173.8	0	0	108.4	C108 L109 W110 V127 C191 V196 W201 A204 Y206	C108-M194 WeakPolarHBondContact O-CG 3.45Å; L109-M194 VanDerWaalsContact C-CE 3.44Å; W110-M194 HydrophobicContact CB-CE 3.76Å; W110-M194 HydrophobicContact CE3-CE 3.95Å; V127-M194 HydrophobicContact CG2-SD 4.13Å; C191-M194 HydrophobicContact CB-CB 3.98Å; C191-M194 HydrophobicContact CB-SD 4.21Å; M194-V196 HydrophobicContact CB-CG2 4.25Å; M194-V196 HydrophobicContact CG-CG2 3.86Å; M194-V196 PolarHBondContact O-N 3.45Å; M194-V196 HydrophobicContact SD-CG2 4.34Å; M194-W201 PolarHBondContact N-O 3.09Å; M194-W201 VanDerWaalsContact N-O 3.08Å; M194-W201 PolarHBondContact O-N 3.12Å; M194-A204 HydrophobicContact CB-CB 3.98Å; M194-A204 HydrophobicContact SD-CB 4.19Å; M194-Y206 HydrophobicContact CE-CD1 3.6Å; M194-Y206 HydrophobicContact CE-CD2 3.86Å; M194-Y206 HydrophobicContact CE-CE1 3.68Å; M194-Y206 HydrophobicContact CE-CE2 3.97Å; M194-Y206 HydrophobicContact CE-CG 3.68Å; M194-Y206 HydrophobicContact SD-CD1 4.27Å; M194-Y206 HydrophobicContact SD-CG 4.11Å
195	N	96.8	Very high	96	Very high	100 Å²	100	58.5 Å²	58.5	54%	0.535	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	113.4	172.9	-175.4	-3.3	0	0	0	108.4	W110 G198 A199	W110-N195 VanDerWaalsContact CB-O 3.24Å; W110-N195 WeakPolarHBondContact CB-O 3.41Å; N195-G198 VanDerWaalsContact OD1-C 3.3Å; N195-G198 WeakPolarHBondContact OD1-CA 3.33Å; N195-G198 PolarHBondContact OD1-N 3.13Å; N195-G198 VanDerWaalsContact OD1-N 3.13Å; N195-A199 PolarHBondContact OD1-N 2.85Å
196	V	96.4	Very high	96	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.5	-179.9	-170.4	0	0	0	0	107.2	W110 V127 M194 G198 A199 W201	W110-V196 HydrophobicContact CB-CG2 4.36Å; W110-V196 HydrophobicContact CD2-CG1 4.07Å; W110-V196 HydrophobicContact CG-CB 4.38Å; W110-V196 HydrophobicContact CG-CG1 3.89Å; W110-V196 HydrophobicContact CG-CG2 4.37Å; V127-V196 HydrophobicContact CG1-CG1 3.69Å; V127-V196 HydrophobicContact CG1-CG2 4.36Å; V127-V196 HydrophobicContact CG2-CG2 4.12Å; M194-V196 HydrophobicContact CB-CG2 4.25Å; M194-V196 HydrophobicContact CG-CG2 3.86Å; M194-V196 PolarHBondContact O-N 3.45Å; M194-V196 HydrophobicContact SD-CG2 4.34Å; V196-G198 VanDerWaalsContact C-N 3.26Å; V196-G198 PolarHBondContact O-N 2.82Å; V196-A199 PolarHBondContact N-O 3.02Å; V196-A199 PolarHBondContact O-N 3.5Å; V196-W201 HydrophobicContact CB-CD2 3.92Å; V196-W201 HydrophobicContact CB-CE3 4.41Å; V196-W201 HydrophobicContact CB-CG 4Å; V196-W201 HydrophobicContact CG1-CD2 4.34Å; V196-W201 HydrophobicContact CG1-CE3 4.49Å; V196-W201 HydrophobicContact CG1-CZ2 4.34Å; V196-W201 HydrophobicContact CG2-CB 4.13Å; V196-W201 HydrophobicContact CG2-CD2 3.96Å; V196-W201 HydrophobicContact CG2-CE3 4.18Å; V196-W201 HydrophobicContact CG2-CG 3.92Å
197	W	94.4	Very high	96	Very high	185 Å²	185	58.4 Å²	58.4	70%	0.701	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	39.4	-178.5	-52.3	-61.8	0	0	0	114.4	W110 V127 A199 W201	W110-W197 AromaticContact CE2-CZ2 3.95Å; W110-W197 HydrophobicContact CZ2-CH2 4.32Å; W110-W197 AromaticContact CZ2-CZ2 3.69Å; W110-W197 HydrophobicContact CZ2-CZ2 3.69Å; W110-W197 AromaticContact NE1-CD1 3.86Å; W110-W197 AromaticContact NE1-CE2 3.43Å; W110-W197 AromaticContact NE1-CZ2 3.77Å; W110-W197 AromaticContact NE1-NE1 3.29Å; V127-W197 HydrophobicContact CG1-CH2 4.29Å; W197-A199 VanDerWaalsContact C-N 3.32Å; W197-A199 PolarHBondContact O-N 2.84Å; W197-W201 HydrophobicContact CE3-CH2 4.36Å; W197-W201 AromaticContact CE3-CZ2 3.95Å; W197-W201 HydrophobicContact CE3-CZ2 3.95Å; W197-W201 HydrophobicContact CH2-CH2 4.49Å; W197-W201 AromaticContact CZ3-CH2 3.61Å; W197-W201 HydrophobicContact CZ3-CH2 3.61Å; W197-W201 AromaticContact CZ3-CZ2 3.65Å; W197-W201 HydrophobicContact CZ3-CZ2 3.65Å
198	G	95	Very high	96	Very high	72 Å²	72	58.4 Å²	58.4	74%	0.742	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	1.6	178.5	0	0	0	0	0	114.7	N195 V196	N195-G198 VanDerWaalsContact OD1-C 3.3Å; N195-G198 WeakPolarHBondContact OD1-CA 3.33Å; N195-G198 PolarHBondContact OD1-N 3.13Å; N195-G198 VanDerWaalsContact OD1-N 3.13Å; V196-G198 VanDerWaalsContact C-N 3.26Å; V196-G198 PolarHBondContact O-N 2.82Å
199	A	96.2	Very high	96.1	Very high	48 Å²	48	57.9 Å²	57.9	40%	0.397	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.4	176.8	0	0	0	0	0	111.6	N195 V196 W197 W201	N195-A199 PolarHBondContact OD1-N 2.85Å; V196-A199 PolarHBondContact N-O 3.02Å; V196-A199 PolarHBondContact O-N 3.5Å; W197-A199 VanDerWaalsContact C-N 3.32Å; W197-A199 PolarHBondContact O-N 2.84Å; A199-W201 PolarHBondContact O-N 2.93Å
200	V	96.3	Very high	96.3	Very high	98 Å²	98	56.3 Å²	56.3	59%	0.594	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	114.1	175.8	179.5	0	0	0	0	110.2	N193	N193-V200 HydrophobicContact CB-CG1 3.98Å
