A0A2K5MK47_CERAT Loading...

Neuroendocrine convertase 2

Serine endopeptidase which is involved in the processing of hormone and other protein precursors at sites comprised of pairs of basic amino acid residues. Responsible for the release of glucagon from proglucagon in pancreatic A cells.

AlphaFold DB , UniProt , Accession A0A2K5MK47, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PCSK2, Length 603 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	27.4	Very low	244 Å²	244	157 Å²	157	100%	1.202	89%	0.885	S	S	*	*				0	133.7	0	-71.8	-173.4	-170.9	0	0	107.1
2	K	25.6	Very low	27.2	Very low	212 Å²	212	151.9 Å²	151.9	92%	0.922	88%	0.878	S	S	*	*			cis	-139.6	154.1	9	-68	172.2	171.1	174.3	0	106.2
3	G	26.1	Very low	27.2	Very low	81 Å²	81	148.6 Å²	148.6	84%	0.835	88%	0.879	S	S	*	*			cis	-149.8	163.4	-4.6	0	0	0	0	0	106.2
4	G	27.2	Very low	27	Very low	82 Å²	82	143.3 Å²	143.3	85%	0.845	87%	0.871	S	S	*	*			cis	122	93.9	31.4	0	0	0	0	0	106.8
5	C	23.9	Very low	27.3	Very low	134 Å²	134	147.5 Å²	147.5	91%	0.905	87%	0.873	S	S	*	*				-173.7	129.2	129.9	-148.5	0	0	0	0	110.5
6	V	29.6	Very low	27.1	Very low	132 Å²	132	147 Å²	147	80%	0.8	86%	0.864	S	S	*	*			trans	-82.3	137.8	169.5	172	0	0	0	0	107.7
7	S	27.2	Very low	27	Very low	94 Å²	94	148.2 Å²	148.2	66%	0.657	86%	0.857	S	S	*	*				163.1	145.5	113.5	70.2	0	0	0	0	115
8	Q	26.1	Very low	26.8	Very low	183 Å²	183	146.2 Å²	146.2	86%	0.855	85%	0.851	S	S	*	*			trans	78.8	106	145	-75.6	176.1	17.5	0	0	120.2
9	W	28.4	Very low	26.8	Very low	252 Å²	252	144.3 Å²	144.3	96%	0.955	84%	0.842	S	S	*	*			trans	-63.6	132.9	146.9	-72.8	63.6	0	0	0	110.3
10	K	24.7	Very low	26.8	Very low	211 Å²	211	144.4 Å²	144.4	92%	0.917	84%	0.836	S	S	*	*			trans	-162.4	140.6	133.7	-106.7	174.7	-171.5	-175.7	0	110.8
11	A	30.2	Very low	26.8	Very low	102 Å²	102	143.4 Å²	143.4	84%	0.843	83%	0.831	S	S	*	*			trans	-57.9	144.6	-172.8	0	0	0	0	0	114.8
12	A	24.7	Very low	26.7	Very low	96 Å²	96	140.7 Å²	140.7	79%	0.793	81%	0.813	S	S	*	*				173.5	138	120.1	0	0	0	0	0	110.4
13	A	27.3	Very low	27	Very low	109 Å²	109	135 Å²	135	90%	0.901	81%	0.806	S	S	*	*			trans	47.2	119.7	149.8	0	0	0	0	0	119.3
14	G	24	Very low	27.5	Very low	74 Å²	74	136.5 Å²	136.5	76%	0.763	80%	0.803	S	S	*	*			trans	149.3	95.6	153	0	0	0	0	0	113.7	L16	G14-L16 PolarHBondContact O-N 3.34Å
15	F	31.4	Very low	27.9	Very low	206 Å²	206	137.4 Å²	137.4	90%	0.904	80%	0.803	S	S	*	*			trans	-31.8	126.9	145.5	-106.1	-95.8	0	0	0	111.7
16	L	24.9	Very low	28.8	Very low	140 Å²	140	139.5 Å²	139.5	73%	0.733	80%	0.8	S	S	*	*				166.5	144.5	123.8	-111.3	77.4	0	0	0	112.9	G14	G14-L16 PolarHBondContact O-N 3.34Å
17	F	25	Very low	29.3	Very low	167 Å²	167	144.1 Å²	144.1	73%	0.732	80%	0.803	S	S	*	*			trans	69.9	98.5	150.2	-88.4	-106.9	0	0	0	119.9	V19	F17-V19 HydrophobicContact CB-CG2 4.39Å; F17-V19 HydrophobicContact CD1-CG2 4.26Å; F17-V19 PolarHBondContact O-N 3.49Å
18	C	24.3	Very low	30	Very low	113 Å²	113	144.1 Å²	144.1	76%	0.764	80%	0.801	S	S	*	*			trans	-66.7	102.5	149.7	-158.7	0	0	0	0	108.5
19	V	25.5	Very low	31	Very low	110 Å²	110	141.5 Å²	141.5	67%	0.667	80%	0.797	S	S	*	*			trans	-99.2	100.4	162.4	178.3	0	0	0	0	106.5	F17 V21	F17-V19 HydrophobicContact CB-CG2 4.39Å; F17-V19 HydrophobicContact CD1-CG2 4.26Å; F17-V19 PolarHBondContact O-N 3.49Å; V19-V21 HydrophobicContact CG1-CG2 4.02Å; V19-V21 PolarHBondContact O-N 3Å
20	M	27.6	Very low	32	Very low	146 Å²	146	138.4 Å²	138.4	72%	0.719	79%	0.79	S	S	*	*			trans	-71.5	107.7	165.9	-69.8	-170	-152.4	0	0	108.2
21	V	27.1	Very low	33.6	Very low	123 Å²	123	131.8 Å²	131.8	75%	0.745	77%	0.768	S	S	*	*			trans	-91.4	109.2	161.2	-179.7	0	0	0	0	106.6	V19 A23	V19-V21 HydrophobicContact CG1-CG2 4.02Å; V19-V21 PolarHBondContact O-N 3Å; V21-A23 PolarHBondContact O-N 2.73Å
22	F	30.6	Very low	35.1	Very low	187 Å²	187	132.7 Å²	132.7	82%	0.82	76%	0.759	S	S	*	*			trans	-63.1	117.7	172.2	-76.9	-89.6	0	0	0	109.4
23	A	31.7	Very low	37.2	Very low	94 Å²	94	135.1 Å²	135.1	78%	0.777	75%	0.753	S	S	*	*			trans	-109.1	141.1	162.3	0	0	0	0	0	108.6	V21	V21-A23 PolarHBondContact O-N 2.73Å
24	S	35.8	Very low	39.2	Very low	111 Å²	111	137.2 Å²	137.2	78%	0.776	74%	0.742	S	S	*	*			trans	-33.6	141.7	-174.8	-170.1	0	0	0	0	116.1	E26	S24-E26 VanDerWaalsContact C-N 3.33Å; S24-E26 PolarHBondContact O-N 2.92Å
25	A	36.9	Very low	41.5	Very low	102 Å²	102	139.4 Å²	139.4	84%	0.843	74%	0.736	S	S	*	*			trans	-66.7	82.7	176	0	0	0	0	0	111.8
26	E	41.1	Very low	43.5	Very low	177 Å²	177	134.3 Å²	134.3	83%	0.827	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-74.6	130.8	157.6	-73.3	-176.9	174.6	0	0	108.7	S24	S24-E26 VanDerWaalsContact C-N 3.33Å; S24-E26 PolarHBondContact O-N 2.92Å
27	R	40.3	Very low	46	Very low	229 Å²	229	137.1 Å²	137.1	86%	0.864	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-53	131.3	178.8	-71.3	178.9	176.9	176.3	-0.3	109.4	V29	R27-V29 PolarHBondContact O-N 3.5Å; R27-V29 VanDerWaalsContact O-N 3.07Å
28	P	41.9	Very low	48.5	Very low	95 Å²	95	132.7 Å²	132.7	62%	0.617	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-62.5	116.5	176.7	22.8	-30.5	0	0	0	109.6	F30	P28-F30 HydrophobicContact CB-CE2 3.9Å; P28-F30 HydrophobicContact CB-CZ 3.92Å; P28-F30 HydrophobicContact CG-CE2 3.73Å; P28-F30 HydrophobicContact CG-CZ 3.9Å; P28-F30 WeakPolarHBondContact O-CD2 3.36Å; P28-F30 PolarHBondContact O-N 3.22Å
29	V	47.8	Very low	51.1	Low	128 Å²	128	133.1 Å²	133.1	78%	0.776	71%	0.705	S	S	*	*			trans	-80.1	103.4	171.6	-178.7	0	0	0	0	107.4	R27 T31	R27-V29 PolarHBondContact O-N 3.5Å; R27-V29 VanDerWaalsContact O-N 3.07Å; V29-T31 HydrophobicContact CG1-CG2 3.86Å; V29-T31 PolarHBondContact O-N 2.98Å
30	F	48.6	Very low	53.3	Low	186 Å²	186	138.3 Å²	138.3	82%	0.816	72%	0.719	S	S	*	*			trans	-79	109.2	173.5	-63.3	-80.6	0	0	0	108.9	P28	P28-F30 HydrophobicContact CB-CE2 3.9Å; P28-F30 HydrophobicContact CB-CZ 3.92Å; P28-F30 HydrophobicContact CG-CE2 3.73Å; P28-F30 HydrophobicContact CG-CZ 3.9Å; P28-F30 WeakPolarHBondContact O-CD2 3.36Å; P28-F30 PolarHBondContact O-N 3.22Å
31	T	59.6	Low	55.5	Low	72 Å²	72	134.5 Å²	134.5	44%	0.442	72%	0.717	S	S	.	*			trans	-111.7	145.7	166.3	97.9	0	0	0	0	109	V29 H33	V29-T31 HydrophobicContact CG1-CG2 3.86Å; V29-T31 PolarHBondContact O-N 2.98Å; T31-H33 VanDerWaalsContact C-N 3.26Å; T31-H33 PolarHBondContact OG1-N 3.25Å; T31-H33 PolarHBondContact OG1-O 3.42Å
32	N	61.9	Low	58	Low	122 Å²	122	128.8 Å²	128.8	65%	0.652	68%	0.683	S	S	*	*	S	Bend	trans	-89.2	12.3	173.4	40.7	-6.5	0	0	0	112.2
33	H	67.1	Low	60.4	Low	147 Å²	147	124.5 Å²	124.5	68%	0.681	67%	0.665	S	S	*	*			trans	-141.6	121.1	-176.4	-66.1	84.6	0	0	0	111.5	T31	T31-H33 VanDerWaalsContact C-N 3.26Å; T31-H33 PolarHBondContact OG1-N 3.25Å; T31-H33 PolarHBondContact OG1-O 3.42Å
34	F	69.6	Low	62.7	Low	152 Å²	152	125.8 Å²	125.8	67%	0.667	66%	0.659	S	S	*	*			trans	-102.2	135.1	173.9	-62.7	-82.2	0	0	0	110.6	F55	F34-F55 HydrophobicContact CD2-CE1 4.39Å; F34-F55 HydrophobicContact CD2-CE2 4.42Å; F34-F55 HydrophobicContact CD2-CZ 4.15Å; F34-F55 HydrophobicContact CE2-CE1 4.33Å; F34-F55 HydrophobicContact CE2-CE2 4.2Å; F34-F55 AromaticContact CE2-CZ 3.77Å; F34-F55 HydrophobicContact CE2-CZ 3.77Å
35	L	73.4	Confident	64.8	Low	120 Å²	120	125.9 Å²	125.9	63%	0.628	65%	0.647	S	S	*	*			trans	-103.6	120.8	167.5	-171.1	74.8	0	0	0	108.1	V60 A63	L35-V60 HydrophobicContact CD1-CB 4.05Å; L35-V60 HydrophobicContact CD1-CG1 4.32Å; L35-V60 HydrophobicContact CD1-CG2 4.02Å; L35-A63 HydrophobicContact CD1-CB 4.49Å; L35-A63 HydrophobicContact CD2-CB 3.35Å
36	V	73.1	Confident	66.9	Low	99 Å²	99	121.9 Å²	121.9	60%	0.6	61%	0.614	S	S	*	*			trans	-121.2	134.2	179	-66.2	0	0	0	0	109.5	L38	V36-L38 HydrophobicContact CG2-CD2 3.83Å
37	E	77.1	Confident	68.8	Low	199 Å²	199	120.6 Å²	120.6	93%	0.93	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-83.4	119.3	171.3	-172.6	174.1	-168.1	0	0	108.7
38	L	77.6	Confident	70.7	Confident	75 Å²	75	115.4 Å²	115.4	39%	0.393	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-91.4	136.3	-178.1	-57.9	-178.1	0	0	0	110.5	V36 E43 A46	V36-L38 HydrophobicContact CG2-CD2 3.83Å; L38-E43 HydrophobicContact CD1-CG 4.36Å; L38-A46 HydrophobicContact CD1-CB 3.67Å; L38-A46 HydrophobicContact CD2-CB 3.6Å; L38-A46 HydrophobicContact CG-CB 4.3Å
39	H	77.8	Confident	72.5	Confident	122 Å²	122	114.3 Å²	114.3	57%	0.565	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-67.9	157.2	164.9	64	-88.3	0	0	0	110	G41 G42 E45	H39-G41 PolarHBondContact O-N 3.5Å; H39-G41 VanDerWaalsContact O-N 3.1Å; H39-G42 PolarHBondContact O-N 3.31Å; H39-E45 IonicContact CE1-OE2 2.61Å; H39-E45 PolarHBondContact CE1-OE2 2.96Å
40	K	72.2	Confident	74	Confident	219 Å²	219	108.9 Å²	108.9	95%	0.952	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	116.7	-177.4	-166.5	177.9	-177.2	-179	0	110.3
41	G	74.9	Confident	75.6	Confident	66 Å²	66	103.6 Å²	103.6	68%	0.68	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.5	-7.1	-177.1	0	0	0	0	0	115.3	H39 E43	H39-G41 PolarHBondContact O-N 3.5Å; H39-G41 VanDerWaalsContact O-N 3.1Å; G41-E43 PolarHBondContact O-N 3.13Å
42	G	79	Confident	76.8	Confident	3 Å²	3	106.1 Å²	106.1	3%	0.031	54%	0.544	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	15.3	-179.1	0	0	0	0	0	115.7	H39 A46	H39-G42 PolarHBondContact O-N 3.31Å; G42-A46 WeakPolarHBondContact O-CB 3.28Å; G42-A46 PolarHBondContact O-N 2.88Å; G42-A46 VanDerWaalsContact O-N 3.08Å
43	E	80.4	Confident	77.6	Confident	97 Å²	97	106.2 Å²	106.2	45%	0.453	54%	0.541	S	S	.	.	H	α-helix	trans	-68.6	-35.1	-177	-66.8	-170.1	165.8	0	0	112.1	L38 G41 R47 K59	L38-E43 HydrophobicContact CD1-CG 4.36Å; G41-E43 PolarHBondContact O-N 3.13Å; E43-R47 WeakPolarHBondContact O-CG 3.43Å; E43-R47 PolarHBondContact O-N 3.22Å; E43-K59 IonicContact OE1-NZ 3.62Å; E43-K59 PolarHBondContact OE1-NZ 3.05Å; E43-K59 VanDerWaalsContact OE1-NZ 3.07Å
44	D	80.3	Confident	78.2	Confident	120 Å²	120	102.7 Å²	102.7	64%	0.642	54%	0.544	S	S	*	.	H	α-helix	trans	-75.7	-38.9	179.3	-67.7	-33.3	0	0	0	112.1	R47 Q48	D44-R47 PolarHBondContact O-N 2.78Å; D44-Q48 PolarHBondContact O-N 2.87Å
45	E	81	Confident	78.6	Confident	114 Å²	114	99.7 Å²	99.7	53%	0.533	53%	0.531	S	S	.	.	H	α-helix	trans	-63.3	-43.5	174.4	-171.5	178.4	-166.2	0	0	111	H39 R47 Q48 V49	H39-E45 IonicContact CE1-OE2 2.61Å; H39-E45 PolarHBondContact CE1-OE2 2.96Å; E45-R47 VanDerWaalsContact C-N 3.3Å; E45-R47 PolarHBondContact O-N 3.41Å; E45-Q48 PolarHBondContact O-N 3.12Å; E45-V49 WeakPolarHBondContact O-CG2 3.34Å; E45-V49 PolarHBondContact O-N 3.47Å
46	A	79.4	Confident	78.9	Confident	17 Å²	17	97.6 Å²	97.6	14%	0.14	54%	0.538	C	S	.	.	H	α-helix	trans	-61.8	-37.5	175.6	0	0	0	0	0	112.6	L38 G42 A50	L38-A46 HydrophobicContact CD1-CB 3.67Å; L38-A46 HydrophobicContact CD2-CB 3.6Å; L38-A46 HydrophobicContact CG-CB 4.3Å; G42-A46 WeakPolarHBondContact O-CB 3.28Å; G42-A46 PolarHBondContact O-N 2.88Å; G42-A46 VanDerWaalsContact O-N 3.08Å; A46-A50 WeakPolarHBondContact O-CB 3.44Å; A46-A50 PolarHBondContact O-N 3.42Å
47	R	81.1	Confident	79.1	Confident	151 Å²	151	96.3 Å²	96.3	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-67.3	-40.7	174.9	-76.6	177.3	-175.1	-173.6	5.5	112.3	E43 D44 E45 A51 V57	E43-R47 WeakPolarHBondContact O-CG 3.43Å; E43-R47 PolarHBondContact O-N 3.22Å; D44-R47 PolarHBondContact O-N 2.78Å; E45-R47 VanDerWaalsContact C-N 3.3Å; E45-R47 PolarHBondContact O-N 3.41Å; R47-A51 VanDerWaalsContact O-CB 3.32Å; R47-A51 WeakPolarHBondContact O-CB 3.43Å; R47-A51 PolarHBondContact O-N 3.28Å; R47-V57 HydrophobicContact CB-CG2 4.38Å; R47-V57 HydrophobicContact CG-CB 4.09Å; R47-V57 HydrophobicContact CG-CG1 4.37Å; R47-V57 HydrophobicContact CG-CG2 3.92Å
48	Q	81.1	Confident	79.2	Confident	119 Å²	119	97.5 Å²	97.5	56%	0.556	53%	0.526	S	S	*	.	H	α-helix	trans	-63.7	-51.7	177.3	-175.9	179.9	-12	0	0	111.1	D44 E45 A50 A51 E52	D44-Q48 PolarHBondContact O-N 2.87Å; E45-Q48 PolarHBondContact O-N 3.12Å; Q48-A50 VanDerWaalsContact C-N 3.33Å; Q48-A50 PolarHBondContact O-N 3.19Å; Q48-A51 PolarHBondContact O-N 3.45Å; Q48-A51 VanDerWaalsContact O-N 3.17Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.34Å; Q48-E52 PolarHBondContact NE2-OE1 3.32Å; Q48-E52 WeakPolarHBondContact O-CG 3.49Å; Q48-E52 PolarHBondContact O-N 3.48Å
49	V	79.7	Confident	79.2	Confident	72 Å²	72	102.3 Å²	102.3	44%	0.436	54%	0.544	S	S	.	.	H	α-helix	trans	-62	-41.5	-179.7	174.2	0	0	0	0	111.4	E45 E52 H53	E45-V49 WeakPolarHBondContact O-CG2 3.34Å; E45-V49 PolarHBondContact O-N 3.47Å; V49-E52 PolarHBondContact O-N 3.32Å; V49-H53 PolarHBondContact O-N 3.06Å; V49-H53 PolarHBondContact O-ND1 3.42Å
50	A	79.8	Confident	79.1	Confident	15 Å²	15	100.5 Å²	100.5	12%	0.124	54%	0.541	C	S	.	.	H	α-helix	trans	-62.2	-44.3	175.9	0	0	0	0	0	111.4	A46 Q48 H53 G54 F55 V57	A46-A50 WeakPolarHBondContact O-CB 3.44Å; A46-A50 PolarHBondContact O-N 3.42Å; Q48-A50 VanDerWaalsContact C-N 3.33Å; Q48-A50 PolarHBondContact O-N 3.19Å; A50-H53 CarbonylContact O-C 3.48Å; A50-H53 PolarHBondContact O-N 2.95Å; A50-G54 PolarHBondContact O-N 2.78Å; A50-F55 CarbonylContact C-O 3Å; A50-F55 VanDerWaalsContact C-O 3.29Å; A50-F55 HydrophobicContact CB-CB 4.1Å; A50-F55 WeakPolarHBondContact CB-O 3.48Å; A50-F55 PolarHBondContact O-N 3.03Å; A50-V57 HydrophobicContact CB-CG2 3.38Å
51	A	81.8	Confident	79.3	Confident	74 Å²	74	100.3 Å²	100.3	61%	0.612	54%	0.54	S	S	*	.	H	α-helix	trans	-63.7	-41.9	177.1	0	0	0	0	0	112.6	R47 Q48 H53 G54	R47-A51 VanDerWaalsContact O-CB 3.32Å; R47-A51 WeakPolarHBondContact O-CB 3.43Å; R47-A51 PolarHBondContact O-N 3.28Å; Q48-A51 PolarHBondContact O-N 3.45Å; Q48-A51 VanDerWaalsContact O-N 3.17Å; A51-H53 PolarHBondContact O-N 2.85Å; A51-G54 PolarHBondContact O-N 3.1Å
52	E	83.4	Confident	79.3	Confident	125 Å²	125	104.5 Å²	104.5	58%	0.584	54%	0.544	S	S	*	.	H	α-helix	trans	-58.4	-29.6	176.3	-75.5	172.7	-172.4	0	0	112.6	Q48 V49	Q48-E52 WeakPolarHBondContact CG-OE1 3.34Å; Q48-E52 PolarHBondContact NE2-OE1 3.32Å; Q48-E52 WeakPolarHBondContact O-CG 3.49Å; Q48-E52 PolarHBondContact O-N 3.48Å; V49-E52 PolarHBondContact O-N 3.32Å
53	H	79.3	Confident	78.9	Confident	124 Å²	124	107.3 Å²	107.3	57%	0.574	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	12.7	-177.7	-63.6	76.2	0	0	0	113.3	V49 A50 A51 F55	V49-H53 PolarHBondContact O-N 3.06Å; V49-H53 PolarHBondContact O-ND1 3.42Å; A50-H53 CarbonylContact O-C 3.48Å; A50-H53 PolarHBondContact O-N 2.95Å; A51-H53 PolarHBondContact O-N 2.85Å; H53-F55 VanDerWaalsContact C-N 3.34Å; H53-F55 HydrophobicContact CB-CD2 3.76Å; H53-F55 HydrophobicContact CB-CE2 3.96Å; H53-F55 VanDerWaalsContact O-CD2 3.28Å; H53-F55 WeakPolarHBondContact O-CD2 3.46Å; H53-F55 WeakPolarHBondContact O-CE2 3.4Å; H53-F55 PolarHBondContact O-N 3.17Å
54	G	79.4	Confident	78.6	Confident	73 Å²	73	109.5 Å²	109.5	75%	0.753	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.7	17.6	175.4	0	0	0	0	0	115.6	A50 A51	A50-G54 PolarHBondContact O-N 2.78Å; A51-G54 PolarHBondContact O-N 3.1Å
55	F	79.3	Confident	78.2	Confident	90 Å²	90	112.5 Å²	112.5	40%	0.395	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-98.2	147.4	177.1	-64.9	-77.3	0	0	0	112.3	F34 A50 H53	F34-F55 HydrophobicContact CD2-CE1 4.39Å; F34-F55 HydrophobicContact CD2-CE2 4.42Å; F34-F55 HydrophobicContact CD2-CZ 4.15Å; F34-F55 HydrophobicContact CE2-CE1 4.33Å; F34-F55 HydrophobicContact CE2-CE2 4.2Å; F34-F55 AromaticContact CE2-CZ 3.77Å; F34-F55 HydrophobicContact CE2-CZ 3.77Å; A50-F55 CarbonylContact C-O 3Å; A50-F55 VanDerWaalsContact C-O 3.29Å; A50-F55 HydrophobicContact CB-CB 4.1Å; A50-F55 WeakPolarHBondContact CB-O 3.48Å; A50-F55 PolarHBondContact O-N 3.03Å; H53-F55 VanDerWaalsContact C-N 3.34Å; H53-F55 HydrophobicContact CB-CD2 3.76Å; H53-F55 HydrophobicContact CB-CE2 3.96Å; H53-F55 VanDerWaalsContact O-CD2 3.28Å; H53-F55 WeakPolarHBondContact O-CD2 3.46Å; H53-F55 WeakPolarHBondContact O-CE2 3.4Å; H53-F55 PolarHBondContact O-N 3.17Å
56	G	78.5	Confident	77.4	Confident	76 Å²	76	115.4 Å²	115.4	78%	0.784	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-92.3	142	169.6	0	0	0	0	0	111.9
57	V	77.1	Confident	76.8	Confident	71 Å²	71	122.2 Å²	122.2	43%	0.43	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-92.8	129.1	175.7	-176.8	0	0	0	0	110.9	R47 A50	R47-V57 HydrophobicContact CB-CG2 4.38Å; R47-V57 HydrophobicContact CG-CB 4.09Å; R47-V57 HydrophobicContact CG-CG1 4.37Å; R47-V57 HydrophobicContact CG-CG2 3.92Å; A50-V57 HydrophobicContact CB-CG2 3.38Å
58	R	79.4	Confident	75.6	Confident	225 Å²	225	118.8 Å²	118.8	85%	0.849	65%	0.646	S	S	*	*			trans	-132.2	138.2	170	-67.3	-176.8	179.6	-178.5	0.8	109.7	V60	R58-V60 PolarHBondContact O-N 2.89Å
59	K	78.9	Confident	74.8	Confident	176 Å²	176	121.6 Å²	121.6	77%	0.765	66%	0.656	S	S	*	*			trans	-76.3	113.5	175.7	-166.5	164.7	-169.2	150.9	0	109.5	E43	E43-K59 IonicContact OE1-NZ 3.62Å; E43-K59 PolarHBondContact OE1-NZ 3.05Å; E43-K59 VanDerWaalsContact OE1-NZ 3.07Å
60	V	74.7	Confident	73.7	Confident	83 Å²	83	126.4 Å²	126.4	50%	0.503	68%	0.679	S	S	.	*			trans	-90.1	126.6	178.1	-177.3	0	0	0	0	108.6	L35 R58 M62 A63	L35-V60 HydrophobicContact CD1-CB 4.05Å; L35-V60 HydrophobicContact CD1-CG1 4.32Å; L35-V60 HydrophobicContact CD1-CG2 4.02Å; R58-V60 PolarHBondContact O-N 2.89Å; V60-M62 WeakPolarHBondContact CG1-O 3.34Å; V60-A63 HydrophobicContact CG1-CB 4.48Å
61	K	77	Confident	72.2	Confident	215 Å²	215	136.6 Å²	136.6	94%	0.935	72%	0.715	S	S	*	*	S	Bend	trans	-82.9	-28.4	179.7	-70.1	-174.3	179.1	-179.6	0	113.2
62	M	74.6	Confident	70.9	Confident	155 Å²	155	138.1 Å²	138.1	76%	0.764	71%	0.708	S	S	*	*			trans	-153.6	136.2	-178.6	-176	-174.4	77.5	0	0	108.3	V60	V60-M62 WeakPolarHBondContact CG1-O 3.34Å
63	A	71.4	Confident	69.3	Low	62 Å²	62	139.5 Å²	139.5	51%	0.512	71%	0.712	S	S	.	*			trans	-125.5	134.9	168.4	0	0	0	0	0	108.3	L35 V60	L35-A63 HydrophobicContact CD1-CB 4.49Å; L35-A63 HydrophobicContact CD2-CB 3.35Å; V60-A63 HydrophobicContact CG1-CB 4.48Å
64	L	73.2	Confident	67.6	Low	143 Å²	143	145.3 Å²	145.3	75%	0.749	73%	0.729	S	S	*	*			trans	-116	124.3	173.3	-166.3	84.3	0	0	0	106.8	Q66	L64-Q66 PolarHBondContact O-N 2.04Å
65	Q	71.9	Confident	66.3	Low	182 Å²	182	145.8 Å²	145.8	85%	0.85	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-67.3	120.9	170.7	-175.5	171.6	3.2	0	0	108
66	Q	64.4	Low	65.3	Low	175 Å²	175	148.2 Å²	148.2	82%	0.818	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-88.9	126.6	169	-65.5	-169	-36	0	0	107.7	L64	L64-Q66 PolarHBondContact O-N 2.04Å
67	E	67.2	Low	64.6	Low	161 Å²	161	147.6 Å²	147.6	75%	0.752	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-70.9	129.8	166.4	-68.7	-177.8	172.5	0	0	108	F69	E67-F69 PolarHBondContact O-N 3.3Å
68	G	56.3	Low	64	Low	79 Å²	79	146.3 Å²	146.3	81%	0.814	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-63.4	135	172.7	0	0	0	0	0	109.2
69	F	62.7	Low	63.3	Low	177 Å²	177	137.5 Å²	137.5	78%	0.776	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-94.4	129.1	169.9	-62.1	-83.7	0	0	0	108.9	E67 R71	E67-F69 PolarHBondContact O-N 3.3Å; F69-R71 PolarHBondContact O-N 2.97Å
70	D	56.9	Low	62.6	Low	173 Å²	173	135.9 Å²	135.9	93%	0.925	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-65.4	123.5	167.6	-74.6	-40.2	0	0	0	109.5
71	R	49.7	Very low	62	Low	229 Å²	229	137.5 Å²	137.5	86%	0.864	68%	0.677	S	S	*	*			trans	-114	109.4	173.3	-67.3	-175.2	179	-172.7	0.3	108.3	F69	F69-R71 PolarHBondContact O-N 2.97Å
72	K	52.5	Low	61.5	Low	106 Å²	106	129 Å²	129	46%	0.461	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-78.5	129.4	167.5	-157.1	170.5	-176.7	176.4	0	107.8	R74 Y76 E81	K72-R74 PolarHBondContact O-N 3.05Å; K72-Y76 HydrophobicContact CD-CD1 4.22Å; K72-Y76 VanDerWaalsContact CE-O 3.32Å; K72-Y76 WeakPolarHBondContact CE-O 3.38Å; K72-Y76 HydrophobicContact CG-CD1 3.72Å; K72-Y76 HydrophobicContact CG-CG 4.5Å; K72-E81 IonicContact NZ-OE1 3.07Å; K72-E81 PolarHBondContact NZ-OE1 2.9Å; K72-E81 IonicContact NZ-OE2 2.69Å; K72-E81 PolarHBondContact NZ-OE2 2.81Å