201	W	96.1	Very high	96.4	Very high	62 Å²	62	52.7 Å²	52.7	24%	0.235	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.9	174.3	-72.4	28	0	0	0	109.5	V127 T129 M194 V196 W197 A199 A204	V127-W201 HydrophobicContact CG1-CZ3 4.07Å; V127-W201 HydrophobicContact CG2-CE3 4.13Å; V127-W201 HydrophobicContact CG2-CZ3 4.3Å; T129-W201 HydrophobicContact CG2-CB 4.32Å; T129-W201 HydrophobicContact CG2-CD2 3.81Å; T129-W201 HydrophobicContact CG2-CE3 3.54Å; T129-W201 HydrophobicContact CG2-CG 4.19Å; T129-W201 HydrophobicContact CG2-CZ3 4.11Å; M194-W201 PolarHBondContact N-O 3.09Å; M194-W201 VanDerWaalsContact N-O 3.08Å; M194-W201 PolarHBondContact O-N 3.12Å; V196-W201 HydrophobicContact CB-CD2 3.92Å; V196-W201 HydrophobicContact CB-CE3 4.41Å; V196-W201 HydrophobicContact CB-CG 4Å; V196-W201 HydrophobicContact CG1-CD2 4.34Å; V196-W201 HydrophobicContact CG1-CE3 4.49Å; V196-W201 HydrophobicContact CG1-CZ2 4.34Å; V196-W201 HydrophobicContact CG2-CB 4.13Å; V196-W201 HydrophobicContact CG2-CD2 3.96Å; V196-W201 HydrophobicContact CG2-CE3 4.18Å; V196-W201 HydrophobicContact CG2-CG 3.92Å; W197-W201 HydrophobicContact CE3-CH2 4.36Å; W197-W201 AromaticContact CE3-CZ2 3.95Å; W197-W201 HydrophobicContact CE3-CZ2 3.95Å; W197-W201 HydrophobicContact CH2-CH2 4.49Å; W197-W201 AromaticContact CZ3-CH2 3.61Å; W197-W201 HydrophobicContact CZ3-CH2 3.61Å; W197-W201 AromaticContact CZ3-CZ2 3.65Å; W197-W201 HydrophobicContact CZ3-CZ2 3.65Å; A199-W201 PolarHBondContact O-N 2.93Å; W201-A204 HydrophobicContact CB-CB 4.08Å
202	K	94.5	Very high	96.6	Very high	157 Å²	157	54.2 Å²	54.2	68%	0.683	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	136.8	175.7	-64.1	-173.1	178.6	179.9	0	110.3	H192 A204	H192-K202 CarbonylContact O-C 3.49Å; H192-K202 WeakPolarHBondContact O-CA 3.48Å; K202-A204 VanDerWaalsContact C-N 3.28Å; K202-A204 PolarHBondContact O-N 3.41Å
203	R	94.3	Very high	96.7	Very high	149 Å²	149	50.3 Å²	50.3	56%	0.562	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.1	46.7	179.4	-55.9	-178.5	63	132.8	9.3	111.9	G130 T190 C191 H192 T205	G130-R203 PolarHBondContact N-O 3.1Å; T190-R203 HydrophobicContact CG2-CB 4.49Å; C191-R203 CarbonylContact O-C 3.48Å; C191-R203 WeakPolarHBondContact O-CA 3.24Å; C191-R203 PolarHBondContact O-N 3.18Å; H192-R203 PolarHBondContact O-N 2.73Å; R203-T205 PolarHBondContact O-N 3.19Å
204	A	95.8	Very high	96.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	124.6	178.2	0	0	0	0	0	109.8	V127 R128 T190 C191 M194 W201 K202	V127-A204 HydrophobicContact CG2-CB 3.94Å; R128-A204 CarbonylContact O-C 3.59Å; T190-A204 CarbonylContact C-O 3.37Å; T190-A204 WeakPolarHBondContact CA-O 3.4Å; C191-A204 HydrophobicContact CB-CB 4.4Å; C191-A204 PolarHBondContact N-O 2.92Å; C191-A204 PolarHBondContact O-N 3.36Å; M194-A204 HydrophobicContact CB-CB 3.98Å; M194-A204 HydrophobicContact SD-CB 4.19Å; W201-A204 HydrophobicContact CB-CB 4.08Å; K202-A204 VanDerWaalsContact C-N 3.28Å; K202-A204 PolarHBondContact O-N 3.41Å
205	T	96.8	Very high	97	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	118.1	167.6	-59.1	0	0	0	0	107.7	V127 R128 G130 Y132 L138 V188 R203	V127-T205 VanDerWaalsContact CA-O 3.31Å; V127-T205 WeakPolarHBondContact CA-O 3.29Å; R128-T205 PolarHBondContact N-O 3.24Å; R128-T205 PolarHBondContact O-N 3.22Å; G130-T205 PolarHBondContact O-OG1 3.21Å; Y132-T205 HydrophobicContact CD1-CG2 3.69Å; Y132-T205 HydrophobicContact CE1-CG2 3.94Å; L138-T205 HydrophobicContact CD1-CG2 3.93Å; L138-T205 HydrophobicContact CD2-CG2 4.41Å; V188-T205 HydrophobicContact CG2-CG2 3.58Å; R203-T205 PolarHBondContact O-N 3.19Å
206	Y	97.6	Very high	97	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122	-176.7	-177.8	-149	0	0	0	110.1	A105 L109 W110 E111 L125 S126 V127 V188 H189 M194 V208	A105-Y206 HydrophobicContact CB-CD1 4.39Å; L109-Y206 WeakPolarHBondContact O-CE1 3.22Å; L109-Y206 PolarHBondContact O-OH 2.83Å; W110-Y206 HydrophobicContact CE3-CD2 4.09Å; W110-Y206 AromaticContact CE3-CE2 3.66Å; W110-Y206 HydrophobicContact CE3-CE2 3.66Å; W110-Y206 AromaticContact CZ3-CD2 3.98Å; W110-Y206 HydrophobicContact CZ3-CD2 3.98Å; W110-Y206 AromaticContact CZ3-CE2 3.63Å; W110-Y206 HydrophobicContact CZ3-CE2 3.63Å; E111-Y206 PolarHBondContact O-OH 2.95Å; L125-Y206 HydrophobicContact CB-CE2 4.16Å; L125-Y206 WeakPolarHBondContact CD1-OH 3.45Å; L125-Y206 HydrophobicContact CD2-CE2 4Å; L125-Y206 WeakPolarHBondContact CD2-OH 3.34Å; L125-Y206 HydrophobicContact CG-CE2 4.45Å; S126-Y206 WeakPolarHBondContact O-CA 3.29Å; S126-Y206 WeakPolarHBondContact O-CD2 3.44Å; V127-Y206 HydrophobicContact CB-CD2 4.48Å; V188-Y206 CarbonylContact C-O 3.54Å; V188-Y206 VanDerWaalsContact CA-O 3.3Å; V188-Y206 WeakPolarHBondContact CA-O 3.48Å; H189-Y206 PolarHBondContact N-O 2.76Å; H189-Y206 PolarHBondContact O-N 2.82Å; M194-Y206 HydrophobicContact CE-CD1 3.6Å; M194-Y206 HydrophobicContact CE-CD2 3.86Å; M194-Y206 HydrophobicContact CE-CE1 3.68Å; M194-Y206 HydrophobicContact CE-CE2 3.97Å; M194-Y206 HydrophobicContact CE-CG 3.68Å; M194-Y206 HydrophobicContact SD-CD1 4.27Å; M194-Y206 HydrophobicContact SD-CG 4.11Å; Y206-V208 HydrophobicContact CD1-CG2 4.18Å; Y206-V208 HydrophobicContact CD2-CG2 4.44Å; Y206-V208 HydrophobicContact CE1-CG2 3.68Å; Y206-V208 HydrophobicContact CE2-CG2 3.94Å
207	L	98.4	Very high	97.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.7	174.7	173.2	65.5	0	0	0	109	I70 L125 S126 I135 L138 V139 W142 C186 A187 V188	I70-L207 HydrophobicContact CD1-CD1 4.28Å; L125-L207 WeakPolarHBondContact CA-O 3.21Å; S126-L207 PolarHBondContact N-O 3.03Å; S126-L207 PolarHBondContact O-N 3.19Å; I135-L207 HydrophobicContact CD1-CD1 4.28Å; I135-L207 HydrophobicContact CD1-CD2 4.43Å; L138-L207 HydrophobicContact CB-CB 4.17Å; L138-L207 HydrophobicContact CB-CD2 3.58Å; L138-L207 HydrophobicContact CD1-CB 4.37Å; L138-L207 HydrophobicContact CD2-CB 4.05Å; L138-L207 HydrophobicContact CG-CB 4.42Å; V139-L207 HydrophobicContact CG2-CD2 3.72Å; W142-L207 HydrophobicContact CH2-CD2 3.65Å; W142-L207 HydrophobicContact CH2-CG 4.06Å; W142-L207 HydrophobicContact CZ2-CD2 4.17Å; W142-L207 HydrophobicContact CZ2-CG 4.48Å; W142-L207 HydrophobicContact CZ3-CD2 4.37Å; C186-L207 HydrophobicContact CB-CD1 4.03Å; A187-L207 WeakPolarHBondContact O-CA 3.48Å; A187-L207 WeakPolarHBondContact O-CD1 3.32Å; V188-L207 HydrophobicContact CB-CD1 4.35Å
208	V	98.8	Very high	97.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.8	171.7	-178	0	0	0	0	107.7	A101 W104 A105 Q123 L125 C186 A187 Y206	A101-V208 HydrophobicContact CB-CB 4.15Å; A101-V208 HydrophobicContact CB-CG1 3.9Å; W104-V208 HydrophobicContact CB-CG1 4.47Å; A105-V208 HydrophobicContact CB-CB 4.35Å; A105-V208 HydrophobicContact CB-CG2 3.75Å; Q123-V208 HydrophobicContact CG-CG1 4.11Å; L125-V208 HydrophobicContact CD2-CB 4.18Å; L125-V208 HydrophobicContact CD2-CG1 3.9Å; L125-V208 HydrophobicContact CD2-CG2 3.85Å; C186-V208 CarbonylContact C-O 3.56Å; C186-V208 WeakPolarHBondContact CA-O 3.46Å; C186-V208 VanDerWaalsContact CB-O 3.29Å; C186-V208 WeakPolarHBondContact CB-O 3.05Å; A187-V208 PolarHBondContact N-O 3.48Å; A187-V208 PolarHBondContact O-N 3.02Å; Y206-V208 HydrophobicContact CD1-CG2 4.18Å; Y206-V208 HydrophobicContact CD2-CG2 4.44Å; Y206-V208 HydrophobicContact CE1-CG2 3.68Å; Y206-V208 HydrophobicContact CE2-CG2 3.94Å
209	C	98.9	Very high	97.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123	172.4	-77.8	0	0	0	0	109.9	Q123 N124 W142 I184 C186 Y211	Q123-C209 CarbonylContact C-O 3.57Å; Q123-C209 VanDerWaalsContact CA-O 3.25Å; Q123-C209 WeakPolarHBondContact CA-O 3.33Å; N124-C209 PolarHBondContact N-O 3.3Å; N124-C209 PolarHBondContact O-N 2.98Å; W142-C209 HydrophobicContact CH2-CB 3.85Å; W142-C209 VanDerWaalsContact CH2-SG 3.59Å; W142-C209 HydrophobicContact CZ3-CB 4.15Å; I184-C209 HydrophobicContact CD1-CB 4.3Å; I184-C209 HydrophobicContact CG1-CB 4.47Å; C186-C209 HydrophobicContact CB-CB 4.04Å; C186-C209 WeakPolarHBondContact CB-SG 3.48Å; C186-C209 VanDerWaalsContact SG-CA 3.51Å; C186-C209 WeakPolarHBondContact SG-CB 3.04Å; C186-C209 CovalentContact SG-SG 2.03Å; C186-C209 PolarHBondContact SG-SG 3.12Å; C209-Y211 HydrophobicContact CB-CE2 3.99Å; C209-Y211 WeakPolarHBondContact O-CE2 3.25Å
210	N	98.9	Very high	97.4	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.6	175.7	-70.5	-22.9	0	0	0	110.5	L97 T100 A101 G122 Q123 I184 G185	L97-N210 HydrophobicContact CB-CB 4.14Å; L97-N210 HydrophobicContact CD2-CB 4.3Å; L97-N210 PolarHBondContact O-ND2 3.34Å; T100-N210 PolarHBondContact OG1-ND2 2.75Å; T100-N210 VanDerWaalsContact OG1-ND2 3.08Å; A101-N210 PolarHBondContact N-ND2 2.99Å; G122-N210 CarbonylContact O-C 3.5Å; G122-N210 WeakPolarHBondContact O-CA 3.46Å; Q123-N210 WeakPolarHBondContact CG-OD1 3.49Å; Q123-N210 PolarHBondContact NE2-OD1 2.85Å; I184-N210 VanDerWaalsContact CA-O 3.32Å; I184-N210 WeakPolarHBondContact CA-O 3.49Å; G185-N210 PolarHBondContact N-O 3.19Å; G185-N210 PolarHBondContact O-N 2.89Å
211	Y	98.9	Very high	97.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.5	-177.6	-59.3	-97.1	0	0	0	110.6	H74 M91 L121 G122 N124 Q175 K183 I184 C209	H74-Y211 AromaticContact CD2-CE1 3.82Å; H74-Y211 AromaticContact NE2-CE1 3.63Å; H74-Y211 AromaticContact NE2-CZ 3.62Å; H74-Y211 PolarHBondContact NE2-OH 2.67Å; M91-Y211 HydrophobicContact CE-CD1 3.87Å; M91-Y211 HydrophobicContact CE-CE1 4.03Å; M91-Y211 HydrophobicContact SD-CE1 4.41Å; L121-Y211 WeakPolarHBondContact CA-O 3.5Å; G122-Y211 PolarHBondContact N-O 3.25Å; G122-Y211 PolarHBondContact O-N 3.28Å; N124-Y211 HydrophobicContact CB-CE2 3.83Å; N124-Y211 PolarHBondContact ND2-OH 3.49Å; Q175-Y211 HydrophobicContact CG-CD1 4.14Å; Q175-Y211 HydrophobicContact CG-CD2 3.42Å; Q175-Y211 VanDerWaalsContact CG-CD2 3.42Å; Q175-Y211 HydrophobicContact CG-CE1 4.27Å; Q175-Y211 HydrophobicContact CG-CE2 3.6Å; Q175-Y211 HydrophobicContact CG-CG 3.72Å; K183-Y211 WeakPolarHBondContact O-CA 3.4Å; I184-Y211 HydrophobicContact CB-CD1 4.35Å; I184-Y211 HydrophobicContact CB-CE1 4.42Å; I184-Y211 HydrophobicContact CD1-CD1 4.25Å; I184-Y211 HydrophobicContact CD1-CE1 3.52Å; I184-Y211 HydrophobicContact CG1-CD1 4.14Å; I184-Y211 HydrophobicContact CG1-CE1 3.9Å; C209-Y211 HydrophobicContact CB-CE2 3.99Å; C209-Y211 WeakPolarHBondContact O-CE2 3.25Å