73	K	50.5	Low	61.2	Low	154 Å²	154	128.8 Å²	128.8	67%	0.67	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-59.8	133.3	175.9	-177.8	-178.4	179.3	-175.7	0	108.1	G75 Y76	K73-G75 PolarHBondContact O-N 2.75Å; K73-Y76 VanDerWaalsContact O-CB 3.24Å; K73-Y76 WeakPolarHBondContact O-CB 3.45Å; K73-Y76 PolarHBondContact O-N 3.39Å
74	R	44.5	Very low	61.4	Low	247 Å²	247	127.3 Å²	127.3	93%	0.932	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	124.4	176.5	-169.5	-179.1	-70.9	-179.4	-2.1	108.5	K72	K72-R74 PolarHBondContact O-N 3.05Å
75	G	52.1	Low	61.7	Low	83 Å²	83	127.1 Å²	127.1	86%	0.856	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	85.8	1.8	-174.5	0	0	0	0	0	115.6	K73 R77	K73-G75 PolarHBondContact O-N 2.75Å; G75-R77 PolarHBondContact O-N 2.87Å
76	Y	58.1	Low	62.6	Low	140 Å²	140	119.4 Å²	119.4	55%	0.549	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-76.6	116.6	168.6	179.5	-103.7	0	0	0	109.7	K72 K73	K72-Y76 HydrophobicContact CD-CD1 4.22Å; K72-Y76 VanDerWaalsContact CE-O 3.32Å; K72-Y76 WeakPolarHBondContact CE-O 3.38Å; K72-Y76 HydrophobicContact CG-CD1 3.72Å; K72-Y76 HydrophobicContact CG-CG 4.5Å; K73-Y76 VanDerWaalsContact O-CB 3.24Å; K73-Y76 WeakPolarHBondContact O-CB 3.45Å; K73-Y76 PolarHBondContact O-N 3.39Å
77	R	62.7	Low	64	Low	64 Å²	64	114.4 Å²	114.4	24%	0.242	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-96.4	125.5	174.1	-165.4	174.4	-175.7	-169.7	-1.8	108.3	G75 E115 E118	G75-R77 PolarHBondContact O-N 2.87Å; R77-E115 VanDerWaalsContact NH1-N 3.13Å; R77-E118 IonicContact CZ-OE1 3.99Å; R77-E118 IonicContact CZ-OE2 2.83Å; R77-E118 IonicContact NH1-OE2 2.94Å; R77-E118 IonicContact NH2-OE1 3.38Å; R77-E118 PolarHBondContact NH2-OE1 3.36Å; R77-E118 IonicContact NH2-OE2 2.71Å; R77-E118 PolarHBondContact NH2-OE2 2.89Å
78	D	64.9	Low	65.5	Low	44 Å²	44	107 Å²	107	24%	0.235	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-78.4	125.9	171.6	-169.3	-27.3	0	0	0	107.2	N80 E81	D78-N80 PolarHBondContact O-N 3.33Å; D78-N80 WeakPolarHBondContact OD1-CB 3.44Å; D78-N80 PolarHBondContact OD1-N 2.91Å; D78-N80 PolarHBondContact OD1-ND2 3.24Å; D78-E81 HydrophobicContact CB-CB 4.24Å; D78-E81 HydrophobicContact CB-CG 3.84Å; D78-E81 WeakPolarHBondContact O-CB 3.32Å; D78-E81 PolarHBondContact O-N 2.75Å
79	I	64.9	Low	67.4	Low	40 Å²	40	107 Å²	107	21%	0.205	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-64.2	-23.5	-178.5	-157.5	154.7	0	0	0	112	E81 I82 N99 T100 P107	I79-E81 PolarHBondContact O-N 2.8Å; I79-I82 HydrophobicContact CG1-CD1 4.01Å; I79-I82 PolarHBondContact O-N 3.29Å; I79-N99 WeakPolarHBondContact CD1-O 3.37Å; I79-T100 HydrophobicContact CG1-CG2 4.45Å; I79-P107 HydrophobicContact CD1-CB 4.37Å
80	N	63.3	Low	69	Low	141 Å²	141	99.9 Å²	99.9	75%	0.754	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-76.1	-9.8	175	-54.3	-64.4	0	0	0	113.1	D78	D78-N80 PolarHBondContact O-N 3.33Å; D78-N80 WeakPolarHBondContact OD1-CB 3.44Å; D78-N80 PolarHBondContact OD1-N 2.91Å; D78-N80 PolarHBondContact OD1-ND2 3.24Å
81	E	63.8	Low	70.8	Confident	118 Å²	118	92.5 Å²	92.5	55%	0.551	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-98.1	1	176.9	-67.8	171	-179	0	0	112.5	K72 D78 I79 D83	K72-E81 IonicContact NZ-OE1 3.07Å; K72-E81 PolarHBondContact NZ-OE1 2.9Å; K72-E81 IonicContact NZ-OE2 2.69Å; K72-E81 PolarHBondContact NZ-OE2 2.81Å; D78-E81 HydrophobicContact CB-CB 4.24Å; D78-E81 HydrophobicContact CB-CG 3.84Å; D78-E81 WeakPolarHBondContact O-CB 3.32Å; D78-E81 PolarHBondContact O-N 2.75Å; I79-E81 PolarHBondContact O-N 2.8Å; E81-D83 PolarHBondContact O-N 3.07Å
82	I	65.9	Low	72.9	Confident	37 Å²	37	86.1 Å²	86.1	19%	0.19	44%	0.437	C	S	.	.			trans	-76.7	103.2	175.7	-56.1	-176.6	0	0	0	109.1	I79 I84 I98 A114	I79-I82 HydrophobicContact CG1-CD1 4.01Å; I79-I82 PolarHBondContact O-N 3.29Å; I82-I84 HydrophobicContact CG2-CB 4.23Å; I82-I84 HydrophobicContact CG2-CD1 4.08Å; I82-I84 HydrophobicContact CG2-CG1 4.26Å; I82-I84 PolarHBondContact O-N 2.89Å; I82-I98 HydrophobicContact CD1-CG2 4.44Å; I82-I98 HydrophobicContact CG2-CD1 4.22Å; I82-A114 HydrophobicContact CD1-CB 4.46Å; I82-A114 HydrophobicContact CG2-CB 4.02Å
83	D	67.4	Low	74.9	Confident	149 Å²	149	83.7 Å²	83.7	80%	0.797	43%	0.426	S	S	*	.			trans	-95.4	58.4	176.9	-166.6	20.3	0	0	0	111.2	E81	E81-D83 PolarHBondContact O-N 3.07Å
84	I	77.1	Confident	77.1	Confident	31 Å²	31	76.5 Å²	76.5	16%	0.159	40%	0.395	C	S	.	.			trans	-108.3	104.9	169.5	-68.5	163	0	0	0	107.5	I82 M86 F91 I98 A114 W117 E118	I82-I84 HydrophobicContact CG2-CB 4.23Å; I82-I84 HydrophobicContact CG2-CD1 4.08Å; I82-I84 HydrophobicContact CG2-CG1 4.26Å; I82-I84 PolarHBondContact O-N 2.89Å; I84-M86 HydrophobicContact CG2-CE 4.03Å; I84-M86 HydrophobicContact CG2-CG 4.21Å; I84-F91 HydrophobicContact CG2-CE1 4.29Å; I84-F91 HydrophobicContact CG2-CZ 3.88Å; I84-I98 HydrophobicContact CB-CD1 4.29Å; I84-I98 HydrophobicContact CG2-CD1 4.43Å; I84-A114 HydrophobicContact CD1-CB 3.42Å; I84-A114 VanDerWaalsContact CD1-CB 3.42Å; I84-A114 WeakPolarHBondContact CD1-O 3.35Å; I84-W117 HydrophobicContact CD1-CE3 4.06Å; I84-W117 HydrophobicContact CG2-CE3 4.02Å; I84-W117 HydrophobicContact CG2-CZ3 4.08Å; I84-E118 HydrophobicContact CD1-CG 4.37Å
85	N	79.1	Confident	79.4	Confident	140 Å²	140	64.8 Å²	64.8	75%	0.749	35%	0.351	S	S	*	.			trans	-116.1	104.3	177.7	-170.4	19.4	0	0	0	109.2
86	M	91.3	Very high	81.5	Confident	19 Å²	19	60.8 Å²	60.8	9%	0.094	31%	0.31	C	S	.	.			trans	-95.6	140	172.2	-56.4	-64.2	-166.4	0	0	108.8	I84 D88 F91 W117 A185 N186 V192 Y196	I84-M86 HydrophobicContact CG2-CE 4.03Å; I84-M86 HydrophobicContact CG2-CG 4.21Å; M86-D88 WeakPolarHBondContact CB-OD2 3.32Å; M86-D88 PolarHBondContact O-N 2.88Å; M86-F91 HydrophobicContact CB-CB 4.28Å; M86-F91 HydrophobicContact CB-CD1 3.75Å; M86-F91 HydrophobicContact CB-CD2 4.14Å; M86-F91 HydrophobicContact CB-CE1 4.06Å; M86-F91 HydrophobicContact CB-CE2 4.44Å; M86-F91 HydrophobicContact CB-CG 3.79Å; M86-F91 HydrophobicContact CB-CZ 4.39Å; M86-F91 HydrophobicContact CG-CD1 4.11Å; M86-F91 HydrophobicContact CG-CD2 4.11Å; M86-F91 HydrophobicContact CG-CE1 3.93Å; M86-F91 HydrophobicContact CG-CE2 3.94Å; M86-F91 HydrophobicContact CG-CG 4.2Å; M86-F91 HydrophobicContact CG-CZ 3.84Å; M86-W117 HydrophobicContact CE-CE3 4.19Å; M86-W117 HydrophobicContact CE-CZ3 4.2Å; M86-A185 HydrophobicContact CE-CB 4.35Å; M86-A185 HydrophobicContact SD-CB 4.23Å; M86-N186 WeakPolarHBondContact CA-OD1 3.3Å; M86-N186 PolarHBondContact SD-ND2 2.93Å; M86-V192 HydrophobicContact CB-CG2 4.02Å; M86-V192 HydrophobicContact CG-CG2 4.08Å; M86-Y196 HydrophobicContact CE-CE1 3.99Å
87	N	93.9	Very high	83.3	Confident	70 Å²	70	54.1 Å²	54.1	37%	0.374	28%	0.284	S	S	.	.			trans	-77.6	-1.8	-177.4	69.9	21.8	0	0	0	113.8	N186 N187 N188	N87-N186 PolarHBondContact N-OD1 2.71Å; N87-N186 PolarHBondContact ND2-O 3.44Å; N87-N186 WeakPolarHBondContact OD1-CA 3.38Å; N87-N187 PolarHBondContact OD1-N 3.29Å; N87-N188 WeakPolarHBondContact CB-OD1 3.39Å; N87-N188 PolarHBondContact O-OD1 3.08Å; N87-N188 PolarHBondContact OD1-N 2.68Å; N87-N188 PolarHBondContact OD1-OD1 3.08Å
88	D	97.8	Very high	84.8	Confident	5 Å²	5	52 Å²	52	3%	0.027	28%	0.277	C	S	.	.			trans	-73.1	128.1	-173	-49.9	-71.6	0	0	0	111.6	M86 L90 F91 N186 N187 N188 C190 V192	M86-D88 WeakPolarHBondContact CB-OD2 3.32Å; M86-D88 PolarHBondContact O-N 2.88Å; D88-L90 VanDerWaalsContact C-N 3.3Å; D88-L90 PolarHBondContact O-N 3.26Å; D88-L90 VanDerWaalsContact O-N 3.14Å; D88-F91 HydrophobicContact CB-CB 4.43Å; D88-F91 VanDerWaalsContact O-CB 3.31Å; D88-F91 WeakPolarHBondContact O-CB 3.09Å; D88-F91 PolarHBondContact O-N 2.94Å; D88-N186 PolarHBondContact OD1-N 3.35Å; D88-N186 WeakPolarHBondContact OD2-CA 3.39Å; D88-N186 PolarHBondContact OD2-N 2.92Å; D88-N187 PolarHBondContact OD1-N 3.5Å; D88-N187 PolarHBondContact OD1-OD1 2.84Å; D88-N188 PolarHBondContact OD1-N 3.46Å; D88-N188 VanDerWaalsContact OD1-N 3.16Å; D88-C190 CarbonylContact C-O 3.52Å; D88-V192 HydrophobicContact CB-CG2 3.98Å; D88-V192 VanDerWaalsContact OD2-CG2 3.29Å; D88-V192 WeakPolarHBondContact OD2-CG2 3.49Å
89	P	96.2	Very high	86.1	Confident	79 Å²	79	49.9 Å²	49.9	51%	0.513	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-34.3	-168	-28.4	34.2	0	0	0	116.1	C190	P89-C190 WeakPolarHBondContact CD-O 3.39Å
90	L	96.4	Very high	87.3	Confident	29 Å²	29	52 Å²	52	15%	0.152	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-5.2	-178.4	-57.2	-170.1	0	0	0	113.2	D88 T92 K93 Q94 C190 A333 C341 L343	D88-L90 VanDerWaalsContact C-N 3.3Å; D88-L90 PolarHBondContact O-N 3.26Å; D88-L90 VanDerWaalsContact O-N 3.14Å; L90-T92 PolarHBondContact O-N 2.7Å; L90-K93 CarbonylContact O-C 3.5Å; L90-K93 WeakPolarHBondContact O-CA 3.13Å; L90-K93 WeakPolarHBondContact O-CB 3.27Å; L90-K93 PolarHBondContact O-N 3.17Å; L90-Q94 PolarHBondContact O-N 3.44Å; L90-Q94 VanDerWaalsContact O-N 3.15Å; L90-C190 WeakPolarHBondContact CA-O 3.45Å; L90-C190 WeakPolarHBondContact CB-O 3.22Å; L90-C190 HydrophobicContact CD1-CB 4.37Å; L90-C190 WeakPolarHBondContact CG-O 3.46Å; L90-C190 PolarHBondContact N-O 2.87Å; L90-A333 HydrophobicContact CB-CB 4.36Å; L90-A333 HydrophobicContact CD1-CB 4.44Å; L90-C341 HydrophobicContact CD1-CB 3.49Å; L90-C341 VanDerWaalsContact CD1-CB 3.49Å; L90-C341 HydrophobicContact CG-CB 4.49Å; L90-L343 HydrophobicContact CD1-CD2 4.23Å; L90-L343 HydrophobicContact CD2-CD2 4.13Å
91	F	95.8	Very high	88.6	Confident	17 Å²	17	46.7 Å²	46.7	8%	0.075	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-56.5	-40.7	-178.4	-177.5	-115.1	0	0	0	112.1	I84 M86 D88 K93 Q94 L97 I98 W117 V192	I84-F91 HydrophobicContact CG2-CE1 4.29Å; I84-F91 HydrophobicContact CG2-CZ 3.88Å; M86-F91 HydrophobicContact CB-CB 4.28Å; M86-F91 HydrophobicContact CB-CD1 3.75Å; M86-F91 HydrophobicContact CB-CD2 4.14Å; M86-F91 HydrophobicContact CB-CE1 4.06Å; M86-F91 HydrophobicContact CB-CE2 4.44Å; M86-F91 HydrophobicContact CB-CG 3.79Å; M86-F91 HydrophobicContact CB-CZ 4.39Å; M86-F91 HydrophobicContact CG-CD1 4.11Å; M86-F91 HydrophobicContact CG-CD2 4.11Å; M86-F91 HydrophobicContact CG-CE1 3.93Å; M86-F91 HydrophobicContact CG-CE2 3.94Å; M86-F91 HydrophobicContact CG-CG 4.2Å; M86-F91 HydrophobicContact CG-CZ 3.84Å; D88-F91 HydrophobicContact CB-CB 4.43Å; D88-F91 VanDerWaalsContact O-CB 3.31Å; D88-F91 WeakPolarHBondContact O-CB 3.09Å; D88-F91 PolarHBondContact O-N 2.94Å; F91-K93 PolarHBondContact O-N 3.07Å; F91-K93 VanDerWaalsContact O-N 3.1Å; F91-Q94 PolarHBondContact O-N 3.32Å; F91-Q94 VanDerWaalsContact O-N 3.08Å; F91-L97 HydrophobicContact CD2-CD1 4.42Å; F91-L97 HydrophobicContact CE2-CD1 4.26Å; F91-I98 HydrophobicContact CE1-CD1 4.23Å; F91-I98 HydrophobicContact CZ-CD1 3.64Å; F91-I98 HydrophobicContact CZ-CG1 4.42Å; F91-W117 HydrophobicContact CE2-CH2 4.05Å; F91-W117 AromaticContact CE2-CZ3 3.92Å; F91-W117 HydrophobicContact CE2-CZ3 3.92Å; F91-W117 HydrophobicContact CZ-CZ3 4.09Å; F91-V192 HydrophobicContact CD2-CB 4.14Å; F91-V192 HydrophobicContact CD2-CG2 3.86Å; F91-V192 HydrophobicContact CG-CG2 4.46Å
92	T	93	Very high	89.8	Confident	96 Å²	96	42.7 Å²	42.7	59%	0.589	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-64.2	-14.8	175.1	63	0	0	0	0	114.4	L90	L90-T92 PolarHBondContact O-N 2.7Å
93	K	94.3	Very high	90.9	Very high	55 Å²	55	41.7 Å²	41.7	24%	0.239	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-100.3	-13.1	177.2	-53.2	-55.2	-173.2	179.8	0	112.8	L90 F91 W95 E329 A333 L343	L90-K93 CarbonylContact O-C 3.5Å; L90-K93 WeakPolarHBondContact O-CA 3.13Å; L90-K93 WeakPolarHBondContact O-CB 3.27Å; L90-K93 PolarHBondContact O-N 3.17Å; F91-K93 PolarHBondContact O-N 3.07Å; F91-K93 VanDerWaalsContact O-N 3.1Å; K93-W95 PolarHBondContact O-N 2.76Å; K93-E329 WeakPolarHBondContact CE-OE1 2.99Å; K93-E329 IonicContact NZ-OE1 3.76Å; K93-E329 PolarHBondContact NZ-OE1 3.16Å; K93-E329 IonicContact NZ-OE2 2.85Å; K93-E329 PolarHBondContact NZ-OE2 3.17Å; K93-A333 HydrophobicContact CB-CB 4.37Å; K93-L343 HydrophobicContact CB-CD2 3.87Å; K93-L343 HydrophobicContact CG-CD2 4.32Å
94	Q	95.9	Very high	92	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.014	23%	0.226	C	C	.	.			trans	-79.1	67.7	176.8	-70.4	178.3	-68.7	0	0	111.2	L90 F91 Y96 L97 I98 V192 A333	L90-Q94 PolarHBondContact O-N 3.44Å; L90-Q94 VanDerWaalsContact O-N 3.15Å; F91-Q94 PolarHBondContact O-N 3.32Å; F91-Q94 VanDerWaalsContact O-N 3.08Å; Q94-Y96 HydrophobicContact CB-CD1 4.49Å; Q94-Y96 HydrophobicContact CB-CE1 3.94Å; Q94-Y96 HydrophobicContact CG-CE1 3.94Å; Q94-Y96 PolarHBondContact NE2-OH 3.13Å; Q94-Y96 PolarHBondContact O-N 3.15Å; Q94-L97 HydrophobicContact CB-CB 4.38Å; Q94-L97 HydrophobicContact CB-CD1 3.66Å; Q94-L97 HydrophobicContact CB-CG 3.94Å; Q94-L97 HydrophobicContact CG-CD1 4.18Å; Q94-L97 WeakPolarHBondContact O-CB 3.08Å; Q94-L97 PolarHBondContact O-N 2.83Å; Q94-I98 PolarHBondContact O-N 2.83Å; Q94-V192 PolarHBondContact NE2-O 2.81Å; Q94-A333 HydrophobicContact CG-CB 3.69Å; Q94-A333 PolarHBondContact NE2-O 3.41Å
95	W	94.3	Very high	92.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.1	-176.9	64.9	-94.1	0	0	0	113.3	K93 L97 I98 N99 Q102 N301 F320 S321 A330 G331	K93-W95 PolarHBondContact O-N 2.76Å; W95-L97 PolarHBondContact O-N 2.79Å; W95-I98 CarbonylContact O-C 3.53Å; W95-I98 VanDerWaalsContact O-C 3.22Å; W95-I98 PolarHBondContact O-N 3.06Å; W95-N99 WeakPolarHBondContact O-CA 3.41Å; W95-N99 VanDerWaalsContact O-CB 3.3Å; W95-N99 WeakPolarHBondContact O-CB 3.34Å; W95-N99 PolarHBondContact O-N 2.98Å; W95-N99 VanDerWaalsContact O-N 3.11Å; W95-Q102 VanDerWaalsContact CB-CD 3.48Å; W95-Q102 HydrophobicContact CB-CG 3.76Å; W95-N301 HydrophobicContact CD2-CB 3.78Å; W95-N301 HydrophobicContact CE3-CB 3.73Å; W95-N301 HydrophobicContact CH2-CB 3.53Å; W95-N301 VanDerWaalsContact CH2-N 3.26Å; W95-N301 HydrophobicContact CZ2-CB 3.55Å; W95-N301 HydrophobicContact CZ3-CB 3.64Å; W95-F320 HydrophobicContact CH2-CB 3.5Å; W95-F320 VanDerWaalsContact CH2-CB 3.5Å; W95-F320 AromaticContact CH2-CD1 3.54Å; W95-F320 HydrophobicContact CH2-CD1 3.54Å; W95-F320 AromaticContact CH2-CG 3.73Å; W95-F320 HydrophobicContact CH2-CG 3.73Å; W95-F320 HydrophobicContact CZ2-CB 4.26Å; W95-F320 HydrophobicContact CZ3-CB 3.81Å; W95-F320 AromaticContact CZ3-CD1 3.35Å; W95-F320 HydrophobicContact CZ3-CD1 3.35Å; W95-F320 HydrophobicContact CZ3-CD2 4.39Å; W95-F320 AromaticContact CZ3-CE1 3.97Å; W95-F320 HydrophobicContact CZ3-CE1 3.97Å; W95-F320 AromaticContact CZ3-CG 3.56Å; W95-F320 HydrophobicContact CZ3-CG 3.56Å; W95-S321 WeakPolarHBondContact CZ2-O 3.28Å; W95-A330 PolarHBondContact NE1-O 2.94Å; W95-G331 PolarHBondContact NE1-O 2.7Å
96	Y	95.1	Very high	93.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.6	175.5	58.3	-91	0	0	0	112.9	Q94 D110 L111 V332 A333 E354	Q94-Y96 HydrophobicContact CB-CD1 4.49Å; Q94-Y96 HydrophobicContact CB-CE1 3.94Å; Q94-Y96 HydrophobicContact CG-CE1 3.94Å; Q94-Y96 PolarHBondContact NE2-OH 3.13Å; Q94-Y96 PolarHBondContact O-N 3.15Å; Y96-D110 WeakPolarHBondContact O-CB 3.29Å; Y96-L111 HydrophobicContact CD2-CD1 4.34Å; Y96-L111 WeakPolarHBondContact O-CB 3.21Å; Y96-L111 WeakPolarHBondContact O-CG 3.14Å; Y96-L111 PolarHBondContact O-N 2.88Å; Y96-V332 HydrophobicContact CD1-CG1 4.27Å; Y96-V332 HydrophobicContact CE1-CB 4.37Å; Y96-V332 HydrophobicContact CE1-CG1 3.61Å; Y96-A333 PolarHBondContact OH-O 3.19Å; Y96-E354 WeakPolarHBondContact CB-OE1 3.34Å; Y96-E354 HydrophobicContact CD2-CG 4.07Å; Y96-E354 VanDerWaalsContact CD2-OE1 3.3Å; Y96-E354 WeakPolarHBondContact CD2-OE1 3.41Å; Y96-E354 HydrophobicContact CE2-CG 4.28Å; Y96-E354 VanDerWaalsContact CG-OE1 3.24Å
97	L	96	Very high	93.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-48.4	172.7	-55.5	178.4	0	0	0	111.3	F91 Q94 W95 V113 W117 V192 V194	F91-L97 HydrophobicContact CD2-CD1 4.42Å; F91-L97 HydrophobicContact CE2-CD1 4.26Å; Q94-L97 HydrophobicContact CB-CB 4.38Å; Q94-L97 HydrophobicContact CB-CD1 3.66Å; Q94-L97 HydrophobicContact CB-CG 3.94Å; Q94-L97 HydrophobicContact CG-CD1 4.18Å; Q94-L97 WeakPolarHBondContact O-CB 3.08Å; Q94-L97 PolarHBondContact O-N 2.83Å; W95-L97 PolarHBondContact O-N 2.79Å; L97-V113 HydrophobicContact CB-CG2 3.78Å; L97-V113 HydrophobicContact CD2-CG1 4.41Å; L97-V113 HydrophobicContact CD2-CG2 3.92Å; L97-V113 HydrophobicContact CG-CG2 4.43Å; L97-V113 WeakPolarHBondContact O-CG2 3.26Å; L97-W117 HydrophobicContact CB-CH2 4.49Å; L97-W117 HydrophobicContact CD1-CH2 4.11Å; L97-V192 WeakPolarHBondContact CD1-O 3.07Å; L97-V194 HydrophobicContact CD2-CB 4.47Å; L97-V194 HydrophobicContact CD2-CG2 3.59Å
98	I	93.6	Very high	93.2	Very high	18 Å²	18	34.8 Å²	34.8	9%	0.092	22%	0.218	C	C	.	.			trans	-143.3	105.2	178.6	-52.6	-178.8	0	0	0	108.9	I82 I84 F91 Q94 W95 T100 Q102 A114	I82-I98 HydrophobicContact CD1-CG2 4.44Å; I82-I98 HydrophobicContact CG2-CD1 4.22Å; I84-I98 HydrophobicContact CB-CD1 4.29Å; I84-I98 HydrophobicContact CG2-CD1 4.43Å; F91-I98 HydrophobicContact CE1-CD1 4.23Å; F91-I98 HydrophobicContact CZ-CD1 3.64Å; F91-I98 HydrophobicContact CZ-CG1 4.42Å; Q94-I98 PolarHBondContact O-N 2.83Å; W95-I98 CarbonylContact O-C 3.53Å; W95-I98 VanDerWaalsContact O-C 3.22Å; W95-I98 PolarHBondContact O-N 3.06Å; I98-T100 HydrophobicContact CG2-CG2 4.09Å; I98-T100 PolarHBondContact O-N 2.89Å; I98-Q102 PolarHBondContact O-NE2 2.91Å; I98-A114 HydrophobicContact CD1-CB 4.35Å; I98-A114 HydrophobicContact CG1-CB 4.41Å
99	N	92.5	Very high	92.9	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.219	C	C	.	.			trans	-94.4	95.9	-178.7	-167.2	-24.2	0	0	0	109.7	I79 W95 G101 Q102 T106 P107 G108 L109 D110	I79-N99 WeakPolarHBondContact CD1-O 3.37Å; W95-N99 WeakPolarHBondContact O-CA 3.41Å; W95-N99 VanDerWaalsContact O-CB 3.3Å; W95-N99 WeakPolarHBondContact O-CB 3.34Å; W95-N99 PolarHBondContact O-N 2.98Å; W95-N99 VanDerWaalsContact O-N 3.11Å; N99-G101 PolarHBondContact O-N 2.89Å; N99-G101 WeakPolarHBondContact OD1-CA 3.4Å; N99-G101 PolarHBondContact OD1-N 2.95Å; N99-Q102 PolarHBondContact OD1-OE1 2.93Å; N99-T106 PolarHBondContact ND2-O 2.89Å; N99-T106 VanDerWaalsContact ND2-O 3.12Å; N99-T106 PolarHBondContact OD1-O 3.45Å; N99-P107 CarbonylContact O-C 3.56Å; N99-P107 WeakPolarHBondContact O-CA 3.47Å; N99-G108 PolarHBondContact O-N 3.16Å; N99-L109 VanDerWaalsContact CB-O 3.28Å; N99-L109 WeakPolarHBondContact CB-O 3.12Å; N99-L109 PolarHBondContact ND2-O 3.48Å; N99-D110 HydrophobicContact CB-CB 3.93Å; N99-D110 PolarHBondContact N-OD2 2.87Å
100	T	91.7	Very high	92.9	Very high	86 Å²	86	32.2 Å²	32.2	53%	0.528	20%	0.2	S	C	.	.	S	Bend	trans	-84.5	7.1	174.3	60.7	0	0	0	0	113.1	I79 I98 Q102	I79-T100 HydrophobicContact CG1-CG2 4.45Å; I98-T100 HydrophobicContact CG2-CG2 4.09Å; I98-T100 PolarHBondContact O-N 2.89Å; T100-Q102 PolarHBondContact OG1-OE1 2.95Å
101	G	90.2	Very high	92.9	Very high	29 Å²	29	30.9 Å²	30.9	30%	0.299	19%	0.193	S	C	.	.	S	Bend	trans	90.7	14.5	-169.7	0	0	0	0	0	114	N99 G105	N99-G101 PolarHBondContact O-N 2.89Å; N99-G101 WeakPolarHBondContact OD1-CA 3.4Å; N99-G101 PolarHBondContact OD1-N 2.95Å; G101-G105 WeakPolarHBondContact CA-O 3.29Å
102	Q	88.9	Confident	92.9	Very high	33 Å²	33	31.2 Å²	31.2	15%	0.154	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-64.1	151	173.3	70.4	-85.8	53.5	0	0	110.8	W95 I98 N99 T100 D104 G105	W95-Q102 VanDerWaalsContact CB-CD 3.48Å; W95-Q102 HydrophobicContact CB-CG 3.76Å; I98-Q102 PolarHBondContact O-NE2 2.91Å; N99-Q102 PolarHBondContact OD1-OE1 2.93Å; T100-Q102 PolarHBondContact OG1-OE1 2.95Å; Q102-D104 PolarHBondContact O-N 3.23Å; Q102-G105 PolarHBondContact O-N 3.23Å