212	S	98.3	Very high	97.5	Very high	32 Å²	32	45 Å²	45	22%	0.224	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.8	173.6	-170.8	0	0	0	0	111.3	N182 K183	N182-S212 PolarHBondContact N-O 2.96Å; N182-S212 PolarHBondContact OD1-O 2.97Å; K183-S212 WeakPolarHBondContact CB-O 3.22Å; K183-S212 PolarHBondContact N-O 3.28Å; K183-S212 PolarHBondContact O-N 3.42Å
213	P	97.9	Very high	97.7	Very high	62 Å²	62	37.9 Å²	37.9	40%	0.403	19%	0.188	S	C	.	.	S	Bend	cis	-54.7	159.5	-17.9	-24.3	34.9	0	0	0	113.2	T180 S181 G215	T180-P213 VanDerWaalsContact O-CD 3.25Å; T180-P213 WeakPolarHBondContact O-CD 3.43Å; S181-P213 WeakPolarHBondContact CB-O 3.4Å; S181-P213 PolarHBondContact OG-O 3.1Å; P213-G215 PolarHBondContact O-N 2.92Å
214	K	98.1	Very high	97.9	Very high	52 Å²	52	37 Å²	37	23%	0.226	19%	0.189	C	C	.	.			trans	-55.5	135.5	176	178.3	176.9	-171	83.2	0	111.6	L118 F120 L121 W217	L118-K214 WeakPolarHBondContact O-CE 3.49Å; L118-K214 PolarHBondContact O-NZ 2.87Å; F120-K214 WeakPolarHBondContact O-CB 3.41Å; F120-K214 PolarHBondContact O-N 3.24Å; L121-K214 PolarHBondContact O-NZ 3.35Å; K214-W217 HydrophobicContact CB-CZ2 4.16Å; K214-W217 HydrophobicContact CD-CH2 4.27Å; K214-W217 HydrophobicContact CD-CZ2 4.07Å; K214-W217 HydrophobicContact CG-CZ2 4.29Å; K214-W217 PolarHBondContact O-NE1 3.01Å
215	G	98.3	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.			trans	-102.3	-166	168.2	0	0	0	0	0	113.2	W178 P213 W217	W178-G215 VanDerWaalsContact CD1-CA 3.44Å; W178-G215 VanDerWaalsContact CD2-CA 3.41Å; W178-G215 VanDerWaalsContact CG-CA 3.41Å; P213-G215 PolarHBondContact O-N 2.92Å; G215-W217 VanDerWaalsContact C-N 3.28Å; G215-W217 PolarHBondContact O-N 3.46Å
216	N	98.1	Very high	98.1	Very high	48 Å²	48	40.5 Å²	40.5	26%	0.257	22%	0.215	S	C	.	.			trans	55.6	40	179.6	-64.2	-16.7	0	0	0	113.5	T171 T174 Q175 W178 I218	T171-N216 PolarHBondContact O-ND2 3.49Å; T174-N216 WeakPolarHBondContact CB-OD1 3.32Å; T174-N216 PolarHBondContact OG1-OD1 2.95Å; Q175-N216 PolarHBondContact N-OD1 3.32Å; W178-N216 VanDerWaalsContact CZ3-CA 3.42Å; N216-I218 PolarHBondContact O-N 2.03Å
217	W	97.4	Very high	98.1	Very high	122 Å²	122	45.6 Å²	45.6	46%	0.462	25%	0.246	S	C	.	.			trans	-64.8	130.5	172	-69.4	102.6	0	0	0	110.3	W178 K214 G215 G219 E220	W178-W217 HydrophobicContact CH2-CB 4.27Å; W178-W217 VanDerWaalsContact CH2-N 3.34Å; W178-W217 HydrophobicContact CZ2-CB 4.06Å; W178-W217 AromaticContact CZ2-CD1 3.77Å; W178-W217 HydrophobicContact CZ2-CG 4.34Å; K214-W217 HydrophobicContact CB-CZ2 4.16Å; K214-W217 HydrophobicContact CD-CH2 4.27Å; K214-W217 HydrophobicContact CD-CZ2 4.07Å; K214-W217 HydrophobicContact CG-CZ2 4.29Å; K214-W217 PolarHBondContact O-NE1 3.01Å; G215-W217 VanDerWaalsContact C-N 3.28Å; G215-W217 PolarHBondContact O-N 3.46Å; W217-G219 PolarHBondContact O-N 2.98Å; W217-E220 HydrophobicContact CB-CB 4.03Å; W217-E220 HydrophobicContact CB-CG 3.89Å; W217-E220 PolarHBondContact O-N 2.92Å; W217-E220 VanDerWaalsContact O-N 3.1Å
218	I	96.6	Very high	98.1	Very high	156 Å²	156	47.6 Å²	47.6	80%	0.8	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	123.6	-178.7	-63.4	173.6	0	0	0	108.8	N216	N216-I218 PolarHBondContact O-N 2.03Å
219	G	97.1	Very high	98.1	Very high	20 Å²	20	48.7 Å²	48.7	21%	0.206	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	10	-179.9	0	0	0	0	0	114.6	C161 W217	C161-G219 WeakPolarHBondContact CB-O 3.36Å; C161-G219 PolarHBondContact N-O 2.99Å; C161-G219 WeakPolarHBondContact O-CA 3.32Å; W217-G219 PolarHBondContact O-N 2.98Å
220	E	97.6	Very high	98	Very high	112 Å²	112	52.7 Å²	52.7	52%	0.523	29%	0.294	S	S	.	.			trans	-114.5	147.2	175.6	-64.3	-171.6	-172.3	0	0	111.9	W178 W217	W178-E220 HydrophobicContact CH2-CB 3.84Å; W178-E220 HydrophobicContact CZ2-CB 4.06Å; W217-E220 HydrophobicContact CB-CB 4.03Å; W217-E220 HydrophobicContact CB-CG 3.89Å; W217-E220 PolarHBondContact O-N 2.92Å; W217-E220 VanDerWaalsContact O-N 3.1Å
221	A	97.9	Very high	97.9	Very high	24 Å²	24	54.5 Å²	54.5	20%	0.198	31%	0.309	C	S	.	.			trans	-79.4	149.9	169.9	0	0	0	0	0	110.2	F151 P152 Y223	F151-A221 HydrophobicContact CZ-CB 4.06Å; P152-A221 HydrophobicContact CG-CB 3.89Å; A221-Y223 PolarHBondContact O-N 3.07Å; A221-Y223 VanDerWaalsContact O-N 3.16Å
222	P	98.4	Very high	97.8	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.026	32%	0.318	C	S	.	.	S	Bend	trans	-61.8	-27.2	-178.5	-22.8	33.2	0	0	0	114.4	Y149 T174 V177 W178 A179	Y149-P222 WeakPolarHBondContact OH-CD 3Å; Y149-P222 WeakPolarHBondContact OH-CG 2.8Å; T174-P222 HydrophobicContact CG2-CG 3.76Å; V177-P222 HydrophobicContact CG2-CB 4.03Å; W178-P222 CarbonylContact C-O 3.48Å; W178-P222 WeakPolarHBondContact CA-O 3.42Å; W178-P222 VanDerWaalsContact CE3-CA 3.48Å; W178-P222 HydrophobicContact CE3-CB 3.83Å; W178-P222 HydrophobicContact CE3-CG 4.31Å; W178-P222 HydrophobicContact CZ3-CB 4.14Å; W178-P222 HydrophobicContact CZ3-CG 4.22Å; A179-P222 PolarHBondContact N-O 3.12Å
223	Y	98.7	Very high	97.7	Very high	8 Å²	8	56 Å²	56	3%	0.031	32%	0.319	C	S	.	.	S	Bend	trans	-157	173.2	179.8	53	-99.6	0	0	0	110.7	V81 F82 P83 A85 M88 F151 V177 A221	V81-Y223 HydrophobicContact CB-CE1 4.04Å; V81-Y223 HydrophobicContact CG1-CE1 4.22Å; V81-Y223 HydrophobicContact CG2-CE1 4.04Å; V81-Y223 HydrophobicContact CG2-CE2 4.19Å; F82-Y223 PolarHBondContact O-OH 2.94Å; P83-Y223 HydrophobicContact CG-CE2 4.36Å; P83-Y223 WeakPolarHBondContact O-CE2 3.25Å; P83-Y223 PolarHBondContact O-OH 3.46Å; A85-Y223 HydrophobicContact CB-CD1 4.46Å; A85-Y223 HydrophobicContact CB-CD2 3.4Å; A85-Y223 VanDerWaalsContact CB-CD2 3.4Å; A85-Y223 HydrophobicContact CB-CE2 3.91Å; A85-Y223 HydrophobicContact CB-CG 3.71Å; M88-Y223 HydrophobicContact CE-CD1 3.73Å; M88-Y223 HydrophobicContact CE-CE1 4.37Å; M88-Y223 HydrophobicContact CE-CG 4.03Å; F151-Y223 AromaticContact CD2-CE1 3.97Å; F151-Y223 HydrophobicContact CD2-CE1 3.97Å; F151-Y223 AromaticContact CD2-CE2 3.88Å; F151-Y223 HydrophobicContact CD2-CE2 3.88Å; F151-Y223 AromaticContact CD2-CZ 3.51Å; F151-Y223 AromaticContact CE2-CD1 3.94Å; F151-Y223 HydrophobicContact CE2-CD1 3.94Å; F151-Y223 AromaticContact CE2-CD2 3.59Å; F151-Y223 HydrophobicContact CE2-CD2 3.59Å; F151-Y223 AromaticContact CE2-CE1 3.6Å; F151-Y223 HydrophobicContact CE2-CE1 3.6Å; F151-Y223 AromaticContact CE2-CE2 3.23Å; F151-Y223 HydrophobicContact CE2-CE2 3.23Å; F151-Y223 AromaticContact CE2-CG 3.93Å; F151-Y223 HydrophobicContact CE2-CG 3.93Å; F151-Y223 AromaticContact CE2-CZ 3.24Å; F151-Y223 AromaticContact CZ-CD2 3.81Å; F151-Y223 HydrophobicContact CZ-CD2 3.81Å; F151-Y223 AromaticContact CZ-CE2 3.68Å; F151-Y223 HydrophobicContact CZ-CE2 3.68Å; F151-Y223 HydrophobicContact CZ-CG 4.41Å; F151-Y223 WeakPolarHBondContact CZ-O 2.87Å; V177-Y223 HydrophobicContact CB-CD1 4.42Å; V177-Y223 HydrophobicContact CB-CE1 4.31Å; V177-Y223 HydrophobicContact CG2-CD1 4.33Å; V177-Y223 HydrophobicContact CG2-CE1 4.07Å; V177-Y223 WeakPolarHBondContact O-CD1 3.01Å; A221-Y223 PolarHBondContact O-N 3.07Å; A221-Y223 VanDerWaalsContact O-N 3.16Å
224	K	98.3	Very high	97.4	Very high	131 Å²	131	59.3 Å²	59.3	57%	0.57	34%	0.341	S	S	*	.			trans	-91.4	128.4	174	-65.4	179.9	-178.8	179.4	0	109.7	A85 S86 N87	A85-K224 CarbonylContact C-O 3.51Å; A85-K224 WeakPolarHBondContact CA-O 3.29Å; S86-K224 PolarHBondContact N-O 3.27Å; S86-K224 WeakPolarHBondContact OG-CB 3.47Å; S86-K224 PolarHBondContact OG-O 3.24Å; S86-K224 VanDerWaalsContact OG-O 3.13Å; N87-K224 PolarHBondContact OD1-N 3.38Å
225	V	98.1	Very high	97	Very high	51 Å²	51	61.7 Å²	61.7	31%	0.309	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-67.7	137.8	173.4	-179.4	0	0	0	0	109.8	P83 P84 F151 Y153	P83-V225 HydrophobicContact CB-CG1 3.97Å; P83-V225 HydrophobicContact CB-CG2 4.16Å; P83-V225 HydrophobicContact CG-CG1 4.37Å; P83-V225 HydrophobicContact CG-CG2 3.64Å; P84-V225 WeakPolarHBondContact O-CA 3.25Å; F151-V225 HydrophobicContact CD1-CG2 3.88Å; F151-V225 HydrophobicContact CE1-CG2 3.15Å; F151-V225 HydrophobicContact CZ-CG2 3.63Å; Y153-V225 HydrophobicContact CD1-CG2 4.38Å; Y153-V225 HydrophobicContact CE1-CG2 4.48Å
226	G	97.9	Very high	96.6	Very high	26 Å²	26	62.7 Å²	62.7	27%	0.268	37%	0.368	S	S	.	.	S	Bend	trans	161.3	-175	171.1	0	0	0	0	0	112.8	P84	P84-G226 CarbonylContact C-O 3.54Å; P84-G226 WeakPolarHBondContact CB-O 3.42Å; P84-G226 PolarHBondContact O-N 2.96Å
227	V	98.1	Very high	95.9	Very high	107 Å²	107	63.6 Å²	63.6	65%	0.648	39%	0.388	S	S	*	.	S	Bend	trans	-56.6	129.8	174	178.2	0	0	0	0	109	S86 C229 S230	S86-V227 VanDerWaalsContact CA-O 3.31Å; S86-V227 WeakPolarHBondContact CA-O 3.02Å; S86-V227 WeakPolarHBondContact CB-O 3.46Å; V227-C229 PolarHBondContact O-N 3.36Å; V227-S230 VanDerWaalsContact O-CB 3.3Å; V227-S230 WeakPolarHBondContact O-CB 3.39Å; V227-S230 PolarHBondContact O-N 3.17Å; V227-S230 PolarHBondContact O-OG 3.18Å
228	P	98.4	Very high	95.2	Very high	42 Å²	42	61.1 Å²	61.1	27%	0.273	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	135.4	178.1	-31.5	37	0	0	0	113.1	P84 A85 S230 N243	P84-P228 HydrophobicContact CB-CG 4.21Å; A85-P228 WeakPolarHBondContact O-CA 3.28Å; P228-S230 PolarHBondContact O-N 2.89Å; P228-S230 VanDerWaalsContact O-N 3.12Å; P228-N243 HydrophobicContact CB-CB 3.76Å; P228-N243 HydrophobicContact CG-CB 4.11Å