103	A	88.9	Confident	93.1	Very high	17 Å²	17	26.6 Å²	26.6	14%	0.14	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	53.8	34.4	178.8	0	0	0	0	0	115.1	G105 N301 E329 A330	A103-G105 PolarHBondContact O-N 2.81Å; A103-N301 PolarHBondContact O-ND2 2.67Å; A103-E329 HydrophobicContact CB-CB 4.15Å; A103-E329 WeakPolarHBondContact CB-O 3.46Å; A103-A330 HydrophobicContact CB-CB 3.81Å
104	D	90.2	Very high	93.1	Very high	101 Å²	101	24.1 Å²	24.1	54%	0.54	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	65.2	21.4	-174.5	-52.2	-47.7	0	0	0	114.2	Q102 K325	Q102-D104 PolarHBondContact O-N 3.23Å; D104-K325 IonicContact OD2-NZ 3.45Å; D104-K325 PolarHBondContact OD2-NZ 2.97Å
105	G	90.9	Very high	93.1	Very high	10 Å²	10	26.1 Å²	26.1	10%	0.103	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-71.7	166	176.2	0	0	0	0	0	113.3	G101 Q102 A103 N301	G101-G105 WeakPolarHBondContact CA-O 3.29Å; Q102-G105 PolarHBondContact O-N 3.23Å; A103-G105 PolarHBondContact O-N 2.81Å; G105-N301 CarbonylContact C-O 3.29Å; G105-N301 WeakPolarHBondContact CA-O 3.4Å; G105-N301 PolarHBondContact N-ND2 3.26Å
106	T	92.5	Very high	93.2	Very high	44 Å²	44	26.1 Å²	26.1	27%	0.27	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-93.3	120.5	175.2	-43.8	0	0	0	0	110.7	N99 G108 L109 N301	N99-T106 PolarHBondContact ND2-O 2.89Å; N99-T106 VanDerWaalsContact ND2-O 3.12Å; N99-T106 PolarHBondContact OD1-O 3.45Å; T106-G108 PolarHBondContact O-N 3.34Å; T106-L109 VanDerWaalsContact O-CB 3.3Å; T106-L109 WeakPolarHBondContact O-CB 3.18Å; T106-L109 PolarHBondContact O-N 3.18Å; T106-N301 PolarHBondContact N-O 2.77Å
107	P	91.9	Very high	93.3	Very high	69 Å²	69	26.9 Å²	26.9	45%	0.448	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	131.6	-176.4	-28.3	34.3	0	0	0	114.5	I79 N99 L109	I79-P107 HydrophobicContact CD1-CB 4.37Å; N99-P107 CarbonylContact O-C 3.56Å; N99-P107 WeakPolarHBondContact O-CA 3.47Å; P107-L109 PolarHBondContact O-N 3.34Å
108	G	90.3	Very high	93.3	Very high	39 Å²	39	32.2 Å²	32.2	40%	0.402	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	7.1	-178.2	0	0	0	0	0	114.9	N99 T106 D110	N99-G108 PolarHBondContact O-N 3.16Å; T106-G108 PolarHBondContact O-N 3.34Å; G108-D110 PolarHBondContact O-N 2.75Å
109	L	93.5	Very high	93.4	Very high	9 Å²	9	35.2 Å²	35.2	5%	0.047	21%	0.21	C	C	.	.			trans	-88.7	81.9	162.4	-178.6	66.4	0	0	0	108.2	N99 T106 P107 G303 F320 Q386 L387	N99-L109 VanDerWaalsContact CB-O 3.28Å; N99-L109 WeakPolarHBondContact CB-O 3.12Å; N99-L109 PolarHBondContact ND2-O 3.48Å; T106-L109 VanDerWaalsContact O-CB 3.3Å; T106-L109 WeakPolarHBondContact O-CB 3.18Å; T106-L109 PolarHBondContact O-N 3.18Å; P107-L109 PolarHBondContact O-N 3.34Å; L109-G303 VanDerWaalsContact CD2-N 3.27Å; L109-F320 HydrophobicContact CD1-CE1 3.94Å; L109-F320 HydrophobicContact CD1-CZ 3.92Å; L109-F320 HydrophobicContact CD2-CE1 4.28Å; L109-F320 HydrophobicContact CG-CE1 3.69Å; L109-F320 HydrophobicContact CG-CZ 3.9Å; L109-Q386 HydrophobicContact CD1-CB 4.38Å; L109-L387 HydrophobicContact CD1-CD2 4.14Å
110	D	94.8	Very high	93.6	Very high	22 Å²	22	37.5 Å²	37.5	12%	0.118	23%	0.234	C	C	.	.	S	Bend	trans	-147.2	177.8	178.8	51.8	56.8	0	0	0	109	Y96 N99 G108 N112 F320	Y96-D110 WeakPolarHBondContact O-CB 3.29Å; N99-D110 HydrophobicContact CB-CB 3.93Å; N99-D110 PolarHBondContact N-OD2 2.87Å; G108-D110 PolarHBondContact O-N 2.75Å; D110-N112 PolarHBondContact O-N 2.86Å; D110-N112 WeakPolarHBondContact OD1-CA 3.2Å; D110-N112 PolarHBondContact OD1-N 2.9Å; D110-F320 VanDerWaalsContact CA-CE2 3.43Å
111	L	97.1	Very high	93.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.216	C	C	.	.			trans	-72.2	-2.8	-178.4	-67.2	171.1	0	0	0	113.2	Y96 V113 V194 T319 F320 E354 V358 V411 L412 A414	Y96-L111 HydrophobicContact CD2-CD1 4.34Å; Y96-L111 WeakPolarHBondContact O-CB 3.21Å; Y96-L111 WeakPolarHBondContact O-CG 3.14Å; Y96-L111 PolarHBondContact O-N 2.88Å; L111-V113 HydrophobicContact CB-CG1 3.73Å; L111-V113 HydrophobicContact CD1-CG1 4.38Å; L111-V113 PolarHBondContact O-N 3.44Å; L111-V194 HydrophobicContact CD1-CG2 3.97Å; L111-T319 HydrophobicContact CD2-CG2 3.8Å; L111-F320 HydrophobicContact CD2-CD2 3.95Å; L111-F320 HydrophobicContact CD2-CE2 3.98Å; L111-F320 HydrophobicContact CG-CD2 3.88Å; L111-F320 HydrophobicContact CG-CE2 3.99Å; L111-E354 HydrophobicContact CD1-CB 4.01Å; L111-E354 HydrophobicContact CD1-CG 4.27Å; L111-V358 HydrophobicContact CD1-CG2 4.31Å; L111-V358 HydrophobicContact CD2-CG2 4.32Å; L111-V411 HydrophobicContact CD2-CG1 4.43Å; L111-L412 HydrophobicContact CD2-CB 4.27Å; L111-A414 WeakPolarHBondContact O-CB 3.36Å; L111-A414 PolarHBondContact O-N 2.8Å
112	N	96.1	Very high	94.3	Very high	24 Å²	24	34.5 Å²	34.5	13%	0.128	21%	0.206	C	C	.	.			trans	52.7	33.7	-173	-171	35.8	0	0	0	113.1	D110 A114 E115 D413 G415	D110-N112 PolarHBondContact O-N 2.86Å; D110-N112 WeakPolarHBondContact OD1-CA 3.2Å; D110-N112 PolarHBondContact OD1-N 2.9Å; N112-A114 PolarHBondContact O-N 3.39Å; N112-E115 PolarHBondContact ND2-OE2 2.84Å; N112-E115 PolarHBondContact O-N 2.86Å; N112-E115 WeakPolarHBondContact OD1-CB 3.39Å; N112-D413 PolarHBondContact ND2-OD1 2.82Å; N112-D413 PolarHBondContact ND2-OD2 3.47Å; N112-G415 PolarHBondContact O-N 3.39Å
113	V	96.9	Very high	94.7	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-28.7	178.8	-67.5	0	0	0	0	112.2	L97 L111 E115 A116 W117 V194 L361 A414	L97-V113 HydrophobicContact CB-CG2 3.78Å; L97-V113 HydrophobicContact CD2-CG1 4.41Å; L97-V113 HydrophobicContact CD2-CG2 3.92Å; L97-V113 HydrophobicContact CG-CG2 4.43Å; L97-V113 WeakPolarHBondContact O-CG2 3.26Å; L111-V113 HydrophobicContact CB-CG1 3.73Å; L111-V113 HydrophobicContact CD1-CG1 4.38Å; L111-V113 PolarHBondContact O-N 3.44Å; V113-E115 PolarHBondContact O-N 2.86Å; V113-E115 VanDerWaalsContact O-N 3.17Å; V113-A116 WeakPolarHBondContact O-CB 3.49Å; V113-A116 PolarHBondContact O-N 3.15Å; V113-W117 HydrophobicContact CB-CD2 4.37Å; V113-W117 HydrophobicContact CB-CZ2 4Å; V113-W117 HydrophobicContact CG2-CD2 4.43Å; V113-W117 HydrophobicContact CG2-CE3 4.45Å; V113-W117 HydrophobicContact CG2-CH2 3.79Å; V113-W117 HydrophobicContact CG2-CZ2 3.74Å; V113-W117 HydrophobicContact CG2-CZ3 4.15Å; V113-W117 VanDerWaalsContact O-CG 3.29Å; V113-W117 PolarHBondContact O-N 3Å; V113-V194 HydrophobicContact CG1-CG1 3.81Å; V113-L361 HydrophobicContact CG1-CD1 4.43Å; V113-A414 HydrophobicContact CB-CB 4.46Å; V113-A414 HydrophobicContact CG1-CB 3.87Å
114	A	95	Very high	95.2	Very high	2 Å²	2	39 Å²	39	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-52.4	-38.5	175.2	0	0	0	0	0	112.4	I82 I84 I98 N112 E118	I82-A114 HydrophobicContact CD1-CB 4.46Å; I82-A114 HydrophobicContact CG2-CB 4.02Å; I84-A114 HydrophobicContact CD1-CB 3.42Å; I84-A114 VanDerWaalsContact CD1-CB 3.42Å; I84-A114 WeakPolarHBondContact CD1-O 3.35Å; I98-A114 HydrophobicContact CD1-CB 4.35Å; I98-A114 HydrophobicContact CG1-CB 4.41Å; N112-A114 PolarHBondContact O-N 3.39Å; A114-E118 WeakPolarHBondContact O-CG 3.45Å; A114-E118 PolarHBondContact O-N 2.92Å; A114-E118 VanDerWaalsContact O-N 3.1Å
115	E	94.5	Very high	95.6	Very high	45 Å²	45	37.1 Å²	37.1	21%	0.21	23%	0.226	C	C	.	.	H	α-helix	trans	-73.2	-36.9	177.9	-177	161.5	-127.9	0	0	112.5	R77 N112 V113 L119 K419	R77-E115 VanDerWaalsContact NH1-N 3.13Å; N112-E115 PolarHBondContact ND2-OE2 2.84Å; N112-E115 PolarHBondContact O-N 2.86Å; N112-E115 WeakPolarHBondContact OD1-CB 3.39Å; V113-E115 PolarHBondContact O-N 2.86Å; V113-E115 VanDerWaalsContact O-N 3.17Å; E115-L119 VanDerWaalsContact O-CG 3.24Å; E115-L119 WeakPolarHBondContact O-CG 3.38Å; E115-L119 PolarHBondContact O-N 3.31Å; E115-K419 WeakPolarHBondContact OE1-CE 3.38Å; E115-K419 IonicContact OE1-NZ 3.13Å; E115-K419 PolarHBondContact OE1-NZ 3.3Å; E115-K419 IonicContact OE2-NZ 2.77Å; E115-K419 PolarHBondContact OE2-NZ 3.33Å
116	A	96.9	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-41.6	174.5	0	0	0	0	0	111.8	V113 L119 G120 Y121 L361 A414 V418	V113-A116 WeakPolarHBondContact O-CB 3.49Å; V113-A116 PolarHBondContact O-N 3.15Å; A116-L119 WeakPolarHBondContact O-CB 3.15Å; A116-L119 PolarHBondContact O-N 3.3Å; A116-G120 PolarHBondContact O-N 3.28Å; A116-Y121 PolarHBondContact O-N 2.83Å; A116-Y121 VanDerWaalsContact O-N 3.1Å; A116-L361 HydrophobicContact CB-CD1 3.78Å; A116-A414 HydrophobicContact CB-CB 4.11Å; A116-V418 HydrophobicContact CB-CB 4.42Å; A116-V418 HydrophobicContact CB-CG2 3.91Å
117	W	97.4	Very high	96.3	Very high	17 Å²	17	35 Å²	35	6%	0.064	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-41.1	178.2	-61.4	-15.5	0	0	0	112.6	I84 M86 F91 L97 V113 L119 G120 Y121 V192 V194 Y196	I84-W117 HydrophobicContact CD1-CE3 4.06Å; I84-W117 HydrophobicContact CG2-CE3 4.02Å; I84-W117 HydrophobicContact CG2-CZ3 4.08Å; M86-W117 HydrophobicContact CE-CE3 4.19Å; M86-W117 HydrophobicContact CE-CZ3 4.2Å; F91-W117 HydrophobicContact CE2-CH2 4.05Å; F91-W117 AromaticContact CE2-CZ3 3.92Å; F91-W117 HydrophobicContact CE2-CZ3 3.92Å; F91-W117 HydrophobicContact CZ-CZ3 4.09Å; L97-W117 HydrophobicContact CB-CH2 4.49Å; L97-W117 HydrophobicContact CD1-CH2 4.11Å; V113-W117 HydrophobicContact CB-CD2 4.37Å; V113-W117 HydrophobicContact CB-CZ2 4Å; V113-W117 HydrophobicContact CG2-CD2 4.43Å; V113-W117 HydrophobicContact CG2-CE3 4.45Å; V113-W117 HydrophobicContact CG2-CH2 3.79Å; V113-W117 HydrophobicContact CG2-CZ2 3.74Å; V113-W117 HydrophobicContact CG2-CZ3 4.15Å; V113-W117 VanDerWaalsContact O-CG 3.29Å; V113-W117 PolarHBondContact O-N 3Å; W117-L119 PolarHBondContact O-N 3.05Å; W117-G120 WeakPolarHBondContact O-CA 3.27Å; W117-G120 PolarHBondContact O-N 2.82Å; W117-Y121 VanDerWaalsContact CD1-O 3.29Å; W117-V192 HydrophobicContact CH2-CG1 4.29Å; W117-V192 HydrophobicContact CZ2-CG1 4.49Å; W117-V194 PolarHBondContact NE1-O 3.38Å; W117-Y196 AromaticContact CD1-CE1 3.87Å; W117-Y196 AromaticContact CD2-CE1 3.8Å; W117-Y196 HydrophobicContact CD2-CE1 3.8Å; W117-Y196 AromaticContact CE2-CD1 3.93Å; W117-Y196 AromaticContact CE2-CE1 3.58Å; W117-Y196 HydrophobicContact CE3-CE1 4.44Å; W117-Y196 AromaticContact CG-CE1 3.97Å; W117-Y196 HydrophobicContact CG-CE1 3.97Å; W117-Y196 AromaticContact CZ2-CD1 3.98Å; W117-Y196 HydrophobicContact CZ2-CD1 3.98Å; W117-Y196 HydrophobicContact CZ2-CE1 4.03Å; W117-Y196 AromaticContact NE1-CD1 3.99Å; W117-Y196 AromaticContact NE1-CE1 3.62Å
118	E	95.1	Very high	96.6	Very high	111 Å²	111	31.8 Å²	31.8	52%	0.519	19%	0.19	S	C	.	.	H	α-helix	trans	-62	-30.7	173	-80	177	172.8	0	0	112.8	R77 I84 A114 G120	R77-E118 IonicContact CZ-OE1 3.99Å; R77-E118 IonicContact CZ-OE2 2.83Å; R77-E118 IonicContact NH1-OE2 2.94Å; R77-E118 IonicContact NH2-OE1 3.38Å; R77-E118 PolarHBondContact NH2-OE1 3.36Å; R77-E118 IonicContact NH2-OE2 2.71Å; R77-E118 PolarHBondContact NH2-OE2 2.89Å; I84-E118 HydrophobicContact CD1-CG 4.37Å; A114-E118 WeakPolarHBondContact O-CG 3.45Å; A114-E118 PolarHBondContact O-N 2.92Å; A114-E118 VanDerWaalsContact O-N 3.1Å; E118-G120 PolarHBondContact O-N 3.02Å
119	L	95.3	Very high	97	Very high	82 Å²	82	29.9 Å²	29.9	43%	0.429	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.1	172.8	-68.8	170.6	0	0	0	113.2	E115 A116 W117 Y121 V418 K419	E115-L119 VanDerWaalsContact O-CG 3.24Å; E115-L119 WeakPolarHBondContact O-CG 3.38Å; E115-L119 PolarHBondContact O-N 3.31Å; A116-L119 WeakPolarHBondContact O-CB 3.15Å; A116-L119 PolarHBondContact O-N 3.3Å; W117-L119 PolarHBondContact O-N 3.05Å; L119-Y121 HydrophobicContact CB-CD2 3.67Å; L119-Y121 HydrophobicContact CB-CE2 3.82Å; L119-V418 HydrophobicContact CD1-CG1 4.07Å; L119-K419 HydrophobicContact CD1-CD 4.39Å; L119-K419 HydrophobicContact CD1-CG 3.67Å
120	G	96.6	Very high	97.2	Very high	48 Å²	48	29.6 Å²	29.6	50%	0.495	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	12.4	176.4	0	0	0	0	0	115	A116 W117 E118	A116-G120 PolarHBondContact O-N 3.28Å; W117-G120 WeakPolarHBondContact O-CA 3.27Å; W117-G120 PolarHBondContact O-N 2.82Å; E118-G120 PolarHBondContact O-N 3.02Å
121	Y	98.4	Very high	97.4	Very high	39 Å²	39	28.5 Å²	28.5	15%	0.153	16%	0.163	C	C	.	.			trans	-99.9	125.9	179	-57.6	-78.6	0	0	0	110.2	A116 W117 L119 E364 A365 V418	A116-Y121 PolarHBondContact O-N 2.83Å; A116-Y121 VanDerWaalsContact O-N 3.1Å; W117-Y121 VanDerWaalsContact CD1-O 3.29Å; L119-Y121 HydrophobicContact CB-CD2 3.67Å; L119-Y121 HydrophobicContact CB-CE2 3.82Å; Y121-E364 WeakPolarHBondContact CA-OE2 3.28Å; Y121-E364 HydrophobicContact CD1-CB 4.19Å; Y121-E364 HydrophobicContact CD1-CG 3.92Å; Y121-A365 HydrophobicContact CD1-CB 3.88Å; Y121-A365 HydrophobicContact CE1-CB 3.57Å; Y121-A365 HydrophobicContact CE2-CB 4.36Å; Y121-A365 HydrophobicContact CG-CB 4.41Å; Y121-V418 HydrophobicContact CD2-CB 4.46Å; Y121-V418 HydrophobicContact CD2-CG1 3.13Å; Y121-V418 HydrophobicContact CE2-CG1 3.32Å; Y121-V418 HydrophobicContact CG-CG1 3.8Å
122	T	98.6	Very high	97.5	Very high	13 Å²	13	28.7 Å²	28.7	8%	0.08	16%	0.164	C	C	.	.	S	Bend	trans	-137.6	6.8	-170.4	57.9	0	0	0	0	112.7	A195 Y196 N197 L361 E364	T122-A195 CarbonylContact O-C 3.53Å; T122-A195 VanDerWaalsContact O-CA 3.28Å; T122-A195 WeakPolarHBondContact O-CA 3.17Å; T122-Y196 HydrophobicContact CG2-CE1 4.05Å; T122-Y196 HydrophobicContact CG2-CE2 3.65Å; T122-Y196 WeakPolarHBondContact CG2-OH 3.33Å; T122-Y196 PolarHBondContact O-N 2.88Å; T122-N197 WeakPolarHBondContact CB-ND2 3.2Å; T122-N197 PolarHBondContact O-N 3.17Å; T122-N197 WeakPolarHBondContact OG1-CB 3.49Å; T122-N197 PolarHBondContact OG1-ND2 3.2Å; T122-L361 VanDerWaalsContact C-CD2 3.43Å; T122-E364 PolarHBondContact N-OE2 3Å
123	G	98.7	Very high	97.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.			trans	90.8	10.4	-177.9	0	0	0	0	0	114.1	G125 V126 S198 L361 E364	G123-G125 PolarHBondContact O-N 2.9Å; G123-V126 PolarHBondContact O-N 3.32Å; G123-S198 WeakPolarHBondContact O-CA 3.24Å; G123-S198 WeakPolarHBondContact O-CB 3.14Å; G123-L361 VanDerWaalsContact N-CD2 3.33Å; G123-E364 WeakPolarHBondContact CA-OE2 3.11Å; G123-E364 PolarHBondContact N-OE2 2.69Å
124	K	98.7	Very high	97.5	Very high	145 Å²	145	28 Å²	28	63%	0.63	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	131.1	-170	-173.6	-178.3	175.8	179.7	0	111.5	V126 N197 E364	K124-V126 VanDerWaalsContact C-N 3.29Å; K124-N197 HydrophobicContact CB-CB 4.28Å; K124-E364 WeakPolarHBondContact CB-OE1 3.17Å; K124-E364 VanDerWaalsContact N-CD 3.3Å; K124-E364 PolarHBondContact N-OE2 2.7Å
125	G	97.9	Very high	97.6	Very high	61 Å²	61	27.9 Å²	27.9	63%	0.629	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.8	5.4	177	0	0	0	0	0	114.5	G123	G123-G125 PolarHBondContact O-N 2.9Å
126	V	98.9	Very high	97.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.			trans	-102.6	138.4	172.5	-177.3	0	0	0	0	109.2	G123 K124 I128 K199 D228 I229 A360 L363	G123-V126 PolarHBondContact O-N 3.32Å; K124-V126 VanDerWaalsContact C-N 3.29Å; V126-I128 HydrophobicContact CG1-CD1 4.22Å; V126-K199 PolarHBondContact O-N 3.02Å; V126-D228 WeakPolarHBondContact CA-OD2 3.27Å; V126-D228 HydrophobicContact CG1-CB 3.79Å; V126-I229 HydrophobicContact CG1-CD1 4.07Å; V126-A360 HydrophobicContact CB-CB 4.17Å; V126-A360 HydrophobicContact CG1-CB 3.84Å; V126-L363 HydrophobicContact CG1-CB 4.46Å; V126-L363 HydrophobicContact CG1-CD1 3.94Å; V126-L363 HydrophobicContact CG2-CB 3.76Å
127	T	98.9	Very high	97.8	Very high	10 Å²	10	27.8 Å²	27.8	6%	0.061	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.2	172.7	-57.3	0	0	0	0	111.2	N147 A150 K199 A201 L226 I227 D228 I229	T127-N147 HydrophobicContact CG2-CB 4.25Å; T127-N147 PolarHBondContact OG1-ND2 3Å; T127-A150 HydrophobicContact CG2-CB 4.01Å; T127-K199 CarbonylContact C-O 3.51Å; T127-K199 WeakPolarHBondContact CA-O 3.22Å; T127-K199 HydrophobicContact CG2-CB 4.28Å; T127-A201 HydrophobicContact CG2-CB 4.28Å; T127-L226 VanDerWaalsContact CB-O 3.31Å; T127-L226 WeakPolarHBondContact CB-O 3.13Å; T127-I227 HydrophobicContact CG2-CG1 4.24Å; T127-D228 PolarHBondContact N-OD2 3.41Å; T127-D228 PolarHBondContact O-N 3.19Å; T127-I229 PolarHBondContact O-N 3.14Å
128	I	98.9	Very high	97.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.2	177	-54.5	86.4	0	0	0	109.3	V126 I130 V181 S198 K199 V200 A201 I229 A356 A360	V126-I128 HydrophobicContact CG1-CD1 4.22Å; I128-I130 HydrophobicContact CG2-CD1 4.15Å; I128-V181 HydrophobicContact CB-CG1 4.14Å; I128-V181 HydrophobicContact CD1-CG1 3.77Å; I128-V181 HydrophobicContact CG1-CG1 3.83Å; I128-V181 HydrophobicContact CG2-CG1 4.3Å; I128-S198 VanDerWaalsContact CD1-CB 3.47Å; I128-S198 VanDerWaalsContact CD1-OG 3.32Å; I128-S198 WeakPolarHBondContact CD1-OG 3.37Å; I128-K199 WeakPolarHBondContact CD1-O 3.36Å; I128-K199 PolarHBondContact N-O 3.44Å; I128-V200 CarbonylContact O-C 3.04Å; I128-V200 WeakPolarHBondContact O-CA 3.38Å; I128-A201 PolarHBondContact O-N 3.43Å; I128-I229 CarbonylContact C-O 3.52Å; I128-I229 VanDerWaalsContact CA-O 3.27Å; I128-I229 WeakPolarHBondContact CA-O 3.35Å; I128-I229 HydrophobicContact CG1-CB 4.17Å; I128-I229 HydrophobicContact CG1-CD1 4.27Å; I128-I229 HydrophobicContact CG2-CB 4.29Å; I128-I229 HydrophobicContact CG2-CG2 4.32Å; I128-A356 HydrophobicContact CG2-CB 4.14Å; I128-A360 HydrophobicContact CD1-CB 3.88Å; I128-A360 HydrophobicContact CG1-CB 4.33Å
129	G	98.8	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.2	172.5	0	0	0	0	0	111.5	A201 I229 Y230 S231	G129-A201 WeakPolarHBondContact CA-O 3.47Å; G129-I229 PolarHBondContact N-O 2.85Å; G129-Y230 WeakPolarHBondContact O-CA 3.16Å; G129-S231 PolarHBondContact O-N 3.33Å
130	I	98.8	Very high	98.1	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	108	173.9	-54.2	-57.3	0	0	0	108.3	I128 D132 I135 C177 A178 V181 V200 A201 I203	I128-I130 HydrophobicContact CG2-CD1 4.15Å; I130-D132 HydrophobicContact CG2-CB 3.89Å; I130-D132 PolarHBondContact O-N 3.35Å; I130-I135 HydrophobicContact CB-CG2 4.27Å; I130-I135 HydrophobicContact CG2-CG2 4.49Å; I130-C177 HydrophobicContact CG2-CB 3.95Å; I130-A178 HydrophobicContact CG1-CB 4.2Å; I130-V181 HydrophobicContact CD1-CG2 4.25Å; I130-V200 HydrophobicContact CD1-CG2 4.48Å; I130-V200 HydrophobicContact CG1-CG2 3.71Å; I130-A201 PolarHBondContact N-O 2.78Å; I130-I203 PolarHBondContact O-N 3.5Å
131	M	98.4	Very high	98.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	94.5	179.5	-63.2	-174	-58.6	0	0	109.8	I203 I220 Y230 S231 A232 W234 W271	M131-I203 HydrophobicContact CG-CB 4.07Å; M131-I203 HydrophobicContact CG-CD1 3.78Å; M131-I203 HydrophobicContact CG-CG2 4.19Å; M131-I220 HydrophobicContact CE-CG1 4.08Å; M131-I220 HydrophobicContact SD-CG1 3.94Å; M131-Y230 HydrophobicContact CG-CD1 4.32Å; M131-Y230 HydrophobicContact SD-CD1 3.83Å; M131-Y230 HydrophobicContact SD-CG 4.45Å; M131-S231 PolarHBondContact N-O 3Å; M131-A232 HydrophobicContact CB-CB 4.47Å; M131-A232 HydrophobicContact CE-CB 3.65Å; M131-W234 HydrophobicContact CE-CZ2 4.3Å; M131-W234 PolarHBondContact O-NE1 2.83Å; M131-W271 HydrophobicContact CE-CH2 3.96Å; M131-W271 HydrophobicContact CE-CZ3 3.83Å
132	D	97.9	Very high	98.2	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	-151.8	-165.5	-147	-81.1	0	0	0	113.6	I130 G134 H173 G174 I203 R204 M205 L206	I130-D132 HydrophobicContact CG2-CB 3.89Å; I130-D132 PolarHBondContact O-N 3.35Å; D132-G134 VanDerWaalsContact C-N 3.31Å; D132-H173 WeakPolarHBondContact OD1-CB 3.38Å; D132-H173 IonicContact OD1-CG 3.08Å; D132-H173 IonicContact OD1-ND1 3.59Å; D132-H173 PolarHBondContact OD1-ND1 3.38Å; D132-H173 IonicContact OD2-CE1 2.71Å; D132-H173 PolarHBondContact OD2-CE1 3.13Å; D132-H173 IonicContact OD2-CG 3.23Å; D132-H173 IonicContact OD2-ND1 2.53Å; D132-H173 PolarHBondContact OD2-ND1 2.96Å; D132-G174 PolarHBondContact OD1-N 3Å; D132-G174 VanDerWaalsContact OD1-N 3.09Å; D132-I203 PolarHBondContact N-O 3.11Å; D132-R204 WeakPolarHBondContact O-CA 3.38Å; D132-M205 PolarHBondContact O-N 2.79Å; D132-L206 HydrophobicContact CB-CD1 4.43Å; D132-L206 PolarHBondContact O-N 2.93Å