229	C	97.7	Very high	94.9	Very high	23 Å²	23	55.8 Å²	55.8	16%	0.155	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	3.8	-179.6	-52.8	0	0	0	0	117.1	S86 V227 A231 C232 C240 M244	S86-C229 CarbonylContact O-C 3.46Å; S86-C229 VanDerWaalsContact O-C 3.28Å; S86-C229 VanDerWaalsContact O-CA 3.3Å; S86-C229 WeakPolarHBondContact O-CA 3.3Å; S86-C229 PolarHBondContact O-N 3.47Å; V227-C229 PolarHBondContact O-N 3.36Å; C229-A231 PolarHBondContact O-N 3.38Å; C229-C232 WeakPolarHBondContact CA-SG 3.45Å; C229-C232 PolarHBondContact O-SG 2.02Å; C229-C240 HydrophobicContact CB-CB 3.5Å; C229-C240 VanDerWaalsContact CB-CB 3.5Å; C229-C240 WeakPolarHBondContact CB-SG 3.48Å; C229-C240 WeakPolarHBondContact SG-CB 3.31Å; C229-C240 CovalentContact SG-SG 2.03Å; C229-C240 PolarHBondContact SG-SG 2.8Å; C229-M244 PolarHBondContact SG-O 3.41Å; C229-M244 VanDerWaalsContact SG-O 3.41Å
230	S	97.4	Very high	94.7	Very high	84 Å²	84	58.2 Å²	58.2	59%	0.587	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.4	-179.1	72.6	0	0	0	0	114.6	S86 V227 P228	S86-S230 VanDerWaalsContact CB-OG 3.28Å; S86-S230 WeakPolarHBondContact CB-OG 3.31Å; S86-S230 PolarHBondContact O-N 3.1Å; V227-S230 VanDerWaalsContact O-CB 3.3Å; V227-S230 WeakPolarHBondContact O-CB 3.39Å; V227-S230 PolarHBondContact O-N 3.17Å; V227-S230 PolarHBondContact O-OG 3.18Å; P228-S230 PolarHBondContact O-N 2.89Å; P228-S230 VanDerWaalsContact O-N 3.12Å
231	A	97.4	Very high	94.6	Very high	40 Å²	40	55 Å²	55	33%	0.331	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	31.5	179.5	0	0	0	0	0	112	S86 N87 C229	S86-A231 CarbonylContact O-C 3.55Å; S86-A231 WeakPolarHBondContact O-CA 2.99Å; S86-A231 PolarHBondContact O-N 2.89Å; N87-A231 HydrophobicContact CB-CB 4.15Å; N87-A231 VanDerWaalsContact CB-O 3.32Å; N87-A231 WeakPolarHBondContact CB-O 3.31Å; C229-A231 PolarHBondContact O-N 3.38Å
232	C	97.1	Very high	94.4	Very high	27 Å²	27	59.8 Å²	59.8	18%	0.182	40%	0.402	C	S	.	.			trans	-63.3	141.4	174.5	-72.5	0	0	0	0	112.2	C229 C245	C229-C232 WeakPolarHBondContact CA-SG 3.45Å; C229-C232 PolarHBondContact O-SG 2.02Å; C232-C245 WeakPolarHBondContact CA-SG 2.91Å; C232-C245 HydrophobicContact CB-CB 3.72Å; C232-C245 WeakPolarHBondContact CB-SG 3.07Å; C232-C245 WeakPolarHBondContact SG-CA 2.96Å; C232-C245 WeakPolarHBondContact SG-CB 3.39Å; C232-C245 CovalentContact SG-SG 2.02Å; C232-C245 PolarHBondContact SG-SG 3.08Å
233	P	94.8	Very high	94.4	Very high	38 Å²	38	63.5 Å²	63.5	25%	0.247	42%	0.422	C	S	.	.			trans	-57.9	145	173.1	-23	31.9	0	0	0	111.9	S235 Y236	P233-S235 PolarHBondContact O-N 2.57Å; P233-Y236 HydrophobicContact CB-CD2 3.92Å; P233-Y236 HydrophobicContact CB-CE2 4.22Å; P233-Y236 HydrophobicContact CG-CD2 3.97Å; P233-Y236 HydrophobicContact CG-CE2 3.96Å; P233-Y236 PolarHBondContact O-N 2.82Å
234	P	91.8	Very high	94.4	Very high	131 Å²	131	63.4 Å²	63.4	85%	0.851	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-56.1	-25.6	179.8	-28.1	35.4	0	0	0	114.6	Y236 G237	P234-Y236 PolarHBondContact O-N 3.47Å; P234-Y236 VanDerWaalsContact O-N 3.11Å; P234-G237 PolarHBondContact O-N 2.9Å
235	S	89.8	Confident	94.3	Very high	102 Å²	102	57.1 Å²	57.1	71%	0.713	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-57.6	-22.1	175.8	53.4	0	0	0	0	113.9	P233	P233-S235 PolarHBondContact O-N 2.57Å
236	Y	89.6	Confident	94.1	Very high	21 Å²	21	56.2 Å²	56.2	8%	0.082	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-86.2	-5.1	177.4	-69.2	-82.2	0	0	0	113.7	E89 N182 P233 P234 G238 S239 C245 F246 P247	E89-Y236 HydrophobicContact CB-CE2 4.4Å; E89-Y236 WeakPolarHBondContact CB-OH 3.27Å; E89-Y236 HydrophobicContact CG-CE2 3.75Å; E89-Y236 WeakPolarHBondContact OE2-CE2 3.3Å; E89-Y236 PolarHBondContact OE2-OH 3.36Å; N182-Y236 PolarHBondContact ND2-OH 2.73Å; P233-Y236 HydrophobicContact CB-CD2 3.92Å; P233-Y236 HydrophobicContact CB-CE2 4.22Å; P233-Y236 HydrophobicContact CG-CD2 3.97Å; P233-Y236 HydrophobicContact CG-CE2 3.96Å; P233-Y236 PolarHBondContact O-N 2.82Å; P234-Y236 PolarHBondContact O-N 3.47Å; P234-Y236 VanDerWaalsContact O-N 3.11Å; Y236-G238 PolarHBondContact O-N 2.82Å; Y236-S239 WeakPolarHBondContact O-CB 3.3Å; Y236-S239 PolarHBondContact O-N 2.78Å; Y236-S239 VanDerWaalsContact O-N 3.13Å; Y236-C245 HydrophobicContact CD1-CB 3.97Å; Y236-C245 WeakPolarHBondContact CD1-O 3.43Å; Y236-C245 HydrophobicContact CD2-CB 3.89Å; Y236-C245 HydrophobicContact CE1-CB 4.27Å; Y236-C245 VanDerWaalsContact CE1-O 3.27Å; Y236-C245 WeakPolarHBondContact CE1-O 3.45Å; Y236-C245 HydrophobicContact CE2-CB 4.2Å; Y236-C245 HydrophobicContact CG-CB 3.77Å; Y236-F246 VanDerWaalsContact CD1-C 3.48Å; Y236-P247 HydrophobicContact CD1-CB 4.27Å; Y236-P247 HydrophobicContact CE1-CB 4.3Å
237	G	84.3	Confident	93.3	Very high	66 Å²	66	57 Å²	57	68%	0.68	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	29.8	175.1	0	0	0	0	0	114.3	P234 S239	P234-G237 PolarHBondContact O-N 2.9Å; G237-S239 PolarHBondContact O-N 2.85Å
238	G	82.2	Confident	91.8	Very high	71 Å²	71	53.6 Å²	53.6	73%	0.732	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	6.7	-179	0	0	0	0	0	115.3	Y236	Y236-G238 PolarHBondContact O-N 2.82Å
239	S	89.2	Confident	90	Very high	44 Å²	44	56.8 Å²	56.8	31%	0.308	39%	0.387	S	S	.	.			trans	-74.3	131.8	179.5	-71	0	0	0	0	111.8	Y236 G237 F246	Y236-S239 WeakPolarHBondContact O-CB 3.3Å; Y236-S239 PolarHBondContact O-N 2.78Å; Y236-S239 VanDerWaalsContact O-N 3.13Å; G237-S239 PolarHBondContact O-N 2.85Å; S239-F246 WeakPolarHBondContact CB-O 3.27Å; S239-F246 PolarHBondContact O-N 3.18Å; S239-F246 VanDerWaalsContact O-N 3.17Å
240	C	93.8	Very high	87.9	Confident	70 Å²	70	65.4 Å²	65.4	47%	0.473	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.4	179.1	-173.4	0	0	0	0	109.9	C229 M244	C229-C240 HydrophobicContact CB-CB 3.5Å; C229-C240 VanDerWaalsContact CB-CB 3.5Å; C229-C240 WeakPolarHBondContact CB-SG 3.48Å; C229-C240 WeakPolarHBondContact SG-CB 3.31Å; C229-C240 CovalentContact SG-SG 2.03Å; C229-C240 PolarHBondContact SG-SG 2.8Å; C240-M244 WeakPolarHBondContact CA-O 3.47Å
241	S	94.8	Very high	85.6	Confident	45 Å²	45	65.3 Å²	65.3	32%	0.315	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	131.2	174.3	-177.3	0	0	0	0	109.6	N243 M244	S241-N243 PolarHBondContact O-N 3.13Å; S241-M244 PolarHBondContact N-O 3.28Å; S241-M244 PolarHBondContact O-N 3.18Å
242	N	95.5	Very high	83.3	Confident	124 Å²	124	71.1 Å²	71.1	66%	0.663	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	45.5	-179.7	-63.4	-43.8	0	0	0	113.3	G79 M244	G79-N242 WeakPolarHBondContact CA-O 3.27Å; N242-M244 VanDerWaalsContact C-N 3.26Å; N242-M244 HydrophobicContact CB-CE 3.97Å; N242-M244 PolarHBondContact O-N 3.07Å
243	N	97.9	Very high	80.9	Confident	83 Å²	83	77.7 Å²	77.7	44%	0.444	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	19.7	-178.3	-55.2	-36.6	0	0	0	115.6	G79 P228 S241	G79-N243 PolarHBondContact O-ND2 2.84Å; P228-N243 HydrophobicContact CB-CB 3.76Å; P228-N243 HydrophobicContact CG-CB 4.11Å; S241-N243 PolarHBondContact O-N 3.13Å
244	M	97.8	Very high	78.8	Confident	5 Å²	5	80.8 Å²	80.8	3%	0.025	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.8	179.5	-63.6	173.5	-76.6	0	0	111.9	N75 R78 M88 Y90 C229 C240 S241 N242 F246	N75-M244 HydrophobicContact CB-CE 4.17Å; N75-M244 HydrophobicContact CB-SD 4.36Å; N75-M244 WeakPolarHBondContact O-CE 2.94Å; R78-M244 HydrophobicContact CB-SD 3.76Å; M88-M244 HydrophobicContact CB-CG 4.3Å; M88-M244 HydrophobicContact CG-CG 3.81Å; M88-M244 CarbonylContact O-C 3.54Å; M88-M244 VanDerWaalsContact O-CA 3.24Å; M88-M244 WeakPolarHBondContact O-CA 3.38Å; M88-M244 WeakPolarHBondContact O-CB 3.32Å; Y90-M244 HydrophobicContact CD2-CE 3.95Å; Y90-M244 HydrophobicContact CD2-SD 4.23Å; Y90-M244 HydrophobicContact CE2-CE 4.33Å; C229-M244 PolarHBondContact SG-O 3.41Å; C229-M244 VanDerWaalsContact SG-O 3.41Å; C240-M244 WeakPolarHBondContact CA-O 3.47Å; S241-M244 PolarHBondContact N-O 3.28Å; S241-M244 PolarHBondContact O-N 3.18Å; N242-M244 VanDerWaalsContact C-N 3.26Å; N242-M244 HydrophobicContact CB-CE 3.97Å; N242-M244 PolarHBondContact O-N 3.07Å; M244-F246 PolarHBondContact O-N 3.03Å; M244-F246 VanDerWaalsContact O-N 3.1Å
245	C	97.1	Very high	76.8	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	106.9	169.1	-48.6	0	0	0	0	108.4	M88 Y90 C232 Y236	M88-C245 PolarHBondContact O-N 3.45Å; M88-C245 PolarHBondContact O-SG 3.14Å; Y90-C245 VanDerWaalsContact CB-O 3.31Å; Y90-C245 WeakPolarHBondContact CB-O 3.44Å; Y90-C245 PolarHBondContact N-O 3.31Å; C232-C245 WeakPolarHBondContact CA-SG 2.91Å; C232-C245 HydrophobicContact CB-CB 3.72Å; C232-C245 WeakPolarHBondContact CB-SG 3.07Å; C232-C245 WeakPolarHBondContact SG-CA 2.96Å; C232-C245 WeakPolarHBondContact SG-CB 3.39Å; C232-C245 CovalentContact SG-SG 2.02Å; C232-C245 PolarHBondContact SG-SG 3.08Å; Y236-C245 HydrophobicContact CD1-CB 3.97Å; Y236-C245 WeakPolarHBondContact CD1-O 3.43Å; Y236-C245 HydrophobicContact CD2-CB 3.89Å; Y236-C245 HydrophobicContact CE1-CB 4.27Å; Y236-C245 VanDerWaalsContact CE1-O 3.27Å; Y236-C245 WeakPolarHBondContact CE1-O 3.45Å; Y236-C245 HydrophobicContact CE2-CB 4.2Å; Y236-C245 HydrophobicContact CG-CB 3.77Å