133	D	96.4	Very high	98.2	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.043	15%	0.145	C	C	.	.	S	Bend	trans	-82.3	-2.5	178.9	63	12.8	0	0	0	114.6	N171 S172 H173 G174 R204 L206	D133-N171 HydrophobicContact CB-CB 4.19Å; D133-N171 VanDerWaalsContact CG-C 3.47Å; D133-N171 WeakPolarHBondContact OD2-CA 3.45Å; D133-S172 PolarHBondContact OD2-N 3.25Å; D133-H173 PolarHBondContact OD1-N 2.92Å; D133-H173 WeakPolarHBondContact OD2-CB 3.36Å; D133-H173 PolarHBondContact OD2-N 2.87Å; D133-G174 WeakPolarHBondContact OD1-CA 3.31Å; D133-G174 PolarHBondContact OD1-N 3.38Å; D133-R204 WeakPolarHBondContact O-CD 3.23Å; D133-R204 WeakPolarHBondContact O-CG 3.31Å; D133-R204 PolarHBondContact O-NE 3.38Å; D133-L206 HydrophobicContact CB-CB 4.37Å
134	G	97.1	Very high	98.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	17%	0.169	C	C	.	.			trans	123	171.5	178.5	0	0	0	0	0	112.8	D132 P161 G174 T175	D132-G134 VanDerWaalsContact C-N 3.31Å; G134-P161 CarbonylContact C-O 3.57Å; G134-P161 WeakPolarHBondContact CA-O 3.18Å; G134-G174 CarbonylContact O-C 3.53Å; G134-G174 VanDerWaalsContact O-CA 3.29Å; G134-G174 WeakPolarHBondContact O-CA 3.34Å; G134-T175 PolarHBondContact O-N 2.97Å
135	I	97.5	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.141	C	C	.	.			trans	-128.7	132.4	174.7	72.3	174.7	0	0	0	110.4	I130 Y137 Y146 P161 P163 A178 G202	I130-I135 HydrophobicContact CB-CG2 4.27Å; I130-I135 HydrophobicContact CG2-CG2 4.49Å; I135-Y137 WeakPolarHBondContact O-CD1 3.41Å; I135-Y137 PolarHBondContact O-N 3.16Å; I135-Y146 HydrophobicContact CD1-CD2 3.73Å; I135-Y146 HydrophobicContact CD1-CE2 3.82Å; I135-Y146 HydrophobicContact CG1-CE2 4.43Å; I135-P161 HydrophobicContact CG1-CG 4.32Å; I135-P161 PolarHBondContact N-O 2.91Å; I135-P163 VanDerWaalsContact O-CD 3.25Å; I135-P163 WeakPolarHBondContact O-CD 3.31Å; I135-A178 HydrophobicContact CG2-CB 4.09Å; I135-G202 VanDerWaalsContact CD1-N 3.33Å
136	D	97.9	Very high	98.2	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.011	12%	0.119	C	C	.	.			trans	-70.4	77.2	168.7	-174.7	2.3	0	0	0	108.6	L138 H139 Y162 T175 L337 Y338	D136-L138 PolarHBondContact O-N 3.14Å; D136-L138 PolarHBondContact OD1-N 2.73Å; D136-H139 HydrophobicContact CB-CB 4.24Å; D136-H139 WeakPolarHBondContact O-CB 3.48Å; D136-H139 PolarHBondContact O-N 2.94Å; D136-H139 PolarHBondContact OD1-N 2.63Å; D136-Y162 HydrophobicContact CB-CE2 4.41Å; D136-Y162 WeakPolarHBondContact OD1-CE2 3.33Å; D136-Y162 PolarHBondContact OD1-OH 3.21Å; D136-T175 HydrophobicContact CB-CG2 3.77Å; D136-T175 PolarHBondContact N-OG1 2.91Å; D136-L337 HydrophobicContact CB-CD2 4.23Å; D136-Y338 WeakPolarHBondContact OD2-CA 3.4Å; D136-Y338 PolarHBondContact OD2-N 3.05Å
137	Y	96.9	Very high	98.2	Very high	40 Å²	40	21.3 Å²	21.3	16%	0.157	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-6.9	-179.6	57.6	-104.8	0	0	0	113.2	I135 A143 Y146 P161 Y162	I135-Y137 WeakPolarHBondContact O-CD1 3.41Å; I135-Y137 PolarHBondContact O-N 3.16Å; Y137-A143 WeakPolarHBondContact O-CA 3.38Å; Y137-Y146 VanDerWaalsContact CB-CD2 3.47Å; Y137-Y146 HydrophobicContact CD1-CE1 4.37Å; Y137-Y146 HydrophobicContact CD1-CE2 4.25Å; Y137-Y146 AromaticContact CD1-CZ 3.94Å; Y137-Y146 HydrophobicContact CD2-CD1 4.3Å; Y137-Y146 HydrophobicContact CD2-CE1 4.01Å; Y137-Y146 HydrophobicContact CG-CD1 4.16Å; Y137-Y146 HydrophobicContact CG-CD2 4.4Å; Y137-Y146 AromaticContact CG-CE1 3.82Å; Y137-Y146 HydrophobicContact CG-CE1 3.82Å; Y137-Y146 HydrophobicContact CG-CE2 4.08Å; Y137-Y146 HydrophobicContact CG-CG 4.43Å; Y137-Y146 AromaticContact CG-CZ 3.78Å; Y137-P161 HydrophobicContact CD1-CG 4.2Å; Y137-P161 HydrophobicContact CE1-CG 4.47Å; Y137-Y162 HydrophobicContact CD1-CD2 4.14Å; Y137-Y162 AromaticContact CE1-CD2 3.76Å; Y137-Y162 HydrophobicContact CE1-CD2 3.76Å; Y137-Y162 HydrophobicContact CE1-CG 4.22Å; Y137-Y162 HydrophobicContact CE2-CD2 4.3Å; Y137-Y162 AromaticContact CZ-CD2 3.82Å
138	L	97.8	Very high	98.1	Very high	114 Å²	114	23.7 Å²	23.7	60%	0.597	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.1	171.1	-60.6	178.5	0	0	0	112.4	D136 Y162	D136-L138 PolarHBondContact O-N 3.14Å; D136-L138 PolarHBondContact OD1-N 2.73Å; L138-Y162 HydrophobicContact CB-CE2 4.19Å; L138-Y162 HydrophobicContact CD1-CD2 4.47Å; L138-Y162 HydrophobicContact CD1-CE2 3.91Å; L138-Y162 HydrophobicContact CG-CE2 4.03Å
139	H	98.4	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-53.5	126.9	175	-170.6	-77.3	0	0	0	109.2	D136 D141 L142 A143 T335 D336 G339 N340	D136-H139 HydrophobicContact CB-CB 4.24Å; D136-H139 WeakPolarHBondContact O-CB 3.48Å; D136-H139 PolarHBondContact O-N 2.94Å; D136-H139 PolarHBondContact OD1-N 2.63Å; H139-D141 VanDerWaalsContact CE1-CB 3.4Å; H139-D141 WeakPolarHBondContact CE1-CB 3.35Å; H139-D141 WeakPolarHBondContact ND1-CB 3.26Å; H139-D141 PolarHBondContact ND1-N 3.46Å; H139-D141 PolarHBondContact O-N 3.04Å; H139-L142 HydrophobicContact CB-CB 4.13Å; H139-L142 HydrophobicContact CB-CD1 4.07Å; H139-L142 HydrophobicContact CB-CG 4.13Å; H139-L142 PolarHBondContact O-N 2.97Å; H139-A143 WeakPolarHBondContact O-CB 3.42Å; H139-A143 PolarHBondContact O-N 3.38Å; H139-T335 WeakPolarHBondContact CE1-CG2 3.43Å; H139-D336 PolarHBondContact CD2-O 2.85Å; H139-D336 PolarHBondContact NE2-O 2.78Å; H139-G339 WeakPolarHBondContact CD2-CA 3.47Å; H139-G339 WeakPolarHBondContact NE2-CA 3.34Å; H139-N340 PolarHBondContact NE2-O 3.11Å
140	P	98.3	Very high	98.1	Very high	68 Å²	68	30.4 Å²	30.4	44%	0.442	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.4	-174	-28.6	36.2	0	0	0	114.1	I189	P140-I189 HydrophobicContact CB-CD1 3.39Å; P140-I189 HydrophobicContact CB-CG2 4.31Å
141	D	98.5	Very high	98.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.5	179.4	-151.9	17.1	0	0	0	114.3	H139 A183 A184 N187 I189 C190 T335	H139-D141 VanDerWaalsContact CE1-CB 3.4Å; H139-D141 WeakPolarHBondContact CE1-CB 3.35Å; H139-D141 WeakPolarHBondContact ND1-CB 3.26Å; H139-D141 PolarHBondContact ND1-N 3.46Å; H139-D141 PolarHBondContact O-N 3.04Å; D141-A183 WeakPolarHBondContact O-CA 3.18Å; D141-A183 VanDerWaalsContact OD2-CB 3.29Å; D141-A183 WeakPolarHBondContact OD2-CB 3.32Å; D141-A184 PolarHBondContact O-N 3.05Å; D141-A184 PolarHBondContact OD1-N 3.25Å; D141-A184 VanDerWaalsContact OD1-N 3.12Å; D141-A184 VanDerWaalsContact OD1-O 3.09Å; D141-N187 PolarHBondContact OD1-ND2 2.99Å; D141-I189 HydrophobicContact CB-CB 4.43Å; D141-I189 HydrophobicContact CB-CG2 3.97Å; D141-C190 WeakPolarHBondContact OD2-CB 3.42Å; D141-T335 HydrophobicContact CB-CG2 3.73Å
142	L	98.8	Very high	98.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-28.8	178.6	-62.9	177.7	0	0	0	113	H139 S144 N145 Y146 T175 A178 T335	H139-L142 HydrophobicContact CB-CB 4.13Å; H139-L142 HydrophobicContact CB-CD1 4.07Å; H139-L142 HydrophobicContact CB-CG 4.13Å; H139-L142 PolarHBondContact O-N 2.97Å; L142-S144 PolarHBondContact O-N 3.13Å; L142-N145 CarbonylContact O-C 3.55Å; L142-N145 WeakPolarHBondContact O-CA 3.42Å; L142-N145 PolarHBondContact O-N 3.18Å; L142-Y146 PolarHBondContact O-N 2.93Å; L142-T175 HydrophobicContact CD1-CG2 4.22Å; L142-A178 HydrophobicContact CD1-CB 3.89Å; L142-A178 HydrophobicContact CD2-CB 4.17Å; L142-T335 HydrophobicContact CD2-CG2 4.47Å; L142-T335 HydrophobicContact CG-CG2 4.31Å
143	A	98.3	Very high	98.1	Very high	52 Å²	52	33.3 Å²	33.3	43%	0.43	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.7	-168.7	0	0	0	0	0	114.1	Y137 H139 N145	Y137-A143 WeakPolarHBondContact O-CA 3.38Å; H139-A143 WeakPolarHBondContact O-CB 3.42Å; H139-A143 PolarHBondContact O-N 3.38Å; A143-N145 VanDerWaalsContact C-N 3.33Å
144	S	97.8	Very high	98.1	Very high	72 Å²	72	34.8 Å²	34.8	50%	0.503	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-25.2	177.5	66.2	0	0	0	0	113.4	L142 K199	L142-S144 PolarHBondContact O-N 3.13Å; S144-K199 PolarHBondContact O-NZ 3.23Å
145	N	98.8	Very high	98	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.053	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-5.6	-178.8	-73.2	-22.2	0	0	0	113.4	L142 A143 N147 S182 Y196 S198 K199 V200	L142-N145 CarbonylContact O-C 3.55Å; L142-N145 WeakPolarHBondContact O-CA 3.42Å; L142-N145 PolarHBondContact O-N 3.18Å; A143-N145 VanDerWaalsContact C-N 3.33Å; N145-N147 PolarHBondContact O-N 2.85Å; N145-S182 PolarHBondContact ND2-O 3.3Å; N145-Y196 PolarHBondContact ND2-O 3.31Å; N145-S198 WeakPolarHBondContact CB-O 3.44Å; N145-S198 VanDerWaalsContact CG-O 3.28Å; N145-S198 PolarHBondContact OD1-O 3.33Å; N145-K199 CarbonylContact O-C 3.5Å; N145-K199 VanDerWaalsContact O-CA 3.24Å; N145-K199 WeakPolarHBondContact O-CA 3.43Å; N145-K199 VanDerWaalsContact O-CD 3.23Å; N145-K199 WeakPolarHBondContact O-CD 3.49Å; N145-V200 PolarHBondContact O-N 2.98Å
146	Y	98.8	Very high	97.8	Very high	42 Å²	42	39.3 Å²	39.3	17%	0.165	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-61.4	133.5	175.7	177.8	-125.1	0	0	0	112.7	I135 Y137 L142 A148 S151 V200	I135-Y146 HydrophobicContact CD1-CD2 3.73Å; I135-Y146 HydrophobicContact CD1-CE2 3.82Å; I135-Y146 HydrophobicContact CG1-CE2 4.43Å; Y137-Y146 VanDerWaalsContact CB-CD2 3.47Å; Y137-Y146 HydrophobicContact CD1-CE1 4.37Å; Y137-Y146 HydrophobicContact CD1-CE2 4.25Å; Y137-Y146 AromaticContact CD1-CZ 3.94Å; Y137-Y146 HydrophobicContact CD2-CD1 4.3Å; Y137-Y146 HydrophobicContact CD2-CE1 4.01Å; Y137-Y146 HydrophobicContact CG-CD1 4.16Å; Y137-Y146 HydrophobicContact CG-CD2 4.4Å; Y137-Y146 AromaticContact CG-CE1 3.82Å; Y137-Y146 HydrophobicContact CG-CE1 3.82Å; Y137-Y146 HydrophobicContact CG-CE2 4.08Å; Y137-Y146 HydrophobicContact CG-CG 4.43Å; Y137-Y146 AromaticContact CG-CZ 3.78Å; L142-Y146 PolarHBondContact O-N 2.93Å; Y146-A148 HydrophobicContact CD1-CB 4.19Å; Y146-A148 HydrophobicContact CE1-CB 3.53Å; Y146-S151 WeakPolarHBondContact CE2-OG 3.33Å; Y146-S151 VanDerWaalsContact OH-CB 3.3Å; Y146-S151 WeakPolarHBondContact OH-CB 3.44Å; Y146-V200 CarbonylContact C-O 3.54Å; Y146-V200 WeakPolarHBondContact CA-O 3.47Å
147	N	98.6	Very high	97.6	Very high	23 Å²	23	44.8 Å²	44.8	12%	0.123	26%	0.255	C	S	.	.			trans	-111.2	95.6	172.4	-173.8	-13.2	0	0	0	110.3	T127 N145 E149 A150 S151 K199 V200	T127-N147 HydrophobicContact CG2-CB 4.25Å; T127-N147 PolarHBondContact OG1-ND2 3Å; N145-N147 PolarHBondContact O-N 2.85Å; N147-E149 VanDerWaalsContact C-N 3.32Å; N147-E149 PolarHBondContact O-N 3.42Å; N147-E149 PolarHBondContact OD1-N 2.78Å; N147-A150 HydrophobicContact CB-CB 4.26Å; N147-A150 PolarHBondContact O-N 2.89Å; N147-A150 PolarHBondContact OD1-N 2.9Å; N147-S151 WeakPolarHBondContact O-CB 3.32Å; N147-S151 PolarHBondContact O-N 2.81Å; N147-S151 PolarHBondContact O-OG 2.8Å; N147-K199 HydrophobicContact CB-CB 4.05Å; N147-V200 PolarHBondContact N-O 3.36Å
148	A	98.4	Very high	97.6	Very high	59 Å²	59	45.3 Å²	45.3	49%	0.488	26%	0.261	S	S	.	.	S	Bend	trans	-65.2	-32.1	179.8	0	0	0	0	0	113.6	Y146 A150 S151	Y146-A148 HydrophobicContact CD1-CB 4.19Å; Y146-A148 HydrophobicContact CE1-CB 3.53Å; A148-A150 VanDerWaalsContact C-N 3.3Å; A148-A150 PolarHBondContact O-N 3.01Å; A148-S151 PolarHBondContact O-N 2.84Å
149	E	98.4	Very high	97.5	Very high	142 Å²	142	43 Å²	43	66%	0.664	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-31.5	-178.5	-174.6	-178.2	174.9	0	0	111.9	N147 M223 L226	N147-E149 VanDerWaalsContact C-N 3.32Å; N147-E149 PolarHBondContact O-N 3.42Å; N147-E149 PolarHBondContact OD1-N 2.78Å; E149-M223 HydrophobicContact CG-CE 4.31Å; E149-L226 HydrophobicContact CB-CD2 3.89Å; E149-L226 HydrophobicContact CG-CD2 3.63Å
150	A	98.3	Very high	97.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	0.8	178.4	0	0	0	0	0	113.8	T127 N147 A148 A201 H222 L226 I227	T127-A150 HydrophobicContact CG2-CB 4.01Å; N147-A150 HydrophobicContact CB-CB 4.26Å; N147-A150 PolarHBondContact O-N 2.89Å; N147-A150 PolarHBondContact OD1-N 2.9Å; A148-A150 VanDerWaalsContact C-N 3.3Å; A148-A150 PolarHBondContact O-N 3.01Å; A150-A201 HydrophobicContact CB-CB 3.56Å; A150-A201 WeakPolarHBondContact O-CB 3.29Å; A150-H222 PolarHBondContact O-CD2 3.09Å; A150-H222 VanDerWaalsContact O-CD2 3.23Å; A150-H222 PolarHBondContact O-NE2 2.86Å; A150-H222 VanDerWaalsContact O-NE2 3.16Å; A150-L226 HydrophobicContact CB-CD2 3.7Å; A150-L226 HydrophobicContact CB-CG 4.01Å; A150-I227 HydrophobicContact CB-CD1 4.22Å; A150-I227 HydrophobicContact CB-CG1 3.82Å
151	S	98.8	Very high	97.3	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.028	26%	0.259	C	S	.	.			trans	-104.9	145.9	-171	-68.6	0	0	0	0	112.3	Y146 N147 A148 A201 G202	Y146-S151 WeakPolarHBondContact CE2-OG 3.33Å; Y146-S151 VanDerWaalsContact OH-CB 3.3Å; Y146-S151 WeakPolarHBondContact OH-CB 3.44Å; N147-S151 WeakPolarHBondContact O-CB 3.32Å; N147-S151 PolarHBondContact O-N 2.81Å; N147-S151 PolarHBondContact O-OG 2.8Å; A148-S151 PolarHBondContact O-N 2.84Å; S151-A201 VanDerWaalsContact OG-CA 3.27Å; S151-A201 WeakPolarHBondContact OG-CA 3.13Å; S151-A201 WeakPolarHBondContact OG-CB 2.99Å; S151-G202 CarbonylContact C-O 3.22Å; S151-G202 VanDerWaalsContact CA-O 3.31Å; S151-G202 WeakPolarHBondContact CA-O 3.37Å; S151-G202 WeakPolarHBondContact CB-O 3.46Å; S151-G202 PolarHBondContact OG-N 2.99Å
152	Y	98.6	Very high	97.3	Very high	61 Å²	61	49.8 Å²	49.8	24%	0.239	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	148.1	178.3	-158.3	-98.3	0	0	0	112.9	F154 N157 G202 I203 R204 H222	Y152-F154 AromaticContact CD1-CD1 3.84Å; Y152-F154 HydrophobicContact CD1-CD1 3.84Å; Y152-F154 AromaticContact CD1-CD2 3.95Å; Y152-F154 HydrophobicContact CD1-CD2 3.95Å; Y152-F154 AromaticContact CD1-CE1 3.78Å; Y152-F154 HydrophobicContact CD1-CE1 3.78Å; Y152-F154 AromaticContact CD1-CE2 3.89Å; Y152-F154 HydrophobicContact CD1-CE2 3.89Å; Y152-F154 AromaticContact CD1-CG 3.93Å; Y152-F154 HydrophobicContact CD1-CG 3.93Å; Y152-F154 AromaticContact CD1-CZ 3.82Å; Y152-F154 HydrophobicContact CD1-CZ 3.82Å; Y152-F154 AromaticContact CE1-CD1 3.98Å; Y152-F154 HydrophobicContact CE1-CD1 3.98Å; Y152-F154 HydrophobicContact CE1-CE1 4.03Å; Y152-F154 HydrophobicContact CE1-CG 4.4Å; Y152-F154 HydrophobicContact CE1-CZ 4.5Å; Y152-F154 HydrophobicContact CG-CE2 4.46Å; Y152-F154 HydrophobicContact CG-CZ 4.47Å; Y152-N157 PolarHBondContact OH-OD1 3.31Å; Y152-G202 PolarHBondContact N-O 3.29Å; Y152-I203 CarbonylContact O-C 3.5Å; Y152-I203 WeakPolarHBondContact O-CA 3.07Å; Y152-R204 PolarHBondContact O-N 3.06Å; Y152-H222 VanDerWaalsContact CB-CE1 3.47Å; Y152-H222 WeakPolarHBondContact CB-CE1 3.48Å
153	D	97.9	Very high	97.1	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.011	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	102.9	172.3	-174.1	-10.3	0	0	0	110.2	S155 S156 N157 D158 R204	D153-S155 WeakPolarHBondContact OD1-CA 3.26Å; D153-S155 VanDerWaalsContact OD1-CB 3.27Å; D153-S155 WeakPolarHBondContact OD1-CB 3.47Å; D153-S155 PolarHBondContact OD1-N 2.87Å; D153-S156 PolarHBondContact OD1-N 3.47Å; D153-S156 WeakPolarHBondContact OD2-CB 3.39Å; D153-S156 PolarHBondContact OD2-OG 2.96Å; D153-N157 CarbonylContact O-C 3.59Å; D153-N157 WeakPolarHBondContact O-CA 3.34Å; D153-N157 PolarHBondContact O-N 3.2Å; D153-D158 WeakPolarHBondContact CA-O 3.36Å; D153-D158 WeakPolarHBondContact CB-O 3.3Å; D153-D158 PolarHBondContact N-O 2.82Å; D153-D158 PolarHBondContact O-N 3.21Å; D153-D158 VanDerWaalsContact O-N 3.11Å; D153-R204 HydrophobicContact CB-CB 4.25Å; D153-R204 IonicContact OD1-NH1 3.88Å; D153-R204 IonicContact OD2-CZ 3.26Å; D153-R204 IonicContact OD2-NH1 3.82Å; D153-R204 PolarHBondContact OD2-NH1 2.84Å
154	F	96.5	Very high	96.8	Very high	39 Å²	39	53.3 Å²	53.3	17%	0.171	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-19.8	173.9	-70.7	-77.3	0	0	0	113	Y152 I203 R204 M205 I215 S218 S219 H222	Y152-F154 AromaticContact CD1-CD1 3.84Å; Y152-F154 HydrophobicContact CD1-CD1 3.84Å; Y152-F154 AromaticContact CD1-CD2 3.95Å; Y152-F154 HydrophobicContact CD1-CD2 3.95Å; Y152-F154 AromaticContact CD1-CE1 3.78Å; Y152-F154 HydrophobicContact CD1-CE1 3.78Å; Y152-F154 AromaticContact CD1-CE2 3.89Å; Y152-F154 HydrophobicContact CD1-CE2 3.89Å; Y152-F154 AromaticContact CD1-CG 3.93Å; Y152-F154 HydrophobicContact CD1-CG 3.93Å; Y152-F154 AromaticContact CD1-CZ 3.82Å; Y152-F154 HydrophobicContact CD1-CZ 3.82Å; Y152-F154 AromaticContact CE1-CD1 3.98Å; Y152-F154 HydrophobicContact CE1-CD1 3.98Å; Y152-F154 HydrophobicContact CE1-CE1 4.03Å; Y152-F154 HydrophobicContact CE1-CG 4.4Å; Y152-F154 HydrophobicContact CE1-CZ 4.5Å; Y152-F154 HydrophobicContact CG-CE2 4.46Å; Y152-F154 HydrophobicContact CG-CZ 4.47Å; F154-I203 HydrophobicContact CD2-CG2 3.76Å; F154-I203 HydrophobicContact CE2-CG2 3.74Å; F154-R204 PolarHBondContact N-O 2.97Å; F154-M205 HydrophobicContact CB-CB 4.26Å; F154-I215 HydrophobicContact CB-CG2 3.98Å; F154-S218 VanDerWaalsContact CE1-CB 3.44Å; F154-S218 VanDerWaalsContact CZ-O 3.31Å; F154-S218 WeakPolarHBondContact CZ-O 3.48Å; F154-S219 WeakPolarHBondContact CD2-OG 3.31Å; F154-H222 HydrophobicContact CE2-CB 4.22Å; F154-H222 HydrophobicContact CZ-CB 4.22Å; F154-H222 AromaticContact CZ-ND1 3.85Å
155	S	94.1	Very high	96.2	Very high	33 Å²	33	56.5 Å²	56.5	23%	0.231	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-38.1	176.4	-59.4	0	0	0	0	112	D153 R204 D207	D153-S155 WeakPolarHBondContact OD1-CA 3.26Å; D153-S155 VanDerWaalsContact OD1-CB 3.27Å; D153-S155 WeakPolarHBondContact OD1-CB 3.47Å; D153-S155 PolarHBondContact OD1-N 2.87Å; S155-R204 PolarHBondContact N-O 2.54Å; S155-D207 WeakPolarHBondContact CB-O 3.35Å; S155-D207 PolarHBondContact OG-O 3.49Å
156	S	93.7	Very high	95.4	Very high	62 Å²	62	56.9 Å²	56.9	43%	0.434	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-10.2	178.2	-41.7	0	0	0	0	113.7	D153 D158 R204	D153-S156 PolarHBondContact OD1-N 3.47Å; D153-S156 WeakPolarHBondContact OD2-CB 3.39Å; D153-S156 PolarHBondContact OD2-OG 2.96Å; S156-D158 VanDerWaalsContact CB-OD2 3.25Å; S156-D158 WeakPolarHBondContact CB-OD2 3.28Å; S156-R204 PolarHBondContact OG-NH1 3.27Å
157	N	93.7	Very high	94.4	Very high	118 Å²	118	61.6 Å²	61.6	63%	0.631	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	55	-176.2	-171.1	46.3	0	0	0	113.6	Y152 D153	Y152-N157 PolarHBondContact OH-OD1 3.31Å; D153-N157 CarbonylContact O-C 3.59Å; D153-N157 WeakPolarHBondContact O-CA 3.34Å; D153-N157 PolarHBondContact O-N 3.2Å
158	D	96.4	Very high	93.4	Very high	51 Å²	51	65.9 Å²	65.9	27%	0.273	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-149.4	171.1	178.5	74.6	60	0	0	0	111.1	D153 S156 Y160	D153-D158 WeakPolarHBondContact CA-O 3.36Å; D153-D158 WeakPolarHBondContact CB-O 3.3Å; D153-D158 PolarHBondContact N-O 2.82Å; D153-D158 PolarHBondContact O-N 3.21Å; D153-D158 VanDerWaalsContact O-N 3.11Å; S156-D158 VanDerWaalsContact CB-OD2 3.25Å; S156-D158 WeakPolarHBondContact CB-OD2 3.28Å; D158-Y160 VanDerWaalsContact C-N 3.26Å; D158-Y160 PolarHBondContact O-N 3.13Å; D158-Y160 WeakPolarHBondContact OD1-CA 3.32Å; D158-Y160 VanDerWaalsContact OD1-CB 3.32Å; D158-Y160 WeakPolarHBondContact OD1-CB 3.5Å; D158-Y160 WeakPolarHBondContact OD1-CD2 3.36Å; D158-Y160 PolarHBondContact OD1-N 3.37Å
159	P	96.7	Very high	92.7	Very high	65 Å²	65	67 Å²	67	42%	0.422	32%	0.321	S	S	.	.	S	Bend	trans	-84	10.9	-174.4	34.7	-34.9	0	0	0	114.3	P161	P159-P161 WeakPolarHBondContact O-CD 3.37Å
160	Y	96.4	Very high	92	Very high	144 Å²	144	66.6 Å²	66.6	57%	0.565	32%	0.317	S	S	*	.			trans	-114.7	91.1	-173.5	-53	-70.7	0	0	0	110.9	D158 Y162	D158-Y160 VanDerWaalsContact C-N 3.26Å; D158-Y160 PolarHBondContact O-N 3.13Å; D158-Y160 WeakPolarHBondContact OD1-CA 3.32Å; D158-Y160 VanDerWaalsContact OD1-CB 3.32Å; D158-Y160 WeakPolarHBondContact OD1-CB 3.5Å; D158-Y160 WeakPolarHBondContact OD1-CD2 3.36Å; D158-Y160 PolarHBondContact OD1-N 3.37Å; Y160-Y162 PolarHBondContact O-N 2.84Å