246	F	92.6	Very high	75.2	Confident	31 Å²	31	78.7 Å²	78.7	14%	0.136	44%	0.443	C	S	.	.			trans	-108.8	129.7	-172.4	-165.6	-89.1	0	0	0	108.8	Y90 Y236 S239 M244 G248 I249	Y90-F246 AromaticContact CD1-CD2 4Å; Y90-F246 HydrophobicContact CD1-CD2 4Å; Y90-F246 AromaticContact CD1-CE2 3.74Å; Y90-F246 HydrophobicContact CD1-CE2 3.74Å; Y90-F246 AromaticContact CD2-CD2 3.48Å; Y90-F246 HydrophobicContact CD2-CD2 3.48Å; Y90-F246 VanDerWaalsContact CD2-CD2 3.48Å; Y90-F246 AromaticContact CD2-CE2 3.62Å; Y90-F246 HydrophobicContact CD2-CE2 3.62Å; Y90-F246 HydrophobicContact CE1-CD2 4.44Å; Y90-F246 AromaticContact CE1-CE2 3.76Å; Y90-F246 HydrophobicContact CE1-CE2 3.76Å; Y90-F246 AromaticContact CE2-CD2 3.96Å; Y90-F246 HydrophobicContact CE2-CD2 3.96Å; Y90-F246 AromaticContact CE2-CE2 3.63Å; Y90-F246 HydrophobicContact CE2-CE2 3.63Å; Y90-F246 AromaticContact CG-CD2 3.49Å; Y90-F246 HydrophobicContact CG-CD2 3.49Å; Y90-F246 VanDerWaalsContact CG-CD2 3.49Å; Y90-F246 AromaticContact CG-CE2 3.67Å; Y90-F246 HydrophobicContact CG-CE2 3.67Å; Y90-F246 AromaticContact CZ-CE2 3.7Å; Y236-F246 VanDerWaalsContact CD1-C 3.48Å; S239-F246 WeakPolarHBondContact CB-O 3.27Å; S239-F246 PolarHBondContact O-N 3.18Å; S239-F246 VanDerWaalsContact O-N 3.17Å; M244-F246 PolarHBondContact O-N 3.03Å; M244-F246 VanDerWaalsContact O-N 3.1Å; F246-G248 PolarHBondContact O-N 3.02Å; F246-I249 HydrophobicContact CE1-CD1 4.47Å; F246-I249 HydrophobicContact CE1-CG1 4.01Å
247	P	82.2	Confident	73.3	Confident	44 Å²	44	81.2 Å²	81.2	29%	0.286	46%	0.455	S	S	.	.			trans	-65.8	117.7	179.5	26.2	-29.6	0	0	0	107.4	Y236 I249	Y236-P247 HydrophobicContact CD1-CB 4.27Å; Y236-P247 HydrophobicContact CE1-CB 4.3Å; P247-I249 PolarHBondContact O-N 2.98Å
248	G	66.6	Low	71.2	Confident	34 Å²	34	87.4 Å²	87.4	35%	0.351	46%	0.463	S	S	.	.			trans	-48.3	127.2	177.4	0	0	0	0	0	109.9	F246 K250	F246-G248 PolarHBondContact O-N 3.02Å; G248-K250 PolarHBondContact O-N 3.11Å
249	I	61.1	Low	70.7	Confident	109 Å²	109	88.2 Å²	88.2	56%	0.559	45%	0.449	S	S	*	.			trans	-62.9	100.6	-176	-60.2	178.1	0	0	0	107.9	F246 P247 T251	F246-I249 HydrophobicContact CE1-CD1 4.47Å; F246-I249 HydrophobicContact CE1-CG1 4.01Å; P247-I249 PolarHBondContact O-N 2.98Å; I249-T251 VanDerWaalsContact C-N 3.29Å; I249-T251 WeakPolarHBondContact CG2-O 3.43Å
250	K	52.6	Low	69.7	Low	204 Å²	204	90.5 Å²	90.5	89%	0.887	46%	0.457	S	S	*	.	S	Bend	trans	-78.4	-14.2	176	-69.4	-170	179.4	-177	0	112.7	G248	G248-K250 PolarHBondContact O-N 3.11Å
251	T	50.3	Low	68.4	Low	82 Å²	82	91.7 Å²	91.7	50%	0.503	46%	0.456	S	S	.	.	S	Bend	trans	-149.3	147.4	179.6	60.3	0	0	0	0	110.6	I249 Y253	I249-T251 VanDerWaalsContact C-N 3.29Å; I249-T251 WeakPolarHBondContact CG2-O 3.43Å; T251-Y253 PolarHBondContact O-N 3.16Å
252	N	48.4	Very low	66.8	Low	163 Å²	163	94.4 Å²	94.4	87%	0.872	46%	0.464	S	S	*	.	S	Bend	trans	-64.5	15	174.2	-72.8	-31.5	0	0	0	114.4
253	Y	45.6	Very low	65	Low	164 Å²	164	92.6 Å²	92.6	64%	0.643	45%	0.452	S	S	*	.			trans	-122.3	101	-179	-76	-82.1	0	0	0	110.4	T251 H255	T251-Y253 PolarHBondContact O-N 3.16Å; Y253-H255 PolarHBondContact O-CD2 2.98Å; Y253-H255 VanDerWaalsContact O-CD2 3.31Å; Y253-H255 PolarHBondContact O-N 2.88Å; Y253-H255 VanDerWaalsContact O-N 3.08Å
254	L	51	Low	62.8	Low	104 Å²	104	93.2 Å²	93.2	55%	0.545	45%	0.452	S	S	.	.			trans	-72.9	95.3	164.1	-72.9	167.4	0	0	0	108.1	W256	L254-W256 HydrophobicContact CD2-CZ2 4.1Å; L254-W256 PolarHBondContact O-N 3.32Å
255	H	51.4	Low	60.3	Low	111 Å²	111	99.5 Å²	99.5	51%	0.514	48%	0.483	S	S	.	.			trans	-73.5	24.4	-175.1	-84.4	-82.9	0	0	0	115	Y253 F257	Y253-H255 PolarHBondContact O-CD2 2.98Å; Y253-H255 VanDerWaalsContact O-CD2 3.31Å; Y253-H255 PolarHBondContact O-N 2.88Å; Y253-H255 VanDerWaalsContact O-N 3.08Å; H255-F257 VanDerWaalsContact C-N 3.27Å; H255-F257 PolarHBondContact O-N 3.06Å
256	W	55.3	Low	57.5	Low	78 Å²	78	107.2 Å²	107.2	30%	0.295	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.1	-167.3	-51.9	124	0	0	0	115	V92 L254	V92-W256 HydrophobicContact CB-CD2 4.41Å; V92-W256 HydrophobicContact CB-CE3 3.74Å; V92-W256 HydrophobicContact CB-CH2 3.99Å; V92-W256 HydrophobicContact CB-CZ3 3.5Å; V92-W256 VanDerWaalsContact CB-CZ3 3.5Å; V92-W256 HydrophobicContact CG1-CD2 4.41Å; V92-W256 HydrophobicContact CG1-CE3 3.99Å; V92-W256 HydrophobicContact CG1-CH2 3.37Å; V92-W256 HydrophobicContact CG1-CZ2 3.79Å; V92-W256 HydrophobicContact CG1-CZ3 3.46Å; V92-W256 VanDerWaalsContact CG1-CZ3 3.46Å; V92-W256 HydrophobicContact CG2-CE3 4.39Å; V92-W256 HydrophobicContact CG2-CH2 4.47Å; V92-W256 HydrophobicContact CG2-CZ3 3.85Å; L254-W256 HydrophobicContact CD2-CZ2 4.1Å; L254-W256 PolarHBondContact O-N 3.32Å
257	F	49.5	Very low	54.6	Low	73 Å²	73	113.5 Å²	113.5	32%	0.32	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-140.9	32	-166.8	-55.4	-58.4	0	0	0	116.4	M67 I68 L71 W93 H255	M67-F257 HydrophobicContact CE-CD1 4.07Å; M67-F257 HydrophobicContact CE-CE1 4.26Å; I68-F257 HydrophobicContact CD1-CE2 4.37Å; I68-F257 HydrophobicContact CG1-CE1 4.21Å; I68-F257 HydrophobicContact CG1-CE2 3.81Å; I68-F257 HydrophobicContact CG1-CZ 3.59Å; L71-F257 HydrophobicContact CD2-CZ 4.26Å; W93-F257 HydrophobicContact CB-CE1 4.36Å; H255-F257 VanDerWaalsContact C-N 3.27Å; H255-F257 PolarHBondContact O-N 3.06Å
258	K	40.7	Very low	52.1	Low	196 Å²	196	119.8 Å²	119.8	85%	0.852	58%	0.576	S	S	*	*			trans	-75.1	0	172.4	-76.4	-166.1	179	-175.1	0	112.9	R60	R60-K258 PolarHBondContact NH2-O 2.95Å

Retrieved 258 of 258 residues in 52.1 ms (Link to these results)

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