161	P	96.9	Very high	91.6	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.317	C	S	.	.			trans	-76.1	33.8	-179.1	38.2	-42.8	0	0	0	112.7	G134 I135 Y137 P159 G202 R204	G134-P161 CarbonylContact C-O 3.57Å; G134-P161 WeakPolarHBondContact CA-O 3.18Å; I135-P161 HydrophobicContact CG1-CG 4.32Å; I135-P161 PolarHBondContact N-O 2.91Å; Y137-P161 HydrophobicContact CD1-CG 4.2Å; Y137-P161 HydrophobicContact CE1-CG 4.47Å; P159-P161 WeakPolarHBondContact O-CD 3.37Å; P161-G202 WeakPolarHBondContact CB-O 3.44Å; P161-G202 WeakPolarHBondContact CG-O 3.43Å; P161-R204 HydrophobicContact CB-CB 3.83Å
162	Y	96.9	Very high	91.4	Very high	67 Å²	67	66.7 Å²	66.7	26%	0.263	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-69.5	129.2	-179.6	-160.5	-89.6	0	0	0	109.4	D136 Y137 L138 Y160 R164	D136-Y162 HydrophobicContact CB-CE2 4.41Å; D136-Y162 WeakPolarHBondContact OD1-CE2 3.33Å; D136-Y162 PolarHBondContact OD1-OH 3.21Å; Y137-Y162 HydrophobicContact CD1-CD2 4.14Å; Y137-Y162 AromaticContact CE1-CD2 3.76Å; Y137-Y162 HydrophobicContact CE1-CD2 3.76Å; Y137-Y162 HydrophobicContact CE1-CG 4.22Å; Y137-Y162 HydrophobicContact CE2-CD2 4.3Å; Y137-Y162 AromaticContact CZ-CD2 3.82Å; L138-Y162 HydrophobicContact CB-CE2 4.19Å; L138-Y162 HydrophobicContact CD1-CD2 4.47Å; L138-Y162 HydrophobicContact CD1-CE2 3.91Å; L138-Y162 HydrophobicContact CG-CE2 4.03Å; Y160-Y162 PolarHBondContact O-N 2.84Å; Y162-R164 PolarHBondContact O-N 3.18Å
163	P	95.3	Very high	91.4	Very high	2 Å²	2	66 Å²	66	1%	0.013	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-57	130.8	178.4	-29.3	36.2	0	0	0	111.5	I135 Y165 N171 L337	I135-P163 VanDerWaalsContact O-CD 3.25Å; I135-P163 WeakPolarHBondContact O-CD 3.31Å; P163-Y165 PolarHBondContact O-N 3.39Å; P163-N171 HydrophobicContact CB-CB 3.96Å; P163-N171 WeakPolarHBondContact CB-O 3.47Å; P163-L337 HydrophobicContact CB-CD2 3.75Å; P163-L337 HydrophobicContact CG-CD2 3.63Å
164	R	91.9	Very high	91.4	Very high	123 Å²	123	65.9 Å²	65.9	46%	0.464	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-67.2	132.1	172.5	179.1	177.7	58.9	79.7	-2.2	109	Y162 T166 N171 D207	Y162-R164 PolarHBondContact O-N 3.18Å; R164-T166 PolarHBondContact O-N 2.66Å; R164-N171 PolarHBondContact O-ND2 3.03Å; R164-D207 WeakPolarHBondContact CB-OD2 3.47Å; R164-D207 IonicContact CZ-OD1 3.69Å; R164-D207 IonicContact CZ-OD2 3.09Å; R164-D207 IonicContact NE-OD1 3.49Å; R164-D207 IonicContact NE-OD2 2.58Å; R164-D207 PolarHBondContact NE-OD2 3.31Å; R164-D207 IonicContact NH2-OD1 3.23Å; R164-D207 PolarHBondContact NH2-OD1 2.88Å; R164-D207 IonicContact NH2-OD2 3.64Å; R164-D207 PolarHBondContact NH2-OD2 3.37Å
165	Y	85.9	Confident	91.5	Very high	140 Å²	140	64 Å²	64	55%	0.549	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-60.5	131.1	177.2	-179.6	-83.9	0	0	0	111.7	P163 D167 Y338	P163-Y165 PolarHBondContact O-N 3.39Å; Y165-D167 WeakPolarHBondContact CE1-OD1 3.13Å; Y165-D167 PolarHBondContact OH-OD1 3.17Å; Y165-Y338 WeakPolarHBondContact CA-OH 3.19Å; Y165-Y338 HydrophobicContact CD2-CE1 4.08Å; Y165-Y338 HydrophobicContact CD2-CE2 4.05Å; Y165-Y338 AromaticContact CD2-CZ 3.49Å; Y165-Y338 VanDerWaalsContact CD2-CZ 3.49Å; Y165-Y338 WeakPolarHBondContact CD2-OH 3.5Å; Y165-Y338 HydrophobicContact CE2-CE2 4.11Å
166	T	81.9	Confident	91.7	Very high	17 Å²	17	64.7 Å²	64.7	10%	0.104	31%	0.305	C	S	.	.			trans	-136.6	149.4	168.6	71.4	0	0	0	0	109.8	R164 D168 W169 F170	R164-T166 PolarHBondContact O-N 2.66Å; T166-D168 WeakPolarHBondContact CB-OD1 3.16Å; T166-D168 PolarHBondContact O-N 2.85Å; T166-D168 PolarHBondContact OG1-OD1 2.94Å; T166-W169 PolarHBondContact OG1-N 2.92Å; T166-F170 HydrophobicContact CG2-CB 4.36Å; T166-F170 WeakPolarHBondContact OG1-CB 3.46Å; T166-F170 PolarHBondContact OG1-N 2.65Å; T166-F170 VanDerWaalsContact OG1-N 3.07Å
167	D	76.2	Confident	91.9	Very high	142 Å²	142	61.8 Å²	61.8	76%	0.759	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.9	-177.9	-68.9	-37.1	0	0	0	113.6	Y165	Y165-D167 WeakPolarHBondContact CE1-OD1 3.13Å; Y165-D167 PolarHBondContact OH-OD1 3.17Å
168	D	78.3	Confident	92.2	Very high	113 Å²	113	56.2 Å²	56.2	60%	0.604	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	8	-174.8	63.8	-13.9	0	0	0	114	T166 F170	T166-D168 WeakPolarHBondContact CB-OD1 3.16Å; T166-D168 PolarHBondContact O-N 2.85Å; T166-D168 PolarHBondContact OG1-OD1 2.94Å; D168-F170 PolarHBondContact O-N 2.93Å; D168-F170 VanDerWaalsContact OD1-CB 3.28Å; D168-F170 WeakPolarHBondContact OD1-CB 3.45Å; D168-F170 PolarHBondContact OD1-N 3.4Å
169	W	82.9	Confident	92.3	Very high	82 Å²	82	53.8 Å²	53.8	31%	0.311	24%	0.242	S	C	.	.			trans	60.2	25.3	-178.6	-106.5	-115.5	0	0	0	113.6	T166 N171 S172 L337 Y338	T166-W169 PolarHBondContact OG1-N 2.92Å; W169-N171 VanDerWaalsContact C-N 3.27Å; W169-N171 PolarHBondContact O-N 3.39Å; W169-S172 VanDerWaalsContact O-CB 3.25Å; W169-S172 WeakPolarHBondContact O-CB 3.4Å; W169-S172 PolarHBondContact O-N 3.13Å; W169-S172 VanDerWaalsContact O-N 3.16Å; W169-S172 PolarHBondContact O-OG 3.24Å; W169-L337 HydrophobicContact CG-CD1 4.23Å; W169-Y338 HydrophobicContact CD2-CE2 4.3Å; W169-Y338 AromaticContact CE2-CE2 3.89Å; W169-Y338 HydrophobicContact CE3-CE2 4.32Å; W169-Y338 AromaticContact CH2-CD2 3.57Å; W169-Y338 HydrophobicContact CH2-CD2 3.57Å; W169-Y338 AromaticContact CH2-CE2 3.58Å; W169-Y338 HydrophobicContact CH2-CE2 3.58Å; W169-Y338 AromaticContact CZ2-CD2 3.35Å; W169-Y338 HydrophobicContact CZ2-CD2 3.35Å; W169-Y338 AromaticContact CZ2-CE2 3.56Å; W169-Y338 HydrophobicContact CZ2-CE2 3.56Å; W169-Y338 HydrophobicContact CZ3-CD2 4.41Å; W169-Y338 AromaticContact CZ3-CE2 3.97Å; W169-Y338 HydrophobicContact CZ3-CE2 3.97Å
170	F	83.8	Confident	92.4	Very high	133 Å²	133	50.7 Å²	50.7	58%	0.583	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-53.2	-44.3	-177.4	-175.9	-101.9	0	0	0	112.4	T166 D168 S172	T166-F170 HydrophobicContact CG2-CB 4.36Å; T166-F170 WeakPolarHBondContact OG1-CB 3.46Å; T166-F170 PolarHBondContact OG1-N 2.65Å; T166-F170 VanDerWaalsContact OG1-N 3.07Å; D168-F170 PolarHBondContact O-N 2.93Å; D168-F170 VanDerWaalsContact OD1-CB 3.28Å; D168-F170 WeakPolarHBondContact OD1-CB 3.45Å; D168-F170 PolarHBondContact OD1-N 3.4Å; F170-S172 VanDerWaalsContact C-N 3.28Å; F170-S172 PolarHBondContact O-N 2.62Å
171	N	91.8	Very high	92.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-89.6	34	-178.2	-63.5	-40.6	0	0	0	113.7	D133 P163 R164 W169 D207	D133-N171 HydrophobicContact CB-CB 4.19Å; D133-N171 VanDerWaalsContact CG-C 3.47Å; D133-N171 WeakPolarHBondContact OD2-CA 3.45Å; P163-N171 HydrophobicContact CB-CB 3.96Å; P163-N171 WeakPolarHBondContact CB-O 3.47Å; R164-N171 PolarHBondContact O-ND2 3.03Å; W169-N171 VanDerWaalsContact C-N 3.27Å; W169-N171 PolarHBondContact O-N 3.39Å; N171-D207 PolarHBondContact ND2-OD2 2.98Å
172	S	94.7	Very high	92.6	Very high	7 Å²	7	43.8 Å²	43.8	5%	0.049	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-90.9	-9	-178.5	57.9	0	0	0	0	114.1	D133 W169 F170 T175 R176 D336	D133-S172 PolarHBondContact OD2-N 3.25Å; W169-S172 VanDerWaalsContact O-CB 3.25Å; W169-S172 WeakPolarHBondContact O-CB 3.4Å; W169-S172 PolarHBondContact O-N 3.13Å; W169-S172 VanDerWaalsContact O-N 3.16Å; W169-S172 PolarHBondContact O-OG 3.24Å; F170-S172 VanDerWaalsContact C-N 3.28Å; F170-S172 PolarHBondContact O-N 2.62Å; S172-T175 PolarHBondContact O-N 2.92Å; S172-R176 WeakPolarHBondContact O-CG 3.49Å; S172-R176 PolarHBondContact O-N 3.14Å; S172-D336 WeakPolarHBondContact CB-OD1 3.46Å
173	H	96.9	Very high	92.6	Very high	45 Å²	45	40.7 Å²	40.7	21%	0.208	18%	0.183	C	C	.	.	H	α-helix	trans	-69.7	-50.1	-163.1	-172.8	-91.6	0	0	0	112	D132 D133 T175 R176 C177 H345 S349	D132-H173 WeakPolarHBondContact OD1-CB 3.38Å; D132-H173 IonicContact OD1-CG 3.08Å; D132-H173 IonicContact OD1-ND1 3.59Å; D132-H173 PolarHBondContact OD1-ND1 3.38Å; D132-H173 IonicContact OD2-CE1 2.71Å; D132-H173 PolarHBondContact OD2-CE1 3.13Å; D132-H173 IonicContact OD2-CG 3.23Å; D132-H173 IonicContact OD2-ND1 2.53Å; D132-H173 PolarHBondContact OD2-ND1 2.96Å; D133-H173 PolarHBondContact OD1-N 2.92Å; D133-H173 WeakPolarHBondContact OD2-CB 3.36Å; D133-H173 PolarHBondContact OD2-N 2.87Å; H173-T175 VanDerWaalsContact C-N 3.29Å; H173-T175 PolarHBondContact O-N 2.94Å; H173-R176 WeakPolarHBondContact O-CB 3.34Å; H173-R176 PolarHBondContact O-N 3.05Å; H173-R176 VanDerWaalsContact O-N 3.12Å; H173-C177 VanDerWaalsContact CE1-SG 3.53Å; H173-C177 PolarHBondContact O-N 2.88Å; H173-C177 PolarHBondContact O-SG 3.45Å; H173-H345 AromaticContact CD2-CE1 3.87Å; H173-H345 AromaticContact NE2-CE1 3.69Å; H173-S349 WeakPolarHBondContact NE2-CB 3.26Å
174	G	98.1	Very high	92.8	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-32.8	178.5	0	0	0	0	0	113.2	D132 D133 G134 C177 A178	D132-G174 PolarHBondContact OD1-N 3Å; D132-G174 VanDerWaalsContact OD1-N 3.09Å; D133-G174 WeakPolarHBondContact OD1-CA 3.31Å; D133-G174 PolarHBondContact OD1-N 3.38Å; G134-G174 CarbonylContact O-C 3.53Å; G134-G174 VanDerWaalsContact O-CA 3.29Å; G134-G174 WeakPolarHBondContact O-CA 3.34Å; G174-C177 PolarHBondContact O-N 2.77Å; G174-A178 VanDerWaalsContact O-CB 3.3Å; G174-A178 WeakPolarHBondContact O-CB 3.37Å; G174-A178 PolarHBondContact O-N 3.02Å
175	T	98.6	Very high	93.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.4	-36.9	174.9	-60.1	0	0	0	0	112	G134 D136 L142 S172 H173 G179 T335 L337	G134-T175 PolarHBondContact O-N 2.97Å; D136-T175 HydrophobicContact CB-CG2 3.77Å; D136-T175 PolarHBondContact N-OG1 2.91Å; L142-T175 HydrophobicContact CD1-CG2 4.22Å; S172-T175 PolarHBondContact O-N 2.92Å; H173-T175 VanDerWaalsContact C-N 3.29Å; H173-T175 PolarHBondContact O-N 2.94Å; T175-G179 PolarHBondContact O-N 3.3Å; T175-T335 PolarHBondContact O-OG1 2.82Å; T175-L337 HydrophobicContact CG2-CD2 4.41Å; T175-L337 WeakPolarHBondContact OG1-CD2 3.49Å
176	R	98.5	Very high	93.6	Very high	47 Å²	47	33.5 Å²	33.5	18%	0.177	17%	0.168	C	C	.	.	H	α-helix	trans	-68.3	-46.1	175.6	-70.8	166	-179.1	-177.1	-0.2	111.2	S172 H173 A178 G179 E180 T334 T335 D336 T342 H345	S172-R176 WeakPolarHBondContact O-CG 3.49Å; S172-R176 PolarHBondContact O-N 3.14Å; H173-R176 WeakPolarHBondContact O-CB 3.34Å; H173-R176 PolarHBondContact O-N 3.05Å; H173-R176 VanDerWaalsContact O-N 3.12Å; R176-A178 VanDerWaalsContact C-N 3.33Å; R176-A178 PolarHBondContact O-N 3.11Å; R176-G179 PolarHBondContact O-N 2.88Å; R176-E180 PolarHBondContact O-N 3.08Å; R176-T334 HydrophobicContact CB-CG2 3.73Å; R176-T334 HydrophobicContact CG-CG2 4.04Å; R176-T334 PolarHBondContact O-OG1 3.01Å; R176-T335 WeakPolarHBondContact CA-O 3.34Å; R176-T335 WeakPolarHBondContact CG-O 3.33Å; R176-D336 IonicContact CZ-OD1 3.99Å; R176-D336 IonicContact CZ-OD2 3.63Å; R176-D336 IonicContact NE-OD1 3.43Å; R176-D336 PolarHBondContact NE-OD1 2.87Å; R176-D336 IonicContact NE-OD2 3.72Å; R176-D336 IonicContact NH2-OD1 2.91Å; R176-D336 PolarHBondContact NH2-OD1 3.13Å; R176-D336 IonicContact NH2-OD2 2.74Å; R176-D336 PolarHBondContact NH2-OD2 2.94Å; R176-T342 HydrophobicContact CG-CG2 4.02Å; R176-H345 HydrophobicContact CB-CB 4.48Å
177	C	98.7	Very high	94.3	Very high	2 Å²	2	35 Å²	35	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-57.5	-44.7	174.5	-65.8	0	0	0	0	111.8	I130 H173 G174 G179 E180 V181 P353	I130-C177 HydrophobicContact CG2-CB 3.95Å; H173-C177 VanDerWaalsContact CE1-SG 3.53Å; H173-C177 PolarHBondContact O-N 2.88Å; H173-C177 PolarHBondContact O-SG 3.45Å; G174-C177 PolarHBondContact O-N 2.77Å; C177-G179 VanDerWaalsContact C-N 3.3Å; C177-G179 PolarHBondContact O-N 2.75Å; C177-E180 WeakPolarHBondContact CA-OE1 3.07Å; C177-E180 PolarHBondContact O-N 2.94Å; C177-V181 PolarHBondContact O-N 3.04Å; C177-P353 HydrophobicContact CB-CB 4.22Å; C177-P353 HydrophobicContact CB-CG 3.56Å
178	A	98.8	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-37.6	179.1	0	0	0	0	0	112.8	I130 I135 L142 G174 R176 V181 S182 V200	I130-A178 HydrophobicContact CG1-CB 4.2Å; I135-A178 HydrophobicContact CG2-CB 4.09Å; L142-A178 HydrophobicContact CD1-CB 3.89Å; L142-A178 HydrophobicContact CD2-CB 4.17Å; G174-A178 VanDerWaalsContact O-CB 3.3Å; G174-A178 WeakPolarHBondContact O-CB 3.37Å; G174-A178 PolarHBondContact O-N 3.02Å; R176-A178 VanDerWaalsContact C-N 3.33Å; R176-A178 PolarHBondContact O-N 3.11Å; A178-V181 PolarHBondContact O-N 3.31Å; A178-S182 PolarHBondContact O-N 2.93Å; A178-V200 HydrophobicContact CB-CG2 3.9Å
179	G	98.8	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.5	-39.5	177.5	0	0	0	0	0	113.6	T175 R176 C177 V181 A183 G193 T334 T335	T175-G179 PolarHBondContact O-N 3.3Å; R176-G179 PolarHBondContact O-N 2.88Å; C177-G179 VanDerWaalsContact C-N 3.3Å; C177-G179 PolarHBondContact O-N 2.75Å; G179-V181 PolarHBondContact O-N 3.02Å; G179-A183 WeakPolarHBondContact O-CB 3.3Å; G179-A183 PolarHBondContact O-N 3.24Å; G179-G193 WeakPolarHBondContact O-CA 3.31Å; G179-T334 VanDerWaalsContact C-OG1 3.3Å; G179-T334 VanDerWaalsContact CA-OG1 3.3Å; G179-T334 WeakPolarHBondContact CA-OG1 3.27Å; G179-T335 WeakPolarHBondContact CA-OG1 3.15Å; G179-T335 PolarHBondContact N-OG1 2.74Å
180	E	98.8	Very high	97	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-34	178	-68.4	169.4	-79.3	0	0	111.7	R176 C177 G193 V194 V332 T334 H345 A350 P353	R176-E180 PolarHBondContact O-N 3.08Å; C177-E180 WeakPolarHBondContact CA-OE1 3.07Å; C177-E180 PolarHBondContact O-N 2.94Å; E180-G193 CarbonylContact O-C 3.52Å; E180-G193 WeakPolarHBondContact O-CA 3.37Å; E180-V194 PolarHBondContact O-N 3.06Å; E180-V332 HydrophobicContact CG-CG1 3.82Å; E180-V332 WeakPolarHBondContact OE2-CG1 3.27Å; E180-T334 HydrophobicContact CG-CG2 4.31Å; E180-T334 PolarHBondContact N-OG1 3.33Å; E180-T334 VanDerWaalsContact N-OG1 3.14Å; E180-H345 IonicContact OE1-CD2 3.77Å; E180-H345 PolarHBondContact OE1-CD2 3.18Å; E180-H345 IonicContact OE1-NE2 3.62Å; E180-H345 PolarHBondContact OE1-NE2 3.47Å; E180-H345 IonicContact OE2-CD2 2.69Å; E180-A350 WeakPolarHBondContact OE2-CA 3.26Å; E180-A350 WeakPolarHBondContact OE2-CB 3.44Å; E180-P353 HydrophobicContact CB-CB 3.96Å
181	V	98.6	Very high	97.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-82.2	-54.9	177.9	-172.3	0	0	0	0	111.3	I128 I130 C177 A178 G179 G193 V194 A195 P353 A356	I128-V181 HydrophobicContact CB-CG1 4.14Å; I128-V181 HydrophobicContact CD1-CG1 3.77Å; I128-V181 HydrophobicContact CG1-CG1 3.83Å; I128-V181 HydrophobicContact CG2-CG1 4.3Å; I130-V181 HydrophobicContact CD1-CG2 4.25Å; C177-V181 PolarHBondContact O-N 3.04Å; A178-V181 PolarHBondContact O-N 3.31Å; G179-V181 PolarHBondContact O-N 3.02Å; V181-G193 CarbonylContact O-C 3.48Å; V181-G193 WeakPolarHBondContact O-CA 3.46Å; V181-V194 PolarHBondContact O-N 3.16Å; V181-A195 CarbonylContact O-C 3.22Å; V181-A195 WeakPolarHBondContact O-CA 3.47Å; V181-A195 PolarHBondContact O-N 3.21Å; V181-P353 HydrophobicContact CG2-CB 3.9Å; V181-P353 WeakPolarHBondContact CG2-O 3.49Å; V181-A356 HydrophobicContact CG2-CB 4.42Å
182	S	98.6	Very high	98	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-131.3	14.8	-156.8	-61.7	0	0	0	0	115	N145 A178 A184 S198	N145-S182 PolarHBondContact ND2-O 3.3Å; A178-S182 PolarHBondContact O-N 2.93Å; S182-A184 PolarHBondContact O-N 3.46Å; S182-S198 PolarHBondContact OG-OG 2.82Å
183	A	98.8	Very high	98.2	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.017	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-54.3	132.3	167.5	0	0	0	0	0	110.1	D141 G179 G193 Y196 T335	D141-A183 WeakPolarHBondContact O-CA 3.18Å; D141-A183 VanDerWaalsContact OD2-CB 3.29Å; D141-A183 WeakPolarHBondContact OD2-CB 3.32Å; G179-A183 WeakPolarHBondContact O-CB 3.3Å; G179-A183 PolarHBondContact O-N 3.24Å; A183-G193 PolarHBondContact O-N 3.25Å; A183-Y196 WeakPolarHBondContact O-CA 3.32Å; A183-Y196 WeakPolarHBondContact O-CB 3.46Å; A183-T335 HydrophobicContact CB-CG2 4.29Å
184	A	98.5	Very high	98.2	Very high	9 Å²	9	17.7 Å²	17.7	7%	0.074	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-71.1	142.1	-174.5	0	0	0	0	0	110.8	D141 S182	D141-A184 PolarHBondContact O-N 3.05Å; D141-A184 PolarHBondContact OD1-N 3.25Å; D141-A184 VanDerWaalsContact OD1-N 3.12Å; D141-A184 VanDerWaalsContact OD1-O 3.09Å; S182-A184 PolarHBondContact O-N 3.46Å
185	A	97.6	Very high	98.3	Very high	24 Å²	24	17.7 Å²	17.7	20%	0.198	10%	0.096	C	C	.	.	S	Bend	trans	-88.3	152.9	177.3	0	0	0	0	0	112	M86 N187 V192 Y196	M86-A185 HydrophobicContact CE-CB 4.35Å; M86-A185 HydrophobicContact SD-CB 4.23Å; A185-N187 VanDerWaalsContact C-N 3.33Å; A185-N187 PolarHBondContact O-N 3.13Å; A185-V192 HydrophobicContact CB-CG1 3.74Å; A185-V192 HydrophobicContact CB-CG2 4.27Å; A185-Y196 HydrophobicContact CB-CD1 4.19Å; A185-Y196 HydrophobicContact CB-CD2 3.61Å; A185-Y196 HydrophobicContact CB-CE2 4.05Å; A185-Y196 HydrophobicContact CB-CG 3.68Å
186	N	96.6	Very high	98.3	Very high	81 Å²	81	19.2 Å²	19.2	43%	0.433	10%	0.102	S	C	.	.	S	Bend	trans	61.4	31.9	170.5	-64.8	-63.8	0	0	0	115.2	M86 N87 D88	M86-N186 WeakPolarHBondContact CA-OD1 3.3Å; M86-N186 PolarHBondContact SD-ND2 2.93Å; N87-N186 PolarHBondContact N-OD1 2.71Å; N87-N186 PolarHBondContact ND2-O 3.44Å; N87-N186 WeakPolarHBondContact OD1-CA 3.38Å; D88-N186 PolarHBondContact OD1-N 3.35Å; D88-N186 WeakPolarHBondContact OD2-CA 3.39Å; D88-N186 PolarHBondContact OD2-N 2.92Å
187	N	97.1	Very high	98.3	Very high	47 Å²	47	20.6 Å²	20.6	25%	0.251	11%	0.113	S	C	.	.	S	Bend	trans	-107	-0.7	-179.4	69.1	10.2	0	0	0	113.2	N87 D88 D141 A185 I189	N87-N187 PolarHBondContact OD1-N 3.29Å; D88-N187 PolarHBondContact OD1-N 3.5Å; D88-N187 PolarHBondContact OD1-OD1 2.84Å; D141-N187 PolarHBondContact OD1-ND2 2.99Å; A185-N187 VanDerWaalsContact C-N 3.33Å; A185-N187 PolarHBondContact O-N 3.13Å; N187-I189 VanDerWaalsContact C-N 3.3Å; N187-I189 WeakPolarHBondContact OD1-CA 3.36Å; N187-I189 VanDerWaalsContact OD1-CB 3.24Å; N187-I189 WeakPolarHBondContact OD1-CB 3.32Å; N187-I189 PolarHBondContact OD1-N 3.41Å; N187-I189 PolarHBondContact OD1-O 3.43Å
188	N	97.4	Very high	98.3	Very high	105 Å²	105	20.5 Å²	20.5	56%	0.561	11%	0.112	S	C	*	.	S	Bend	trans	63.4	27.1	-173.7	-54.2	-71.6	0	0	0	114.1	N87 D88	N87-N188 WeakPolarHBondContact CB-OD1 3.39Å; N87-N188 PolarHBondContact O-OD1 3.08Å; N87-N188 PolarHBondContact OD1-N 2.68Å; N87-N188 PolarHBondContact OD1-OD1 3.08Å; D88-N188 PolarHBondContact OD1-N 3.46Å; D88-N188 VanDerWaalsContact OD1-N 3.16Å
189	I	97.9	Very high	98.3	Very high	51 Å²	51	24 Å²	24	26%	0.262	13%	0.127	S	C	.	.	S	Bend	trans	-124.2	136.7	-178.4	-51.5	-177.6	0	0	0	107.9	P140 D141 N187 G191	P140-I189 HydrophobicContact CB-CD1 3.39Å; P140-I189 HydrophobicContact CB-CG2 4.31Å; D141-I189 HydrophobicContact CB-CB 4.43Å; D141-I189 HydrophobicContact CB-CG2 3.97Å; N187-I189 VanDerWaalsContact C-N 3.3Å; N187-I189 WeakPolarHBondContact OD1-CA 3.36Å; N187-I189 VanDerWaalsContact OD1-CB 3.24Å; N187-I189 WeakPolarHBondContact OD1-CB 3.32Å; N187-I189 PolarHBondContact OD1-N 3.41Å; N187-I189 PolarHBondContact OD1-O 3.43Å; I189-G191 PolarHBondContact O-N 3.39Å; I189-G191 VanDerWaalsContact O-N 3.07Å
190	C	98.1	Very high	98.3	Very high	3 Å²	3	24 Å²	24	2%	0.02	13%	0.127	C	C	.	.	S	Bend	trans	39.3	-114.7	177.9	-57	0	0	0	0	113.8	D88 P89 L90 D141 T335 C341	D88-C190 CarbonylContact C-O 3.52Å; P89-C190 WeakPolarHBondContact CD-O 3.39Å; L90-C190 WeakPolarHBondContact CA-O 3.45Å; L90-C190 WeakPolarHBondContact CB-O 3.22Å; L90-C190 HydrophobicContact CD1-CB 4.37Å; L90-C190 WeakPolarHBondContact CG-O 3.46Å; L90-C190 PolarHBondContact N-O 2.87Å; D141-C190 WeakPolarHBondContact OD2-CB 3.42Å; C190-T335 HydrophobicContact CB-CG2 4.49Å; C190-C341 WeakPolarHBondContact CA-SG 3.27Å; C190-C341 HydrophobicContact CB-CB 3.74Å; C190-C341 WeakPolarHBondContact CB-SG 3.21Å; C190-C341 WeakPolarHBondContact SG-CB 3.35Å; C190-C341 CovalentContact SG-SG 2.02Å; C190-C341 PolarHBondContact SG-SG 2.85Å
191	G	97.8	Very high	98.3	Very high	1 Å²	1	24 Å²	24	1%	0.01	13%	0.127	C	C	.	.			trans	-134.7	-148.5	-174.9	0	0	0	0	0	110.7	I189	I189-G191 PolarHBondContact O-N 3.39Å; I189-G191 VanDerWaalsContact O-N 3.07Å
192	V	98.5	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.			trans	-133.8	134.1	-175.4	-176.8	0	0	0	0	110.4	M86 D88 F91 Q94 L97 W117 A185 Y196	M86-V192 HydrophobicContact CB-CG2 4.02Å; M86-V192 HydrophobicContact CG-CG2 4.08Å; D88-V192 HydrophobicContact CB-CG2 3.98Å; D88-V192 VanDerWaalsContact OD2-CG2 3.29Å; D88-V192 WeakPolarHBondContact OD2-CG2 3.49Å; F91-V192 HydrophobicContact CD2-CB 4.14Å; F91-V192 HydrophobicContact CD2-CG2 3.86Å; F91-V192 HydrophobicContact CG-CG2 4.46Å; Q94-V192 PolarHBondContact NE2-O 2.81Å; L97-V192 WeakPolarHBondContact CD1-O 3.07Å; W117-V192 HydrophobicContact CH2-CG1 4.29Å; W117-V192 HydrophobicContact CZ2-CG1 4.49Å; A185-V192 HydrophobicContact CB-CG1 3.74Å; A185-V192 HydrophobicContact CB-CG2 4.27Å; V192-Y196 HydrophobicContact CG1-CD1 3.64Å; V192-Y196 HydrophobicContact CG1-CE1 4.49Å; V192-Y196 HydrophobicContact CG1-CG 3.97Å
193	G	98.7	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.			trans	-71.6	151.2	173.8	0	0	0	0	0	111.5	G179 E180 V181 A183 A195 Y196	G179-G193 WeakPolarHBondContact O-CA 3.31Å; E180-G193 CarbonylContact O-C 3.52Å; E180-G193 WeakPolarHBondContact O-CA 3.37Å; V181-G193 CarbonylContact O-C 3.48Å; V181-G193 WeakPolarHBondContact O-CA 3.46Å; A183-G193 PolarHBondContact O-N 3.25Å; G193-A195 PolarHBondContact O-N 3.21Å; G193-Y196 PolarHBondContact O-N 3.49Å
194	V	98.8	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-40.7	172.7	171.9	0	0	0	0	110.9	L97 L111 V113 W117 E180 V181 V358 L361	L97-V194 HydrophobicContact CD2-CB 4.47Å; L97-V194 HydrophobicContact CD2-CG2 3.59Å; L111-V194 HydrophobicContact CD1-CG2 3.97Å; V113-V194 HydrophobicContact CG1-CG1 3.81Å; W117-V194 PolarHBondContact NE1-O 3.38Å; E180-V194 PolarHBondContact O-N 3.06Å; V181-V194 PolarHBondContact O-N 3.16Å; V194-V358 HydrophobicContact CG1-CG2 4.03Å; V194-L361 HydrophobicContact CG1-CD1 4.1Å
195	A	98.8	Very high	98.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	60.2	179.8	0	0	0	0	0	110.3	T122 V181 G193 N197 S198 A360 L361	T122-A195 CarbonylContact O-C 3.53Å; T122-A195 VanDerWaalsContact O-CA 3.28Å; T122-A195 WeakPolarHBondContact O-CA 3.17Å; V181-A195 CarbonylContact O-C 3.22Å; V181-A195 WeakPolarHBondContact O-CA 3.47Å; V181-A195 PolarHBondContact O-N 3.21Å; G193-A195 PolarHBondContact O-N 3.21Å; A195-N197 PolarHBondContact O-N 3Å; A195-S198 WeakPolarHBondContact CB-OG 3.49Å; A195-S198 VanDerWaalsContact O-CB 3.28Å; A195-S198 WeakPolarHBondContact O-CB 3.25Å; A195-S198 PolarHBondContact O-N 2.89Å; A195-S198 PolarHBondContact O-OG 3.09Å; A195-A360 HydrophobicContact CB-CB 3.87Å; A195-L361 HydrophobicContact CB-CD2 4.06Å
196	Y	98.8	Very high	98	Very high	32 Å²	32	25.6 Å²	25.6	13%	0.125	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-7.6	-170.9	59.4	-103.1	0	0	0	117.2	M86 W117 T122 N145 A183 A185 V192 G193	M86-Y196 HydrophobicContact CE-CE1 3.99Å; W117-Y196 AromaticContact CD1-CE1 3.87Å; W117-Y196 AromaticContact CD2-CE1 3.8Å; W117-Y196 HydrophobicContact CD2-CE1 3.8Å; W117-Y196 AromaticContact CE2-CD1 3.93Å; W117-Y196 AromaticContact CE2-CE1 3.58Å; W117-Y196 HydrophobicContact CE3-CE1 4.44Å; W117-Y196 AromaticContact CG-CE1 3.97Å; W117-Y196 HydrophobicContact CG-CE1 3.97Å; W117-Y196 AromaticContact CZ2-CD1 3.98Å; W117-Y196 HydrophobicContact CZ2-CD1 3.98Å; W117-Y196 HydrophobicContact CZ2-CE1 4.03Å; W117-Y196 AromaticContact NE1-CD1 3.99Å; W117-Y196 AromaticContact NE1-CE1 3.62Å; T122-Y196 HydrophobicContact CG2-CE1 4.05Å; T122-Y196 HydrophobicContact CG2-CE2 3.65Å; T122-Y196 WeakPolarHBondContact CG2-OH 3.33Å; T122-Y196 PolarHBondContact O-N 2.88Å; N145-Y196 PolarHBondContact ND2-O 3.31Å; A183-Y196 WeakPolarHBondContact O-CA 3.32Å; A183-Y196 WeakPolarHBondContact O-CB 3.46Å; A185-Y196 HydrophobicContact CB-CD1 4.19Å; A185-Y196 HydrophobicContact CB-CD2 3.61Å; A185-Y196 HydrophobicContact CB-CE2 4.05Å; A185-Y196 HydrophobicContact CB-CG 3.68Å; V192-Y196 HydrophobicContact CG1-CD1 3.64Å; V192-Y196 HydrophobicContact CG1-CE1 4.49Å; V192-Y196 HydrophobicContact CG1-CG 3.97Å; G193-Y196 PolarHBondContact O-N 3.49Å
197	N	98.8	Very high	97.8	Very high	75 Å²	75	22.6 Å²	22.6	40%	0.401	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	4.6	171.2	-77.3	-40.5	0	0	0	113.2	T122 K124 A195	T122-N197 WeakPolarHBondContact CB-ND2 3.2Å; T122-N197 PolarHBondContact O-N 3.17Å; T122-N197 WeakPolarHBondContact OG1-CB 3.49Å; T122-N197 PolarHBondContact OG1-ND2 3.2Å; K124-N197 HydrophobicContact CB-CB 4.28Å; A195-N197 PolarHBondContact O-N 3Å
198	S	98.8	Very high	97.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-71.1	167.7	169.3	68.4	0	0	0	0	111.4	G123 I128 N145 S182 A195	G123-S198 WeakPolarHBondContact O-CA 3.24Å; G123-S198 WeakPolarHBondContact O-CB 3.14Å; I128-S198 VanDerWaalsContact CD1-CB 3.47Å; I128-S198 VanDerWaalsContact CD1-OG 3.32Å; I128-S198 WeakPolarHBondContact CD1-OG 3.37Å; N145-S198 WeakPolarHBondContact CB-O 3.44Å; N145-S198 VanDerWaalsContact CG-O 3.28Å; N145-S198 PolarHBondContact OD1-O 3.33Å; S182-S198 PolarHBondContact OG-OG 2.82Å; A195-S198 WeakPolarHBondContact CB-OG 3.49Å; A195-S198 VanDerWaalsContact O-CB 3.28Å; A195-S198 WeakPolarHBondContact O-CB 3.25Å; A195-S198 PolarHBondContact O-N 2.89Å; A195-S198 PolarHBondContact O-OG 3.09Å
199	K	98.9	Very high	96.4	Very high	73 Å²	73	23 Å²	23	32%	0.317	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	143	172.2	-68.1	-54.3	-178.4	-166.6	0	110.3	V126 T127 I128 S144 N145 N147	V126-K199 PolarHBondContact O-N 3.02Å; T127-K199 CarbonylContact C-O 3.51Å; T127-K199 WeakPolarHBondContact CA-O 3.22Å; T127-K199 HydrophobicContact CG2-CB 4.28Å; I128-K199 WeakPolarHBondContact CD1-O 3.36Å; I128-K199 PolarHBondContact N-O 3.44Å; S144-K199 PolarHBondContact O-NZ 3.23Å; N145-K199 CarbonylContact O-C 3.5Å; N145-K199 VanDerWaalsContact O-CA 3.24Å; N145-K199 WeakPolarHBondContact O-CA 3.43Å; N145-K199 VanDerWaalsContact O-CD 3.23Å; N145-K199 WeakPolarHBondContact O-CD 3.49Å; N147-K199 HydrophobicContact CB-CB 4.05Å
200	V	98.8	Very high	95.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.7	176.2	66.3	0	0	0	0	110.9	I128 I130 N145 Y146 N147 A178	I128-V200 CarbonylContact O-C 3.04Å; I128-V200 WeakPolarHBondContact O-CA 3.38Å; I130-V200 HydrophobicContact CD1-CG2 4.48Å; I130-V200 HydrophobicContact CG1-CG2 3.71Å; N145-V200 PolarHBondContact O-N 2.98Å; Y146-V200 CarbonylContact C-O 3.54Å; Y146-V200 WeakPolarHBondContact CA-O 3.47Å; N147-V200 PolarHBondContact N-O 3.36Å; A178-V200 HydrophobicContact CB-CG2 3.9Å
201	A	98.8	Very high	95.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.5	174.8	0	0	0	0	0	110.1	T127 I128 G129 I130 A150 S151 I227	T127-A201 HydrophobicContact CG2-CB 4.28Å; I128-A201 PolarHBondContact O-N 3.43Å; G129-A201 WeakPolarHBondContact CA-O 3.47Å; I130-A201 PolarHBondContact N-O 2.78Å; A150-A201 HydrophobicContact CB-CB 3.56Å; A150-A201 WeakPolarHBondContact O-CB 3.29Å; S151-A201 VanDerWaalsContact OG-CA 3.27Å; S151-A201 WeakPolarHBondContact OG-CA 3.13Å; S151-A201 WeakPolarHBondContact OG-CB 2.99Å; A201-I227 HydrophobicContact CB-CD1 4.49Å
202	G	98.6	Very high	95	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.9	175.5	0	0	0	0	0	110.4	I135 S151 Y152 P161	I135-G202 VanDerWaalsContact CD1-N 3.33Å; S151-G202 CarbonylContact C-O 3.22Å; S151-G202 VanDerWaalsContact CA-O 3.31Å; S151-G202 WeakPolarHBondContact CA-O 3.37Å; S151-G202 WeakPolarHBondContact CB-O 3.46Å; S151-G202 PolarHBondContact OG-N 2.99Å; Y152-G202 PolarHBondContact N-O 3.29Å; P161-G202 WeakPolarHBondContact CB-O 3.44Å; P161-G202 WeakPolarHBondContact CG-O 3.43Å
203	I	98.6	Very high	94.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	89.5	171.8	-61.2	168.8	0	0	0	106.7	I130 M131 D132 Y152 F154 M205 H222 I227 Y230	I130-I203 PolarHBondContact O-N 3.5Å; M131-I203 HydrophobicContact CG-CB 4.07Å; M131-I203 HydrophobicContact CG-CD1 3.78Å; M131-I203 HydrophobicContact CG-CG2 4.19Å; D132-I203 PolarHBondContact N-O 3.11Å; Y152-I203 CarbonylContact O-C 3.5Å; Y152-I203 WeakPolarHBondContact O-CA 3.07Å; F154-I203 HydrophobicContact CD2-CG2 3.76Å; F154-I203 HydrophobicContact CE2-CG2 3.74Å; I203-M205 PolarHBondContact O-N 2.48Å; I203-H222 HydrophobicContact CD1-CB 4.2Å; I203-I227 HydrophobicContact CD1-CD1 3.87Å; I203-Y230 HydrophobicContact CD1-CD1 4.06Å; I203-Y230 HydrophobicContact CD1-CE1 4.06Å
204	R	98	Very high	94.6	Very high	14 Å²	14	40.3 Å²	40.3	5%	0.053	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	111.9	-178.7	177.3	168.6	177.1	-118.3	-6.9	109.1	D132 D133 Y152 D153 F154 S155 S156 P161 D207	D132-R204 WeakPolarHBondContact O-CA 3.38Å; D133-R204 WeakPolarHBondContact O-CD 3.23Å; D133-R204 WeakPolarHBondContact O-CG 3.31Å; D133-R204 PolarHBondContact O-NE 3.38Å; Y152-R204 PolarHBondContact O-N 3.06Å; D153-R204 HydrophobicContact CB-CB 4.25Å; D153-R204 IonicContact OD1-NH1 3.88Å; D153-R204 IonicContact OD2-CZ 3.26Å; D153-R204 IonicContact OD2-NH1 3.82Å; D153-R204 PolarHBondContact OD2-NH1 2.84Å; F154-R204 PolarHBondContact N-O 2.97Å; S155-R204 PolarHBondContact N-O 2.54Å; S156-R204 PolarHBondContact OG-NH1 3.27Å; P161-R204 HydrophobicContact CB-CB 3.83Å; R204-D207 IonicContact CZ-OD2 3.72Å; R204-D207 IonicContact NE-OD2 3.28Å; R204-D207 IonicContact NH2-OD2 3.1Å; R204-D207 PolarHBondContact NH2-OD2 3.14Å
205	M	96.4	Very high	94.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.			trans	-141.6	-18.7	-176.6	63.3	88.1	74.5	0	0	113.4	D132 F154 I203 Q208 M211 I215 E216 S219 W234	D132-M205 PolarHBondContact O-N 2.79Å; F154-M205 HydrophobicContact CB-CB 4.26Å; I203-M205 PolarHBondContact O-N 2.48Å; M205-Q208 WeakPolarHBondContact O-CG 3.35Å; M205-Q208 PolarHBondContact O-NE2 2.8Å; M205-M211 HydrophobicContact CE-CE 3.8Å; M205-M211 HydrophobicContact CE-SD 3.56Å; M205-M211 VanDerWaalsContact CE-SD 3.56Å; M205-M211 WeakPolarHBondContact O-CE 2.92Å; M205-M211 HydrophobicContact SD-CE 3.63Å; M205-M211 HydrophobicContact SD-SD 4.21Å; M205-I215 HydrophobicContact CB-CG2 4.08Å; M205-E216 HydrophobicContact CE-CG 4.12Å; M205-S219 WeakPolarHBondContact CB-OG 3.28Å; M205-W234 HydrophobicContact CE-CH2 4.25Å; M205-W234 HydrophobicContact CE-CZ2 3.9Å; M205-W234 HydrophobicContact SD-CZ2 4.47Å
206	L	94.6	Very high	94.4	Very high	55 Å²	55	42.7 Å²	42.7	29%	0.288	22%	0.218	S	C	.	.	S	Bend	trans	-83.4	-21.4	-178	-64	179.7	0	0	0	114.6	D132 D133 Q208 M211 W234	D132-L206 HydrophobicContact CB-CD1 4.43Å; D132-L206 PolarHBondContact O-N 2.93Å; D133-L206 HydrophobicContact CB-CB 4.37Å; L206-Q208 VanDerWaalsContact C-N 3.28Å; L206-Q208 PolarHBondContact O-N 3.26Å; L206-M211 HydrophobicContact CD2-CE 3.73Å; L206-W234 HydrophobicContact CD1-CB 4.19Å; L206-W234 HydrophobicContact CD1-CG 4.39Å; L206-W234 HydrophobicContact CD2-CB 3.95Å; L206-W234 HydrophobicContact CD2-CG 3.94Å
207	D	90.8	Very high	94.3	Very high	18 Å²	18	41.7 Å²	41.7	10%	0.096	22%	0.216	C	C	.	.	S	Bend	trans	-84	67.5	-178	-172.6	16	0	0	0	112.5	S155 R164 N171 R204	S155-D207 WeakPolarHBondContact CB-O 3.35Å; S155-D207 PolarHBondContact OG-O 3.49Å; R164-D207 WeakPolarHBondContact CB-OD2 3.47Å; R164-D207 IonicContact CZ-OD1 3.69Å; R164-D207 IonicContact CZ-OD2 3.09Å; R164-D207 IonicContact NE-OD1 3.49Å; R164-D207 IonicContact NE-OD2 2.58Å; R164-D207 PolarHBondContact NE-OD2 3.31Å; R164-D207 IonicContact NH2-OD1 3.23Å; R164-D207 PolarHBondContact NH2-OD1 2.88Å; R164-D207 IonicContact NH2-OD2 3.64Å; R164-D207 PolarHBondContact NH2-OD2 3.37Å; N171-D207 PolarHBondContact ND2-OD2 2.98Å; R204-D207 IonicContact CZ-OD2 3.72Å; R204-D207 IonicContact NE-OD2 3.28Å; R204-D207 IonicContact NH2-OD2 3.1Å; R204-D207 PolarHBondContact NH2-OD2 3.14Å
208	Q	86.3	Confident	94.3	Very high	46 Å²	46	40.1 Å²	40.1	22%	0.215	21%	0.21	C	C	.	.	S	Bend	trans	-152.9	156	179.1	59.6	177.3	-28.1	0	0	111.9	M205 L206 F210 M211 I215	M205-Q208 WeakPolarHBondContact O-CG 3.35Å; M205-Q208 PolarHBondContact O-NE2 2.8Å; L206-Q208 VanDerWaalsContact C-N 3.28Å; L206-Q208 PolarHBondContact O-N 3.26Å; Q208-F210 VanDerWaalsContact C-N 3.28Å; Q208-F210 PolarHBondContact O-N 3.49Å; Q208-F210 PolarHBondContact OE1-O 3.03Å; Q208-M211 PolarHBondContact NE2-SD 2.97Å; Q208-I215 VanDerWaalsContact NE2-CG2 3.33Å
209	P	80.2	Confident	94.2	Very high	114 Å²	114	40.1 Å²	40.1	74%	0.74	21%	0.21	S	C	*	.	S	Bend	trans	-66.5	-26.7	-172.8	24.9	-35.5	0	0	0	114.4
210	F	82.4	Confident	94.2	Very high	160 Å²	160	36.6 Å²	36.6	70%	0.702	20%	0.195	S	C	*	.			trans	-144.1	135.3	178.7	-53.7	-74.3	0	0	0	110.2	Q208	Q208-F210 VanDerWaalsContact C-N 3.28Å; Q208-F210 PolarHBondContact O-N 3.49Å; Q208-F210 PolarHBondContact OE1-O 3.03Å
211	M	88.7	Confident	94.1	Very high	66 Å²	66	39.1 Å²	39.1	33%	0.325	21%	0.213	S	C	.	.			trans	-84.1	135.2	167.2	-165.3	57.9	62.8	0	0	109.6	M205 L206 Q208 I215 E216	M205-M211 HydrophobicContact CE-CE 3.8Å; M205-M211 HydrophobicContact CE-SD 3.56Å; M205-M211 VanDerWaalsContact CE-SD 3.56Å; M205-M211 WeakPolarHBondContact O-CE 2.92Å; M205-M211 HydrophobicContact SD-CE 3.63Å; M205-M211 HydrophobicContact SD-SD 4.21Å; L206-M211 HydrophobicContact CD2-CE 3.73Å; Q208-M211 PolarHBondContact NE2-SD 2.97Å; M211-I215 HydrophobicContact SD-CB 4.18Å; M211-I215 HydrophobicContact SD-CG2 3.97Å; M211-E216 HydrophobicContact CG-CG 3.54Å; M211-E216 WeakPolarHBondContact CG-OE1 3.33Å; M211-E216 HydrophobicContact SD-CG 3.87Å
212	T	92.9	Very high	94.1	Very high	60 Å²	60	40.4 Å²	40.4	37%	0.368	22%	0.219	S	C	.	.			trans	-125.3	151.8	177.4	63	0	0	0	0	109.8	I214 I215 E216	T212-I214 PolarHBondContact O-N 3.07Å; T212-I214 VanDerWaalsContact O-N 3.14Å; T212-I214 WeakPolarHBondContact OG1-CG2 3.12Å; T212-I215 PolarHBondContact O-N 2.91Å; T212-I215 WeakPolarHBondContact OG1-CD1 3.36Å; T212-I215 WeakPolarHBondContact OG1-CG1 3.34Å; T212-E216 PolarHBondContact O-N 2.93Å; T212-E216 VanDerWaalsContact O-N 3.09Å
213	D	94.6	Very high	94.1	Very high	28 Å²	28	43.8 Å²	43.8	15%	0.15	24%	0.235	C	C	.	.	H	α-helix	trans	-53.6	-36.3	179.9	-172.4	26.1	0	0	0	112.6	I215 A217 R247 L249 T250	D213-I215 VanDerWaalsContact C-N 3.33Å; D213-I215 PolarHBondContact O-N 2.96Å; D213-A217 WeakPolarHBondContact O-CB 2.95Å; D213-A217 PolarHBondContact O-N 3.12Å; D213-R247 HydrophobicContact CB-CB 3.96Å; D213-R247 WeakPolarHBondContact OD1-CB 3.5Å; D213-R247 WeakPolarHBondContact OD2-CB 3.44Å; D213-L249 WeakPolarHBondContact OD2-CB 3.38Å; D213-L249 WeakPolarHBondContact OD2-CG 3.44Å; D213-L249 PolarHBondContact OD2-N 2.79Å; D213-T250 PolarHBondContact O-OG1 2.92Å; D213-T250 VanDerWaalsContact O-OG1 3.13Å; D213-T250 VanDerWaalsContact OD1-CB 3.25Å; D213-T250 WeakPolarHBondContact OD1-CB 3.44Å; D213-T250 PolarHBondContact OD1-N 2.71Å; D213-T250 PolarHBondContact OD1-OG1 2.97Å
214	I	94.4	Very high	94.1	Very high	105 Å²	105	45.5 Å²	45.5	54%	0.538	25%	0.247	S	C	.	.	H	α-helix	trans	-67.8	-33.1	178.1	-169.2	167.7	0	0	0	112.4	T212 S218 L249	T212-I214 PolarHBondContact O-N 3.07Å; T212-I214 VanDerWaalsContact O-N 3.14Å; T212-I214 WeakPolarHBondContact OG1-CG2 3.12Å; I214-S218 WeakPolarHBondContact O-CB 3.38Å; I214-S218 PolarHBondContact O-N 2.87Å; I214-S218 PolarHBondContact O-OG 3.05Å; I214-L249 HydrophobicContact CB-CD1 4.28Å
215	I	94.8	Very high	94.1	Very high	28 Å²	28	50.4 Å²	50.4	14%	0.144	27%	0.27	C	S	.	.	H	α-helix	trans	-76.7	-41.9	179.1	-62.4	173	0	0	0	110.4	F154 M205 Q208 M211 T212 D213 S218 S219	F154-I215 HydrophobicContact CB-CG2 3.98Å; M205-I215 HydrophobicContact CB-CG2 4.08Å; Q208-I215 VanDerWaalsContact NE2-CG2 3.33Å; M211-I215 HydrophobicContact SD-CB 4.18Å; M211-I215 HydrophobicContact SD-CG2 3.97Å; T212-I215 PolarHBondContact O-N 2.91Å; T212-I215 WeakPolarHBondContact OG1-CD1 3.36Å; T212-I215 WeakPolarHBondContact OG1-CG1 3.34Å; D213-I215 VanDerWaalsContact C-N 3.33Å; D213-I215 PolarHBondContact O-N 2.96Å; I215-S218 PolarHBondContact O-N 3.34Å; I215-S219 VanDerWaalsContact O-CB 3.3Å; I215-S219 WeakPolarHBondContact O-CB 3.27Å; I215-S219 PolarHBondContact O-N 3.22Å; I215-S219 PolarHBondContact O-OG 2.92Å
216	E	97.5	Very high	94.2	Very high	23 Å²	23	52.7 Å²	52.7	11%	0.107	28%	0.282	C	S	.	.	H	α-helix	trans	-57.6	-52.4	171.7	-68.6	171.3	156.7	0	0	110.5	M205 M211 T212 S218 S219 I220 W234 T250 Y287	M205-E216 HydrophobicContact CE-CG 4.12Å; M211-E216 HydrophobicContact CG-CG 3.54Å; M211-E216 WeakPolarHBondContact CG-OE1 3.33Å; M211-E216 HydrophobicContact SD-CG 3.87Å; T212-E216 PolarHBondContact O-N 2.93Å; T212-E216 VanDerWaalsContact O-N 3.09Å; E216-S218 PolarHBondContact O-N 3.46Å; E216-S219 PolarHBondContact O-N 3.27Å; E216-I220 WeakPolarHBondContact O-CB 3.45Å; E216-I220 PolarHBondContact O-N 2.82Å; E216-W234 HydrophobicContact CB-CH2 4.43Å; E216-W234 HydrophobicContact CG-CH2 4.22Å; E216-W234 HydrophobicContact CG-CZ3 4.24Å; E216-T250 HydrophobicContact CB-CG2 4.06Å; E216-T250 VanDerWaalsContact CB-OG1 3.24Å; E216-T250 WeakPolarHBondContact CB-OG1 3.34Å; E216-Y287 PolarHBondContact OE1-OH 3.38Å; E216-Y287 PolarHBondContact OE2-OH 3.14Å
217	A	98	Very high	94.4	Very high	10 Å²	10	50 Å²	50	8%	0.083	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-43.1	178.2	0	0	0	0	0	112.9	D213 S221 L249 T250 A253	D213-A217 WeakPolarHBondContact O-CB 2.95Å; D213-A217 PolarHBondContact O-N 3.12Å; A217-S221 WeakPolarHBondContact O-CB 3.45Å; A217-S221 PolarHBondContact O-N 2.79Å; A217-S221 PolarHBondContact O-OG 3.36Å; A217-L249 HydrophobicContact CB-CB 3.78Å; A217-T250 PolarHBondContact N-OG1 3.28Å; A217-A253 HydrophobicContact CB-CB 4Å; A217-A253 WeakPolarHBondContact O-CB 3.36Å
218	S	97.8	Very high	94.8	Very high	42 Å²	42	50.3 Å²	50.3	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-68.4	-35.3	179.4	-58.9	0	0	0	0	112.2	F154 I214 I215 E216 H222	F154-S218 VanDerWaalsContact CE1-CB 3.44Å; F154-S218 VanDerWaalsContact CZ-O 3.31Å; F154-S218 WeakPolarHBondContact CZ-O 3.48Å; I214-S218 WeakPolarHBondContact O-CB 3.38Å; I214-S218 PolarHBondContact O-N 2.87Å; I214-S218 PolarHBondContact O-OG 3.05Å; I215-S218 PolarHBondContact O-N 3.34Å; E216-S218 PolarHBondContact O-N 3.46Å; S218-H222 WeakPolarHBondContact O-CB 3.16Å; S218-H222 PolarHBondContact O-N 3.09Å
219	S	97.8	Very high	95.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.2	-48.9	177.4	-57.2	0	0	0	0	111.1	F154 M205 I215 E216 S221 H222	F154-S219 WeakPolarHBondContact CD2-OG 3.31Å; M205-S219 WeakPolarHBondContact CB-OG 3.28Å; I215-S219 VanDerWaalsContact O-CB 3.3Å; I215-S219 WeakPolarHBondContact O-CB 3.27Å; I215-S219 PolarHBondContact O-N 3.22Å; I215-S219 PolarHBondContact O-OG 2.92Å; E216-S219 PolarHBondContact O-N 3.27Å; S219-S221 VanDerWaalsContact C-N 3.31Å; S219-S221 PolarHBondContact O-N 2.56Å; S219-H222 VanDerWaalsContact O-CB 3.29Å; S219-H222 WeakPolarHBondContact O-CB 3.43Å; S219-H222 PolarHBondContact O-N 2.77Å
220	I	97.8	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-36.7	179.4	-78.8	163.5	0	0	0	112	M131 E216 W234 T250 A253 M254 Y269 W271	M131-I220 HydrophobicContact CE-CG1 4.08Å; M131-I220 HydrophobicContact SD-CG1 3.94Å; E216-I220 WeakPolarHBondContact O-CB 3.45Å; E216-I220 PolarHBondContact O-N 2.82Å; I220-W234 HydrophobicContact CD1-CH2 3.95Å; I220-W234 HydrophobicContact CD1-CZ2 4.4Å; I220-T250 HydrophobicContact CD1-CG2 3.44Å; I220-T250 VanDerWaalsContact CD1-CG2 3.44Å; I220-A253 HydrophobicContact CG2-CB 4.05Å; I220-M254 HydrophobicContact CD1-CG 4.14Å; I220-M254 HydrophobicContact CG2-CG 3.82Å; I220-Y269 HydrophobicContact CG2-CE1 3.7Å; I220-Y269 WeakPolarHBondContact CG2-OH 3.42Å; I220-Y269 PolarHBondContact O-OH 2.81Å; I220-W271 HydrophobicContact CD1-CH2 4.13Å; I220-W271 HydrophobicContact CG1-CH2 4.46Å
221	S	98	Very high	97.1	Very high	53 Å²	53	35.2 Å²	35.2	37%	0.371	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	10.6	179.5	63.7	0	0	0	0	114	A217 S219 M223 P224	A217-S221 WeakPolarHBondContact O-CB 3.45Å; A217-S221 PolarHBondContact O-N 2.79Å; A217-S221 PolarHBondContact O-OG 3.36Å; S219-S221 VanDerWaalsContact C-N 3.31Å; S219-S221 PolarHBondContact O-N 2.56Å; S221-M223 PolarHBondContact O-N 3.48Å; S221-P224 WeakPolarHBondContact O-CD 3.16Å
222	H	98.6	Very high	97.5	Very high	27 Å²	27	32.1 Å²	32.1	13%	0.125	18%	0.176	C	C	.	.	S	Bend	trans	-69.8	120.4	-177.5	-175.3	68.4	0	0	0	111.2	A150 Y152 F154 I203 S218 S219 Y230	A150-H222 PolarHBondContact O-CD2 3.09Å; A150-H222 VanDerWaalsContact O-CD2 3.23Å; A150-H222 PolarHBondContact O-NE2 2.86Å; A150-H222 VanDerWaalsContact O-NE2 3.16Å; Y152-H222 VanDerWaalsContact CB-CE1 3.47Å; Y152-H222 WeakPolarHBondContact CB-CE1 3.48Å; F154-H222 HydrophobicContact CE2-CB 4.22Å; F154-H222 HydrophobicContact CZ-CB 4.22Å; F154-H222 AromaticContact CZ-ND1 3.85Å; I203-H222 HydrophobicContact CD1-CB 4.2Å; S218-H222 WeakPolarHBondContact O-CB 3.16Å; S218-H222 PolarHBondContact O-N 3.09Å; S219-H222 VanDerWaalsContact O-CB 3.29Å; S219-H222 WeakPolarHBondContact O-CB 3.43Å; S219-H222 PolarHBondContact O-N 2.77Å; H222-Y230 WeakPolarHBondContact O-CE1 3.32Å; H222-Y230 PolarHBondContact O-OH 3.22Å
223	M	98.4	Very high	97.5	Very high	70 Å²	70	30.3 Å²	30.3	35%	0.345	17%	0.166	S	C	.	.	S	Bend	trans	49	51.7	171.9	-63.4	-66	-79.2	0	0	115.8	E149 S221 Q225 L226 I227	E149-M223 HydrophobicContact CG-CE 4.31Å; S221-M223 PolarHBondContact O-N 3.48Å; M223-Q225 PolarHBondContact O-N 3.34Å; M223-L226 HydrophobicContact CB-CB 4.33Å; M223-L226 HydrophobicContact CE-CB 4.29Å; M223-L226 HydrophobicContact CE-CD2 3.82Å; M223-L226 PolarHBondContact O-N 2.94Å; M223-I227 HydrophobicContact CB-CD1 4.38Å; M223-I227 PolarHBondContact O-N 3.29Å
224	P	98.3	Very high	97.6	Very high	36 Å²	36	30.2 Å²	30.2	23%	0.234	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-1.5	-170.4	34.3	-37.9	0	0	0	114.1	S221 Y230 G261 R262	S221-P224 WeakPolarHBondContact O-CD 3.16Å; P224-Y230 WeakPolarHBondContact CA-OH 3.35Å; P224-G261 CarbonylContact O-C 3.56Å; P224-G261 WeakPolarHBondContact O-CA 3.45Å; P224-R262 PolarHBondContact O-N 3.06Å
225	Q	98.5	Very high	97.6	Very high	118 Å²	118	26.9 Å²	26.9	55%	0.551	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-13.5	171.8	-54.5	-53.1	-44.9	0	0	112.5	M223 K260	M223-Q225 PolarHBondContact O-N 3.34Å; Q225-K260 PolarHBondContact NE2-O 3.23Å
226	L	98.5	Very high	97.7	Very high	47 Å²	47	26.6 Å²	26.6	25%	0.246	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-36.6	-180	-175.8	60.3	0	0	0	111.6	T127 E149 A150 M223	T127-L226 VanDerWaalsContact CB-O 3.31Å; T127-L226 WeakPolarHBondContact CB-O 3.13Å; E149-L226 HydrophobicContact CB-CD2 3.89Å; E149-L226 HydrophobicContact CG-CD2 3.63Å; A150-L226 HydrophobicContact CB-CD2 3.7Å; A150-L226 HydrophobicContact CB-CG 4.01Å; M223-L226 HydrophobicContact CB-CB 4.33Å; M223-L226 HydrophobicContact CE-CB 4.29Å; M223-L226 HydrophobicContact CE-CD2 3.82Å; M223-L226 PolarHBondContact O-N 2.94Å
227	I	98.9	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.179	C	C	.	.			trans	-87	127.1	173	-63.1	172	0	0	0	109.1	T127 A150 A201 I203 M223 I229 Y230	T127-I227 HydrophobicContact CG2-CG1 4.24Å; A150-I227 HydrophobicContact CB-CD1 4.22Å; A150-I227 HydrophobicContact CB-CG1 3.82Å; A201-I227 HydrophobicContact CB-CD1 4.49Å; I203-I227 HydrophobicContact CD1-CD1 3.87Å; M223-I227 HydrophobicContact CB-CD1 4.38Å; M223-I227 PolarHBondContact O-N 3.29Å; I227-I229 WeakPolarHBondContact CG2-O 3.35Å; I227-Y230 HydrophobicContact CB-CE1 4.15Å; I227-Y230 HydrophobicContact CB-CE2 4.05Å; I227-Y230 HydrophobicContact CD1-CE1 3.87Å; I227-Y230 HydrophobicContact CG2-CD1 4.03Å; I227-Y230 HydrophobicContact CG2-CD2 3.84Å; I227-Y230 HydrophobicContact CG2-CE1 3.78Å; I227-Y230 HydrophobicContact CG2-CE2 3.56Å; I227-Y230 HydrophobicContact CG2-CG 4.06Å
228	D	98.9	Very high	97.4	Very high	24 Å²	24	32.4 Å²	32.4	13%	0.128	19%	0.19	C	C	.	.			trans	-88.8	-44.4	176.3	-67	-74.3	0	0	0	111.9	V126 T127 R262 I268 L363	V126-D228 WeakPolarHBondContact CA-OD2 3.27Å; V126-D228 HydrophobicContact CG1-CB 3.79Å; T127-D228 PolarHBondContact N-OD2 3.41Å; T127-D228 PolarHBondContact O-N 3.19Å; D228-R262 WeakPolarHBondContact O-CD 3.3Å; D228-R262 IonicContact OD1-CZ 3.32Å; D228-R262 IonicContact OD1-NE 2.94Å; D228-R262 PolarHBondContact OD1-NE 3.18Å; D228-R262 IonicContact OD1-NH2 2.76Å; D228-I268 PolarHBondContact O-N 2.63Å; D228-I268 VanDerWaalsContact O-N 3.12Å; D228-L363 HydrophobicContact CB-CD1 3.73Å
229	I	98.9	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.6	-172.1	-57.4	164.2	0	0	0	108.5	V126 T127 I128 G129 I227 I268 V270 A356 F359 A360 L363	V126-I229 HydrophobicContact CG1-CD1 4.07Å; T127-I229 PolarHBondContact O-N 3.14Å; I128-I229 CarbonylContact C-O 3.52Å; I128-I229 VanDerWaalsContact CA-O 3.27Å; I128-I229 WeakPolarHBondContact CA-O 3.35Å; I128-I229 HydrophobicContact CG1-CB 4.17Å; I128-I229 HydrophobicContact CG1-CD1 4.27Å; I128-I229 HydrophobicContact CG2-CB 4.29Å; I128-I229 HydrophobicContact CG2-CG2 4.32Å; G129-I229 PolarHBondContact N-O 2.85Å; I227-I229 WeakPolarHBondContact CG2-O 3.35Å; I229-I268 CarbonylContact C-O 3.51Å; I229-I268 WeakPolarHBondContact CA-O 3.38Å; I229-I268 HydrophobicContact CG1-CB 4.13Å; I229-I268 HydrophobicContact CG1-CD1 4.26Å; I229-I268 HydrophobicContact CG1-CG2 4.39Å; I229-I268 HydrophobicContact CG2-CG2 4.27Å; I229-V270 HydrophobicContact CG2-CG2 3.66Å; I229-A356 HydrophobicContact CG2-CB 3.89Å; I229-F359 HydrophobicContact CD1-CB 3.79Å; I229-A360 HydrophobicContact CD1-CB 3.98Å; I229-L363 HydrophobicContact CD1-CD1 3.87Å; I229-L363 HydrophobicContact CG1-CD1 3.91Å
230	Y	98.9	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.8	173	-63.3	-100.8	0	0	0	107.8	G129 M131 I203 H222 P224 I227 I268 Y269 V270	G129-Y230 WeakPolarHBondContact O-CA 3.16Å; M131-Y230 HydrophobicContact CG-CD1 4.32Å; M131-Y230 HydrophobicContact SD-CD1 3.83Å; M131-Y230 HydrophobicContact SD-CG 4.45Å; I203-Y230 HydrophobicContact CD1-CD1 4.06Å; I203-Y230 HydrophobicContact CD1-CE1 4.06Å; H222-Y230 WeakPolarHBondContact O-CE1 3.32Å; H222-Y230 PolarHBondContact O-OH 3.22Å; P224-Y230 WeakPolarHBondContact CA-OH 3.35Å; I227-Y230 HydrophobicContact CB-CE1 4.15Å; I227-Y230 HydrophobicContact CB-CE2 4.05Å; I227-Y230 HydrophobicContact CD1-CE1 3.87Å; I227-Y230 HydrophobicContact CG2-CD1 4.03Å; I227-Y230 HydrophobicContact CG2-CD2 3.84Å; I227-Y230 HydrophobicContact CG2-CE1 3.78Å; I227-Y230 HydrophobicContact CG2-CE2 3.56Å; I227-Y230 HydrophobicContact CG2-CG 4.06Å; Y230-I268 PolarHBondContact N-O 3.44Å; Y230-Y269 HydrophobicContact CD1-CE1 4.43Å; Y230-Y269 AromaticContact CD2-CD1 3.97Å; Y230-Y269 HydrophobicContact CD2-CD1 3.97Å; Y230-Y269 AromaticContact CD2-CE1 3.62Å; Y230-Y269 HydrophobicContact CD2-CE1 3.62Å; Y230-Y269 HydrophobicContact CE2-CE1 4.18Å; Y230-Y269 AromaticContact CG-CD1 3.95Å; Y230-Y269 HydrophobicContact CG-CD1 3.95Å; Y230-Y269 AromaticContact CG-CE1 3.77Å; Y230-Y269 HydrophobicContact CG-CE1 3.77Å; Y230-V270 PolarHBondContact O-N 3.3Å
231	S	98.8	Very high	97.3	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.4	175.8	-167.6	0	0	0	0	109.2	G129 M131	G129-S231 PolarHBondContact O-N 3.33Å; M131-S231 PolarHBondContact N-O 3Å
232	A	97.6	Very high	97.2	Very high	1 Å²	1	36 Å²	36	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.7	177.4	0	0	0	0	0	111.4	M131 W234 V270 W271 A272	M131-A232 HydrophobicContact CB-CB 4.47Å; M131-A232 HydrophobicContact CE-CB 3.65Å; A232-W234 HydrophobicContact CB-CZ2 4.39Å; A232-V270 PolarHBondContact N-O 2.92Å; A232-W271 HydrophobicContact CB-CD2 3.79Å; A232-W271 HydrophobicContact CB-CE3 3.79Å; A232-W271 HydrophobicContact CB-CH2 3.65Å; A232-W271 HydrophobicContact CB-CZ2 3.63Å; A232-W271 HydrophobicContact CB-CZ3 3.73Å; A232-W271 WeakPolarHBondContact O-CA 3.29Å; A232-A272 PolarHBondContact O-N 3.22Å
233	S	93.5	Very high	97.2	Very high	22 Å²	22	36.1 Å²	36.1	15%	0.154	20%	0.202	C	C	.	.			trans	-133	37.2	179.5	-55.4	0	0	0	0	110.8	S349	S233-S349 WeakPolarHBondContact CB-OG 3.31Å; S233-S349 WeakPolarHBondContact OG-CA 3.37Å; S233-S349 PolarHBondContact OG-O 2.83Å
234	W	95	Very high	97.1	Very high	26 Å²	26	36.1 Å²	36.1	10%	0.098	20%	0.203	C	C	.	.			trans	-127.7	158.7	179.6	51.3	-97.7	0	0	0	110.4	M131 M205 L206 E216 I220 A232 W271 Y287	M131-W234 HydrophobicContact CE-CZ2 4.3Å; M131-W234 PolarHBondContact O-NE1 2.83Å; M205-W234 HydrophobicContact CE-CH2 4.25Å; M205-W234 HydrophobicContact CE-CZ2 3.9Å; M205-W234 HydrophobicContact SD-CZ2 4.47Å; L206-W234 HydrophobicContact CD1-CB 4.19Å; L206-W234 HydrophobicContact CD1-CG 4.39Å; L206-W234 HydrophobicContact CD2-CB 3.95Å; L206-W234 HydrophobicContact CD2-CG 3.94Å; E216-W234 HydrophobicContact CB-CH2 4.43Å; E216-W234 HydrophobicContact CG-CH2 4.22Å; E216-W234 HydrophobicContact CG-CZ3 4.24Å; I220-W234 HydrophobicContact CD1-CH2 3.95Å; I220-W234 HydrophobicContact CD1-CZ2 4.4Å; A232-W234 HydrophobicContact CB-CZ2 4.39Å; W234-W271 AromaticContact CD2-CZ2 3.87Å; W234-W271 HydrophobicContact CD2-CZ2 3.87Å; W234-W271 AromaticContact CE2-CZ2 3.71Å; W234-W271 AromaticContact CE3-CZ2 3.81Å; W234-W271 HydrophobicContact CE3-CZ2 3.81Å; W234-W271 AromaticContact CH2-CH2 3.54Å; W234-W271 HydrophobicContact CH2-CH2 3.54Å; W234-W271 AromaticContact CH2-CZ2 3.49Å; W234-W271 HydrophobicContact CH2-CZ2 3.49Å; W234-W271 VanDerWaalsContact CH2-CZ2 3.49Å; W234-W271 AromaticContact CZ2-CH2 3.44Å; W234-W271 HydrophobicContact CZ2-CH2 3.44Å; W234-W271 VanDerWaalsContact CZ2-CH2 3.44Å; W234-W271 AromaticContact CZ2-CZ2 3.53Å; W234-W271 HydrophobicContact CZ2-CZ2 3.53Å; W234-W271 HydrophobicContact CZ3-CH2 4.16Å; W234-W271 AromaticContact CZ3-CZ2 3.64Å; W234-W271 HydrophobicContact CZ3-CZ2 3.64Å; W234-W271 PolarHBondContact O-NE1 3.02Å; W234-Y287 HydrophobicContact CH2-CD1 4.25Å; W234-Y287 AromaticContact CH2-CE1 3.89Å; W234-Y287 HydrophobicContact CH2-CE1 3.89Å; W234-Y287 AromaticContact CZ3-CD1 3.89Å; W234-Y287 HydrophobicContact CZ3-CD1 3.89Å; W234-Y287 AromaticContact CZ3-CE1 3.51Å; W234-Y287 HydrophobicContact CZ3-CE1 3.51Å; W234-Y287 HydrophobicContact CZ3-CE2 4.17Å; W234-Y287 HydrophobicContact CZ3-CG 4.38Å; W234-Y287 AromaticContact CZ3-CZ 3.66Å
235	G	95.4	Very high	97	Very high	36 Å²	36	34.9 Å²	34.9	37%	0.371	20%	0.197	S	C	.	.			trans	-176	-162.4	-178.3	0	0	0	0	0	110.2
236	P	95.8	Very high	96.9	Very high	22 Å²	22	30 Å²	30	14%	0.143	18%	0.175	C	C	.	.	S	Bend	trans	-58.2	167.6	167.8	-18.1	32.5	0	0	0	111	D238 T242 D244 D285	P236-D238 PolarHBondContact O-N 2.94Å; P236-T242 HydrophobicContact CB-CG2 3.71Å; P236-D244 HydrophobicContact CB-CB 4.01Å; P236-D244 HydrophobicContact CG-CB 3.9Å; P236-D244 WeakPolarHBondContact CG-O 3.41Å; P236-D285 WeakPolarHBondContact CD-OD1 3.42Å; P236-D285 HydrophobicContact CG-CB 4.27Å
237	T	94.3	Very high	96.8	Very high	96 Å²	96	34.7 Å²	34.7	59%	0.589	19%	0.19	S	C	*	.			trans	-72.3	121.7	177.7	-50.9	0	0	0	0	112	N239 T242	T237-N239 HydrophobicContact CG2-CB 4.13Å; T237-N239 PolarHBondContact O-N 3.23Å; T237-N239 PolarHBondContact O-OD1 3.28Å; T237-T242 WeakPolarHBondContact O-CB 3.46Å; T237-T242 PolarHBondContact O-OG1 2.78Å
238	D	95.7	Very high	96.7	Very high	58 Å²	58	42.2 Å²	42.2	31%	0.31	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	54.9	178.2	-56.9	-11.8	0	0	0	113.9	P236 D275	P236-D238 PolarHBondContact O-N 2.94Å; D238-D275 PolarHBondContact OD2-N 2.91Å
239	N	96.5	Very high	96.6	Very high	53 Å²	53	44.9 Å²	44.9	28%	0.283	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	0.7	-175.8	61.5	24.6	0	0	0	113.5	T237 K241 T242 D280 R506	T237-N239 HydrophobicContact CG2-CB 4.13Å; T237-N239 PolarHBondContact O-N 3.23Å; T237-N239 PolarHBondContact O-OD1 3.28Å; N239-K241 VanDerWaalsContact C-N 3.3Å; N239-K241 VanDerWaalsContact OD1-CA 3.3Å; N239-K241 WeakPolarHBondContact OD1-CA 3.45Å; N239-K241 WeakPolarHBondContact OD1-CB 3.3Å; N239-K241 PolarHBondContact OD1-N 2.8Å; N239-T242 VanDerWaalsContact CG-OG1 3.31Å; N239-T242 PolarHBondContact ND2-OG1 3.02Å; N239-T242 PolarHBondContact OD1-N 2.91Å; N239-T242 PolarHBondContact OD1-OG1 3.08Å; N239-D280 PolarHBondContact N-OD2 3.47Å; N239-R506 WeakPolarHBondContact O-CD 3.31Å
240	G	96.8	Very high	96.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	19.4	-174	0	0	0	0	0	113.7	Y279 D280 D507	G240-Y279 VanDerWaalsContact CA-O 3.29Å; G240-Y279 WeakPolarHBondContact CA-O 3.26Å; G240-D280 VanDerWaalsContact CA-OD2 3.25Å; G240-D280 WeakPolarHBondContact CA-OD2 3.33Å; G240-D280 PolarHBondContact N-OD2 3.01Å; G240-D507 WeakPolarHBondContact O-CB 3.46Å; G240-D507 PolarHBondContact O-N 3.32Å
241	K	96.9	Very high	96.5	Very high	80 Å²	80	48.2 Å²	48.2	35%	0.348	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.9	-37.8	-175.3	-44.2	-164.5	175.6	-152.3	0	113.6	N239 R483 R504 R506 D508	N239-K241 VanDerWaalsContact C-N 3.3Å; N239-K241 VanDerWaalsContact OD1-CA 3.3Å; N239-K241 WeakPolarHBondContact OD1-CA 3.45Å; N239-K241 WeakPolarHBondContact OD1-CB 3.3Å; N239-K241 PolarHBondContact OD1-N 2.8Å; K241-R483 PolarHBondContact O-NH2 3.33Å; K241-R504 PolarHBondContact O-NH2 2.81Å; K241-R504 VanDerWaalsContact O-NH2 3.15Å; K241-R506 HydrophobicContact CD-CB 4.4Å; K241-R506 VanDerWaalsContact CD-O 3.29Å; K241-R506 WeakPolarHBondContact CD-O 3.37Å; K241-R506 WeakPolarHBondContact CE-O 3.5Å; K241-R506 HydrophobicContact CG-CB 3.77Å; K241-R506 WeakPolarHBondContact CG-O 3.41Å; K241-R506 PolarHBondContact NZ-O 2.91Å; K241-D508 IonicContact NZ-OD1 3.62Å; K241-D508 PolarHBondContact NZ-OD1 2.92Å
242	T	97.3	Very high	96.4	Very high	37 Å²	37	53.4 Å²	53.4	23%	0.227	28%	0.28	C	S	.	.			trans	-64.9	143.4	-174.5	-44.5	0	0	0	0	110.3	P236 T237 N239 D244 R504	P236-T242 HydrophobicContact CB-CG2 3.71Å; T237-T242 WeakPolarHBondContact O-CB 3.46Å; T237-T242 PolarHBondContact O-OG1 2.78Å; N239-T242 VanDerWaalsContact CG-OG1 3.31Å; N239-T242 PolarHBondContact ND2-OG1 3.02Å; N239-T242 PolarHBondContact OD1-N 2.91Å; N239-T242 PolarHBondContact OD1-OG1 3.08Å; T242-D244 HydrophobicContact CG2-CB 4.13Å; T242-R504 PolarHBondContact O-NH1 2.92Å; T242-R504 PolarHBondContact O-NH2 2.61Å
243	V	97.9	Very high	96.5	Very high	31 Å²	31	53.8 Å²	53.8	19%	0.188	28%	0.283	C	S	.	.			trans	-135	108.2	165.6	178.9	0	0	0	0	104	C284 R483 F514 W517	V243-C284 WeakPolarHBondContact CA-O 3.11Å; V243-C284 HydrophobicContact CG2-CB 4.07Å; V243-R483 VanDerWaalsContact CG2-CZ 3.44Å; V243-F514 HydrophobicContact CB-CE1 4.38Å; V243-F514 HydrophobicContact CG1-CD1 4.03Å; V243-F514 HydrophobicContact CG1-CE1 3.8Å; V243-F514 HydrophobicContact CG2-CD1 4.49Å; V243-F514 HydrophobicContact CG2-CE1 3.68Å; V243-F514 HydrophobicContact CG2-CZ 4.2Å; V243-W517 HydrophobicContact CG1-CD2 3.75Å; V243-W517 HydrophobicContact CG1-CE3 3.66Å; V243-W517 HydrophobicContact CG1-CH2 3.72Å; V243-W517 HydrophobicContact CG1-CZ2 3.8Å; V243-W517 HydrophobicContact CG1-CZ3 3.64Å
244	D	97.1	Very high	96.7	Very high	69 Å²	69	52.7 Å²	52.7	37%	0.369	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-156.2	164.3	-177.8	-153.6	-0.1	0	0	0	109.8	P236 T242 R247 C284 G286 W517	P236-D244 HydrophobicContact CB-CB 4.01Å; P236-D244 HydrophobicContact CG-CB 3.9Å; P236-D244 WeakPolarHBondContact CG-O 3.41Å; T242-D244 HydrophobicContact CG2-CB 4.13Å; D244-R247 IonicContact OD2-NH2 3.41Å; D244-C284 PolarHBondContact N-O 3.23Å; D244-G286 PolarHBondContact O-N 3Å; D244-W517 WeakPolarHBondContact O-CH2 3.34Å
245	G	96.6	Very high	96.9	Very high	10 Å²	10	52.5 Å²	52.5	10%	0.103	28%	0.28	C	S	.	.			trans	-167.3	-174.4	-176	0	0	0	0	0	112.3	R247	G245-R247 PolarHBondContact O-N 2.79Å
246	P	96.6	Very high	97	Very high	16 Å²	16	53.6 Å²	53.6	10%	0.104	28%	0.277	C	S	.	.			trans	-59.9	133.7	-179.2	26.2	-35.8	0	0	0	111	T250 L251 M254 G286 Y287	P246-T250 HydrophobicContact CB-CG2 3.62Å; P246-L251 HydrophobicContact CB-CD2 4.11Å; P246-L251 HydrophobicContact CB-CG 3.91Å; P246-L251 HydrophobicContact CG-CD2 3.53Å; P246-L251 HydrophobicContact CG-CG 3.83Å; P246-L251 WeakPolarHBondContact O-CD1 3.47Å; P246-M254 HydrophobicContact CB-SD 4.22Å; P246-M254 HydrophobicContact CG-SD 4.19Å; P246-G286 VanDerWaalsContact CD-C 3.46Å; P246-G286 WeakPolarHBondContact CD-O 3.43Å; P246-Y287 HydrophobicContact CB-CD1 4.22Å; P246-Y287 HydrophobicContact CB-CE1 3.65Å; P246-Y287 HydrophobicContact CG-CD1 4.37Å; P246-Y287 HydrophobicContact CG-CE1 4.25Å
247	R	95.6	Very high	97.2	Very high	145 Å²	145	52.7 Å²	52.7	55%	0.547	27%	0.272	S	S	.	.			trans	-81.7	-176.9	172.9	-64.9	-177.9	-167.5	-81.4	-12.6	110	D213 D244 G245 L249 T250 L251	D213-R247 HydrophobicContact CB-CB 3.96Å; D213-R247 WeakPolarHBondContact OD1-CB 3.5Å; D213-R247 WeakPolarHBondContact OD2-CB 3.44Å; D244-R247 IonicContact OD2-NH2 3.41Å; G245-R247 PolarHBondContact O-N 2.79Å; R247-L249 PolarHBondContact O-N 3.11Å; R247-T250 PolarHBondContact O-N 3.09Å; R247-L251 WeakPolarHBondContact O-CB 3.28Å; R247-L251 WeakPolarHBondContact O-CG 3.2Å; R247-L251 PolarHBondContact O-N 2.88Å
248	E	95.9	Very high	97.3	Very high	159 Å²	159	48.3 Å²	48.3	74%	0.743	25%	0.245	S	C	*	.	H	α-helix	trans	-57.9	-45.5	-167.5	-173.8	174.2	-174.2	0	0	113.6	Q252	E248-Q252 WeakPolarHBondContact O-CB 3.29Å; E248-Q252 PolarHBondContact O-N 3.27Å
249	L	97.8	Very high	97.5	Very high	80 Å²	80	50.2 Å²	50.2	42%	0.419	26%	0.255	S	S	.	.	H	α-helix	trans	-68.3	-41.1	-179.3	-60.4	175.2	0	0	0	110.8	D213 I214 A217 R247 Q252 A253	D213-L249 WeakPolarHBondContact OD2-CB 3.38Å; D213-L249 WeakPolarHBondContact OD2-CG 3.44Å; D213-L249 PolarHBondContact OD2-N 2.79Å; I214-L249 HydrophobicContact CB-CD1 4.28Å; A217-L249 HydrophobicContact CB-CB 3.78Å; R247-L249 PolarHBondContact O-N 3.11Å; L249-Q252 PolarHBondContact O-N 2.84Å; L249-A253 WeakPolarHBondContact O-CB 3.32Å; L249-A253 PolarHBondContact O-N 3.47Å
250	T	98.1	Very high	97.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.3	-43.7	179.5	-60.9	0	0	0	0	111.9	D213 E216 A217 I220 P246 R247 Q252 A253 M254 Y287	D213-T250 PolarHBondContact O-OG1 2.92Å; D213-T250 VanDerWaalsContact O-OG1 3.13Å; D213-T250 VanDerWaalsContact OD1-CB 3.25Å; D213-T250 WeakPolarHBondContact OD1-CB 3.44Å; D213-T250 PolarHBondContact OD1-N 2.71Å; D213-T250 PolarHBondContact OD1-OG1 2.97Å; E216-T250 HydrophobicContact CB-CG2 4.06Å; E216-T250 VanDerWaalsContact CB-OG1 3.24Å; E216-T250 WeakPolarHBondContact CB-OG1 3.34Å; A217-T250 PolarHBondContact N-OG1 3.28Å; I220-T250 HydrophobicContact CD1-CG2 3.44Å; I220-T250 VanDerWaalsContact CD1-CG2 3.44Å; P246-T250 HydrophobicContact CB-CG2 3.62Å; R247-T250 PolarHBondContact O-N 3.09Å; T250-Q252 VanDerWaalsContact C-N 3.28Å; T250-Q252 PolarHBondContact O-N 3.44Å; T250-A253 WeakPolarHBondContact O-CB 3.42Å; T250-A253 PolarHBondContact O-N 3.49Å; T250-A253 VanDerWaalsContact O-N 3.15Å; T250-M254 HydrophobicContact CG2-SD 4.41Å; T250-M254 VanDerWaalsContact O-CG 3.32Å; T250-M254 WeakPolarHBondContact O-CG 3.41Å; T250-M254 PolarHBondContact O-N 3.13Å; T250-Y287 HydrophobicContact CG2-CE1 3.98Å
251	L	96.9	Very high	97.6	Very high	70 Å²	70	53.3 Å²	53.3	37%	0.366	27%	0.266	S	S	.	.	H	α-helix	trans	-57.8	-42.7	172.2	-79.6	170.7	0	0	0	111.4	P246 R247 M254 A255 W292	P246-L251 HydrophobicContact CB-CD2 4.11Å; P246-L251 HydrophobicContact CB-CG 3.91Å; P246-L251 HydrophobicContact CG-CD2 3.53Å; P246-L251 HydrophobicContact CG-CG 3.83Å; P246-L251 WeakPolarHBondContact O-CD1 3.47Å; R247-L251 WeakPolarHBondContact O-CB 3.28Å; R247-L251 WeakPolarHBondContact O-CG 3.2Å; R247-L251 PolarHBondContact O-N 2.88Å; L251-M254 PolarHBondContact O-N 2.84Å; L251-A255 WeakPolarHBondContact O-CB 3.36Å; L251-A255 PolarHBondContact O-N 2.77Å; L251-W292 HydrophobicContact CD2-CZ3 3.83Å; L251-W292 WeakPolarHBondContact O-CZ3 3.4Å
252	Q	97.9	Very high	97.7	Very high	111 Å²	111	50 Å²	50	52%	0.519	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-41.7	175.9	-174.1	176.3	2.7	0	0	111.7	E248 L249 T250 A255 D256	E248-Q252 WeakPolarHBondContact O-CB 3.29Å; E248-Q252 PolarHBondContact O-N 3.27Å; L249-Q252 PolarHBondContact O-N 2.84Å; T250-Q252 VanDerWaalsContact C-N 3.28Å; T250-Q252 PolarHBondContact O-N 3.44Å; Q252-A255 PolarHBondContact O-N 2.74Å; Q252-D256 WeakPolarHBondContact O-CB 3.25Å; Q252-D256 PolarHBondContact O-N 2.79Å
253	A	98.6	Very high	97.7	Very high	8 Å²	8	51.2 Å²	51.2	7%	0.066	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-42.4	176.9	0	0	0	0	0	112.2	A217 I220 L249 T250 D256 G257	A217-A253 HydrophobicContact CB-CB 4Å; A217-A253 WeakPolarHBondContact O-CB 3.36Å; I220-A253 HydrophobicContact CG2-CB 4.05Å; L249-A253 WeakPolarHBondContact O-CB 3.32Å; L249-A253 PolarHBondContact O-N 3.47Å; T250-A253 WeakPolarHBondContact O-CB 3.42Å; T250-A253 PolarHBondContact O-N 3.49Å; T250-A253 VanDerWaalsContact O-N 3.15Å; A253-D256 PolarHBondContact O-N 2.81Å; A253-G257 PolarHBondContact O-N 3.31Å
254	M	98.5	Very high	97.8	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-47.8	174.6	-66.8	175.7	84	0	0	111	I220 P246 T250 L251 D256 G257 V258 W292 T293	I220-M254 HydrophobicContact CD1-CG 4.14Å; I220-M254 HydrophobicContact CG2-CG 3.82Å; P246-M254 HydrophobicContact CB-SD 4.22Å; P246-M254 HydrophobicContact CG-SD 4.19Å; T250-M254 HydrophobicContact CG2-SD 4.41Å; T250-M254 VanDerWaalsContact O-CG 3.32Å; T250-M254 WeakPolarHBondContact O-CG 3.41Å; T250-M254 PolarHBondContact O-N 3.13Å; L251-M254 PolarHBondContact O-N 2.84Å; M254-D256 PolarHBondContact O-N 3.23Å; M254-G257 PolarHBondContact O-N 2.97Å; M254-V258 PolarHBondContact O-N 3.17Å; M254-W292 HydrophobicContact CB-CD2 4.43Å; M254-W292 HydrophobicContact CB-CE3 3.57Å; M254-W292 HydrophobicContact CB-CZ3 4.1Å; M254-W292 HydrophobicContact CE-CB 4.38Å; M254-W292 HydrophobicContact SD-CE3 4.47Å; M254-T293 HydrophobicContact CE-CG2 3.41Å; M254-T293 VanDerWaalsContact CE-CG2 3.41Å
255	A	97.9	Very high	97.8	Very high	22 Å²	22	52.3 Å²	52.3	18%	0.182	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-44.3	176.7	0	0	0	0	0	111.9	L251 Q252 G257 V258 N259 W292	L251-A255 WeakPolarHBondContact O-CB 3.36Å; L251-A255 PolarHBondContact O-N 2.77Å; Q252-A255 PolarHBondContact O-N 2.74Å; A255-G257 VanDerWaalsContact C-N 3.35Å; A255-V258 VanDerWaalsContact O-CG2 3.31Å; A255-V258 WeakPolarHBondContact O-CG2 3.49Å; A255-N259 WeakPolarHBondContact O-CB 3.47Å; A255-N259 VanDerWaalsContact O-CG 3.31Å; A255-N259 PolarHBondContact O-N 3.3Å; A255-N259 VanDerWaalsContact O-N 3.16Å; A255-N259 PolarHBondContact O-ND2 3.35Å; A255-W292 HydrophobicContact CB-CH2 3.77Å; A255-W292 HydrophobicContact CB-CZ2 3.98Å; A255-W292 HydrophobicContact CB-CZ3 4.17Å
256	D	98.6	Very high	97.9	Very high	58 Å²	58	51.8 Å²	51.8	31%	0.31	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-38.9	176.2	-88.8	-5.4	0	0	0	111.7	Q252 A253 M254 N259 K260	Q252-D256 WeakPolarHBondContact O-CB 3.25Å; Q252-D256 PolarHBondContact O-N 2.79Å; A253-D256 PolarHBondContact O-N 2.81Å; M254-D256 PolarHBondContact O-N 3.23Å; D256-N259 PolarHBondContact O-N 2.67Å; D256-K260 HydrophobicContact CB-CD 4.24Å; D256-K260 WeakPolarHBondContact O-CA 3.36Å; D256-K260 VanDerWaalsContact O-CB 3.23Å; D256-K260 WeakPolarHBondContact O-CB 3.48Å; D256-K260 PolarHBondContact O-N 3.12Å; D256-K260 WeakPolarHBondContact OD1-CE 3.3Å; D256-K260 IonicContact OD1-NZ 2.85Å; D256-K260 PolarHBondContact OD1-NZ 3.32Å; D256-K260 IonicContact OD2-NZ 3.96Å; D256-K260 PolarHBondContact OD2-NZ 3.48Å
257	G	98.6	Very high	98	Very high	4 Å²	4	51 Å²	51	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-50.1	176	0	0	0	0	0	112.9	A253 M254 A255 N259 G261 G266 S267 Y269	A253-G257 PolarHBondContact O-N 3.31Å; M254-G257 PolarHBondContact O-N 2.97Å; A255-G257 VanDerWaalsContact C-N 3.35Å; G257-N259 VanDerWaalsContact C-N 3.27Å; G257-N259 PolarHBondContact O-N 3.1Å; G257-G261 VanDerWaalsContact O-CA 3.3Å; G257-G261 WeakPolarHBondContact O-CA 3.05Å; G257-G261 PolarHBondContact O-N 3.13Å; G257-G266 WeakPolarHBondContact O-CA 3.44Å; G257-S267 PolarHBondContact O-N 3.15Å; G257-S267 PolarHBondContact O-OG 3.3Å; G257-Y269 WeakPolarHBondContact CA-OH 3.33Å
258	V	98.4	Very high	98.2	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	25%	0.248	C	C	.	.	H	α-helix	trans	-69.5	-22.4	179.3	-60.6	0	0	0	0	113.5	M254 A255 G266 Y269 W292 W371	M254-V258 PolarHBondContact O-N 3.17Å; A255-V258 VanDerWaalsContact O-CG2 3.31Å; A255-V258 WeakPolarHBondContact O-CG2 3.49Å; V258-G266 WeakPolarHBondContact O-CA 3.27Å; V258-Y269 HydrophobicContact CG1-CD2 4.09Å; V258-Y269 HydrophobicContact CG1-CE2 3.99Å; V258-W292 HydrophobicContact CG1-CB 3.86Å; V258-W292 HydrophobicContact CG1-CG 4.1Å; V258-W292 HydrophobicContact CG2-CG 4.17Å; V258-W371 HydrophobicContact CB-CD2 3.98Å; V258-W371 HydrophobicContact CB-CG 4.03Å; V258-W371 HydrophobicContact CB-CZ2 4.41Å; V258-W371 HydrophobicContact CG1-CD2 4.06Å; V258-W371 HydrophobicContact CG1-CE3 4.37Å; V258-W371 HydrophobicContact CG1-CG 4.21Å; V258-W371 HydrophobicContact CG2-CZ2 4.48Å; V258-W371 VanDerWaalsContact O-CD1 3.23Å; V258-W371 PolarHBondContact O-NE1 3.39Å
259	N	98.1	Very high	98.3	Very high	98 Å²	98	36.8 Å²	36.8	52%	0.524	21%	0.213	S	C	.	.	H	α-helix	trans	-94.9	-31.4	179.9	-71.4	-50.9	0	0	0	113.9	A255 D256 G257	A255-N259 WeakPolarHBondContact O-CB 3.47Å; A255-N259 VanDerWaalsContact O-CG 3.31Å; A255-N259 PolarHBondContact O-N 3.3Å; A255-N259 VanDerWaalsContact O-N 3.16Å; A255-N259 PolarHBondContact O-ND2 3.35Å; D256-N259 PolarHBondContact O-N 2.67Å; G257-N259 VanDerWaalsContact C-N 3.27Å; G257-N259 PolarHBondContact O-N 3.1Å
260	K	98.4	Very high	98.4	Very high	118 Å²	118	33 Å²	33	51%	0.513	19%	0.193	S	C	.	.	H	α-helix	trans	-118.2	-24.7	-170.5	-58.1	168.3	179.7	160	0	112.9	Q225 D256 G264	Q225-K260 PolarHBondContact NE2-O 3.23Å; D256-K260 HydrophobicContact CB-CD 4.24Å; D256-K260 WeakPolarHBondContact O-CA 3.36Å; D256-K260 VanDerWaalsContact O-CB 3.23Å; D256-K260 WeakPolarHBondContact O-CB 3.48Å; D256-K260 PolarHBondContact O-N 3.12Å; D256-K260 WeakPolarHBondContact OD1-CE 3.3Å; D256-K260 IonicContact OD1-NZ 2.85Å; D256-K260 PolarHBondContact OD1-NZ 3.32Å; D256-K260 IonicContact OD2-NZ 3.96Å; D256-K260 PolarHBondContact OD2-NZ 3.48Å; K260-G264 PolarHBondContact O-N 3.4Å
261	G	98.6	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.3	154.6	179.7	0	0	0	0	0	112.8	P224 G257 G263 G264 K265 G266	P224-G261 CarbonylContact O-C 3.56Å; P224-G261 WeakPolarHBondContact O-CA 3.45Å; G257-G261 VanDerWaalsContact O-CA 3.3Å; G257-G261 WeakPolarHBondContact O-CA 3.05Å; G257-G261 PolarHBondContact O-N 3.13Å; G261-G263 PolarHBondContact O-N 3.1Å; G261-G264 CarbonylContact O-C 3.47Å; G261-G264 PolarHBondContact O-N 3.2Å; G261-K265 PolarHBondContact O-N 3.49Å; G261-K265 VanDerWaalsContact O-N 3.13Å; G261-G266 WeakPolarHBondContact O-CA 3.35Å; G261-G266 PolarHBondContact O-N 3.15Å
262	R	98.5	Very high	98.5	Very high	12 Å²	12	29.9 Å²	29.9	5%	0.045	18%	0.178	C	C	.	.	H	α-helix	trans	52.7	38.7	177.3	-59.4	176.5	65.8	-123.7	-8	114	P224 D228 K265 G266 L363 L367 L369	P224-R262 PolarHBondContact O-N 3.06Å; D228-R262 WeakPolarHBondContact O-CD 3.3Å; D228-R262 IonicContact OD1-CZ 3.32Å; D228-R262 IonicContact OD1-NE 2.94Å; D228-R262 PolarHBondContact OD1-NE 3.18Å; D228-R262 IonicContact OD1-NH2 2.76Å; R262-K265 HydrophobicContact CB-CB 4.13Å; R262-K265 WeakPolarHBondContact O-CG 3.22Å; R262-K265 PolarHBondContact O-NZ 3.04Å; R262-K265 VanDerWaalsContact O-NZ 3.16Å; R262-G266 WeakPolarHBondContact CD-O 3.35Å; R262-L363 VanDerWaalsContact NH2-CD2 3.28Å; R262-L367 PolarHBondContact NH2-O 2.75Å; R262-L369 PolarHBondContact NH1-O 3.35Å
263	G	98	Very high	98.4	Very high	62 Å²	62	24.6 Å²	24.6	64%	0.639	15%	0.153	S	C	*	.	H	α-helix	trans	66.9	36.5	-176.3	0	0	0	0	0	113.5	G261	G261-G263 PolarHBondContact O-N 3.1Å
264	G	98.2	Very high	98.2	Very high	48 Å²	48	24.6 Å²	24.6	50%	0.495	15%	0.154	S	C	.	.	H	α-helix	trans	87.6	2.6	-178.9	0	0	0	0	0	115.3	K260 G261 G266	K260-G264 PolarHBondContact O-N 3.4Å; G261-G264 CarbonylContact O-C 3.47Å; G261-G264 PolarHBondContact O-N 3.2Å; G264-G266 VanDerWaalsContact C-N 3.3Å
265	K	98.7	Very high	98	Very high	74 Å²	74	27.2 Å²	27.2	32%	0.322	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-19.6	172	-58.6	-173.1	-158.7	78.7	0	112.6	G261 R262 L367 T370 W371	G261-K265 PolarHBondContact O-N 3.49Å; G261-K265 VanDerWaalsContact O-N 3.13Å; R262-K265 HydrophobicContact CB-CB 4.13Å; R262-K265 WeakPolarHBondContact O-CG 3.22Å; R262-K265 PolarHBondContact O-NZ 3.04Å; R262-K265 VanDerWaalsContact O-NZ 3.16Å; K265-L367 WeakPolarHBondContact CD-O 3.41Å; K265-L367 WeakPolarHBondContact CE-O 3.44Å; K265-T370 CarbonylContact O-C 3.54Å; K265-T370 WeakPolarHBondContact O-CA 3.28Å; K265-T370 WeakPolarHBondContact O-CB 3.29Å; K265-W371 PolarHBondContact O-N 3.13Å
266	G	98.7	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.163	C	C	.	.			trans	90.5	133.4	-179.2	0	0	0	0	0	113	G257 V258 G261 R262 G264	G257-G266 WeakPolarHBondContact O-CA 3.44Å; V258-G266 WeakPolarHBondContact O-CA 3.27Å; G261-G266 WeakPolarHBondContact O-CA 3.35Å; G261-G266 PolarHBondContact O-N 3.15Å; R262-G266 WeakPolarHBondContact CD-O 3.35Å; G264-G266 VanDerWaalsContact C-N 3.3Å
267	S	98.8	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.151	C	C	.	.			trans	-56.2	141.3	166.9	-58.5	0	0	0	0	110.3	G257	G257-S267 PolarHBondContact O-N 3.15Å; G257-S267 PolarHBondContact O-OG 3.3Å
268	I	98.9	Very high	97.3	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.2	173.9	-66.7	158.8	0	0	0	107.9	D228 I229 Y230 V270 I294 F359 L363 W371 M374	D228-I268 PolarHBondContact O-N 2.63Å; D228-I268 VanDerWaalsContact O-N 3.12Å; I229-I268 CarbonylContact C-O 3.51Å; I229-I268 WeakPolarHBondContact CA-O 3.38Å; I229-I268 HydrophobicContact CG1-CB 4.13Å; I229-I268 HydrophobicContact CG1-CD1 4.26Å; I229-I268 HydrophobicContact CG1-CG2 4.39Å; I229-I268 HydrophobicContact CG2-CG2 4.27Å; Y230-I268 PolarHBondContact N-O 3.44Å; I268-V270 HydrophobicContact CG2-CG2 4.12Å; I268-I294 HydrophobicContact CG2-CD1 3.98Å; I268-F359 HydrophobicContact CG2-CD2 4.22Å; I268-L363 HydrophobicContact CD1-CD1 3.94Å; I268-L363 HydrophobicContact CD1-CD2 4.03Å; I268-L363 HydrophobicContact CD1-CG 4.21Å; I268-W371 HydrophobicContact CG1-CB 4.41Å; I268-M374 HydrophobicContact CD1-CB 4.16Å; I268-M374 HydrophobicContact CD1-CE 3.86Å; I268-M374 HydrophobicContact CD1-CG 4.18Å; I268-M374 HydrophobicContact CG1-CB 4.41Å; I268-M374 HydrophobicContact CG2-CG 4.37Å
269	Y	98.9	Very high	97.1	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.8	175.9	-60.7	-70	0	0	0	109.5	I220 Y230 G257 V258 T293 I294	I220-Y269 HydrophobicContact CG2-CE1 3.7Å; I220-Y269 WeakPolarHBondContact CG2-OH 3.42Å; I220-Y269 PolarHBondContact O-OH 2.81Å; Y230-Y269 HydrophobicContact CD1-CE1 4.43Å; Y230-Y269 AromaticContact CD2-CD1 3.97Å; Y230-Y269 HydrophobicContact CD2-CD1 3.97Å; Y230-Y269 AromaticContact CD2-CE1 3.62Å; Y230-Y269 HydrophobicContact CD2-CE1 3.62Å; Y230-Y269 HydrophobicContact CE2-CE1 4.18Å; Y230-Y269 AromaticContact CG-CD1 3.95Å; Y230-Y269 HydrophobicContact CG-CD1 3.95Å; Y230-Y269 AromaticContact CG-CE1 3.77Å; Y230-Y269 HydrophobicContact CG-CE1 3.77Å; G257-Y269 WeakPolarHBondContact CA-OH 3.33Å; V258-Y269 HydrophobicContact CG1-CD2 4.09Å; V258-Y269 HydrophobicContact CG1-CE2 3.99Å; Y269-T293 CarbonylContact O-C 3.54Å; Y269-T293 WeakPolarHBondContact O-CA 3.31Å; Y269-I294 PolarHBondContact O-N 3.3Å
270	V	98.9	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130	176.2	-169.2	0	0	0	0	108.1	I229 Y230 A232 I268 I296 A352 A355 A356 F359	I229-V270 HydrophobicContact CG2-CG2 3.66Å; Y230-V270 PolarHBondContact O-N 3.3Å; A232-V270 PolarHBondContact N-O 2.92Å; I268-V270 HydrophobicContact CG2-CG2 4.12Å; V270-I296 HydrophobicContact CG1-CG1 3.82Å; V270-A352 HydrophobicContact CG1-CB 4.16Å; V270-A352 WeakPolarHBondContact CG1-O 3.48Å; V270-A355 HydrophobicContact CG1-CB 3.97Å; V270-A356 HydrophobicContact CG2-CB 4.18Å; V270-F359 HydrophobicContact CG1-CE2 4.16Å; V270-F359 HydrophobicContact CG2-CD2 3.54Å; V270-F359 HydrophobicContact CG2-CE2 3.65Å
271	W	98.6	Very high	96.9	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.2	-172.6	-131.5	-86.8	0	0	0	111.4	M131 I220 A232 W234 Y287 T293 I294 S295 I296	M131-W271 HydrophobicContact CE-CH2 3.96Å; M131-W271 HydrophobicContact CE-CZ3 3.83Å; I220-W271 HydrophobicContact CD1-CH2 4.13Å; I220-W271 HydrophobicContact CG1-CH2 4.46Å; A232-W271 HydrophobicContact CB-CD2 3.79Å; A232-W271 HydrophobicContact CB-CE3 3.79Å; A232-W271 HydrophobicContact CB-CH2 3.65Å; A232-W271 HydrophobicContact CB-CZ2 3.63Å; A232-W271 HydrophobicContact CB-CZ3 3.73Å; A232-W271 WeakPolarHBondContact O-CA 3.29Å; W234-W271 AromaticContact CD2-CZ2 3.87Å; W234-W271 HydrophobicContact CD2-CZ2 3.87Å; W234-W271 AromaticContact CE2-CZ2 3.71Å; W234-W271 AromaticContact CE3-CZ2 3.81Å; W234-W271 HydrophobicContact CE3-CZ2 3.81Å; W234-W271 AromaticContact CH2-CH2 3.54Å; W234-W271 HydrophobicContact CH2-CH2 3.54Å; W234-W271 AromaticContact CH2-CZ2 3.49Å; W234-W271 HydrophobicContact CH2-CZ2 3.49Å; W234-W271 VanDerWaalsContact CH2-CZ2 3.49Å; W234-W271 AromaticContact CZ2-CH2 3.44Å; W234-W271 HydrophobicContact CZ2-CH2 3.44Å; W234-W271 VanDerWaalsContact CZ2-CH2 3.44Å; W234-W271 AromaticContact CZ2-CZ2 3.53Å; W234-W271 HydrophobicContact CZ2-CZ2 3.53Å; W234-W271 HydrophobicContact CZ3-CH2 4.16Å; W234-W271 AromaticContact CZ3-CZ2 3.64Å; W234-W271 HydrophobicContact CZ3-CZ2 3.64Å; W234-W271 PolarHBondContact O-NE1 3.02Å; W271-Y287 HydrophobicContact CH2-CD1 4.06Å; W271-Y287 AromaticContact CZ2-CD1 3.64Å; W271-Y287 HydrophobicContact CZ2-CD1 3.64Å; W271-Y287 HydrophobicContact CZ2-CE1 4.47Å; W271-Y287 AromaticContact CZ2-CG 3.96Å; W271-Y287 HydrophobicContact CZ2-CG 3.96Å; W271-T293 HydrophobicContact CB-CG2 4.43Å; W271-T293 HydrophobicContact CD2-CG2 4.1Å; W271-T293 HydrophobicContact CE3-CG2 3.59Å; W271-T293 HydrophobicContact CG-CG2 4.46Å; W271-T293 HydrophobicContact CZ3-CG2 4.22Å; W271-I294 PolarHBondContact N-O 3Å; W271-S295 CarbonylContact O-C 3.35Å; W271-S295 WeakPolarHBondContact O-CA 3.27Å; W271-I296 PolarHBondContact O-N 2.92Å
272	A	98.1	Very high	96.9	Very high	5 Å²	5	23.6 Å²	23.6	4%	0.041	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	141.9	166.9	0	0	0	0	0	109.9	A232 T348 A352	A232-A272 PolarHBondContact O-N 3.22Å; A272-T348 WeakPolarHBondContact CB-O 3.42Å; A272-A352 HydrophobicContact CB-CB 4.11Å
273	S	95.4	Very high	96.9	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.151	C	C	.	.			trans	-76.7	-16.7	-177.6	60.2	0	0	0	0	114.8	C282 I296 N297	S273-C282 WeakPolarHBondContact O-CB 3.47Å; S273-I296 PolarHBondContact N-O 3.43Å; S273-N297 WeakPolarHBondContact OG-CA 3.15Å; S273-N297 WeakPolarHBondContact OG-CB 3.24Å; S273-N297 PolarHBondContact OG-OD1 3.03Å
274	G	95.2	Very high	96.9	Very high	7 Å²	7	20.3 Å²	20.3	7%	0.072	12%	0.122	C	C	.	.			trans	115.9	156.2	-179.8	0	0	0	0	0	113.9	T348	G274-T348 PolarHBondContact N-OG1 3.45Å; G274-T348 VanDerWaalsContact O-CG2 3.26Å; G274-T348 WeakPolarHBondContact O-CG2 3.47Å; G274-T348 PolarHBondContact O-OG1 2.84Å
275	D	95.3	Very high	96.9	Very high	55 Å²	55	18.5 Å²	18.5	29%	0.294	10%	0.101	S	C	.	.	S	Bend	trans	-114.8	19.4	-172.1	-69.7	-29.8	0	0	0	113.4	D238 G277 Y308 E310 T348	D238-D275 PolarHBondContact OD2-N 2.91Å; D275-G277 VanDerWaalsContact C-N 3.3Å; D275-G277 PolarHBondContact O-N 3Å; D275-Y308 CarbonylContact C-O 3.57Å; D275-Y308 WeakPolarHBondContact CA-O 3.41Å; D275-Y308 HydrophobicContact CB-CD2 4.45Å; D275-Y308 WeakPolarHBondContact O-CB 3.49Å; D275-Y308 WeakPolarHBondContact OD1-CD2 3.44Å; D275-E310 PolarHBondContact N-OE1 3.3Å; D275-T348 WeakPolarHBondContact OD1-CB 3.46Å; D275-T348 WeakPolarHBondContact OD1-CG2 3.44Å; D275-T348 PolarHBondContact OD1-N 3.36Å; D275-T348 PolarHBondContact OD1-OG1 2.99Å
276	G	94.9	Very high	96.9	Very high	9 Å²	9	15.6 Å²	15.6	9%	0.093	9%	0.092	C	C	.	.			trans	-76.1	-11.6	-177.5	0	0	0	0	0	115.5	Y308 E310	G276-Y308 PolarHBondContact N-O 3.45Å; G276-E310 VanDerWaalsContact CA-OE1 3.3Å; G276-E310 WeakPolarHBondContact CA-OE1 2.98Å; G276-E310 PolarHBondContact N-OE1 2.83Å
277	G	93.6	Very high	96.8	Very high	4 Å²	4	15.9 Å²	15.9	4%	0.041	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	62.9	-157.7	179.3	0	0	0	0	0	113.5	D275 Y279 D280 Y308 D309	D275-G277 VanDerWaalsContact C-N 3.3Å; D275-G277 PolarHBondContact O-N 3Å; G277-Y279 PolarHBondContact O-N 3.4Å; G277-D280 PolarHBondContact O-N 2.86Å; G277-Y308 VanDerWaalsContact CA-C 3.48Å; G277-Y308 VanDerWaalsContact CA-O 3.23Å; G277-Y308 WeakPolarHBondContact CA-O 3.48Å; G277-Y308 PolarHBondContact N-O 3.16Å; G277-D309 CarbonylContact C-O 3.59Å; G277-D309 WeakPolarHBondContact CA-O 3.44Å
278	S	91.4	Very high	96.8	Very high	95 Å²	95	15.9 Å²	15.9	66%	0.664	9%	0.093	S	C	*	.	G	3₁₀ helix	trans	-61.2	-1.6	-179.5	65.7	0	0	0	0	116.3
279	Y	92.8	Very high	96.7	Very high	110 Å²	110	16 Å²	16	43%	0.431	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	-98.2	-13.3	178.5	-56	-57.1	0	0	0	113.3	G240 G277 P505	G240-Y279 VanDerWaalsContact CA-O 3.29Å; G240-Y279 WeakPolarHBondContact CA-O 3.26Å; G277-Y279 PolarHBondContact O-N 3.4Å; Y279-P505 HydrophobicContact CD1-CG 4.3Å
280	D	96.6	Very high	96.7	Very high	9 Å²	9	16.5 Å²	16.5	5%	0.048	10%	0.097	C	C	.	.			trans	-118.3	175.1	178.8	-141.6	-14.1	0	0	0	111.7	N239 G240 G277 E310 R504	N239-D280 PolarHBondContact N-OD2 3.47Å; G240-D280 VanDerWaalsContact CA-OD2 3.25Å; G240-D280 WeakPolarHBondContact CA-OD2 3.33Å; G240-D280 PolarHBondContact N-OD2 3.01Å; G277-D280 PolarHBondContact O-N 2.86Å; D280-E310 HydrophobicContact CB-CG 4.15Å; D280-R504 WeakPolarHBondContact OD1-CD 3.21Å; D280-R504 IonicContact OD1-CZ 3.78Å; D280-R504 IonicContact OD1-NH1 3.77Å; D280-R504 PolarHBondContact OD1-NH1 3.39Å
281	D	97.3	Very high	96.6	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.101	C	C	.	.			trans	-147	117.5	177.6	-172.2	-54.9	0	0	0	108.7	N283 C284 C312 L501 S502 R504	D281-N283 PolarHBondContact O-N 2.96Å; D281-N283 WeakPolarHBondContact OD1-CB 3.32Å; D281-N283 PolarHBondContact OD1-N 3.43Å; D281-C284 WeakPolarHBondContact O-CB 3.23Å; D281-C284 PolarHBondContact O-N 3.21Å; D281-C284 PolarHBondContact O-SG 3.31Å; D281-C312 WeakPolarHBondContact OD1-CB 3.36Å; D281-L501 HydrophobicContact CB-CD1 4.29Å; D281-S502 WeakPolarHBondContact OD2-CB 3.2Å; D281-S502 PolarHBondContact OD2-N 3.22Å; D281-S502 PolarHBondContact OD2-OG 3.33Å; D281-S502 VanDerWaalsContact OD2-OG 3.06Å; D281-R504 HydrophobicContact CB-CG 4.29Å
282	C	97.5	Very high	96.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-67.1	-6.3	-172.8	43.6	0	0	0	0	114.9	S273 C284 D285 E310 C312	S273-C282 WeakPolarHBondContact O-CB 3.47Å; C282-C284 PolarHBondContact O-N 2.94Å; C282-D285 PolarHBondContact O-N 3.14Å; C282-E310 WeakPolarHBondContact CA-OE2 3.38Å; C282-E310 HydrophobicContact CB-CB 3.94Å; C282-E310 PolarHBondContact N-OE2 3.46Å; C282-C312 HydrophobicContact CB-CB 3.95Å; C282-C312 WeakPolarHBondContact CB-SG 3.3Å; C282-C312 WeakPolarHBondContact SG-CB 3.12Å; C282-C312 PolarHBondContact SG-N 3.41Å; C282-C312 CovalentContact SG-SG 2.01Å; C282-C312 PolarHBondContact SG-SG 2.85Å
283	N	98.3	Very high	96.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-72	-7.2	163.5	-86.6	-31.9	0	0	0	113.5	D281 C312 S313 S314 L500 W517 F519 M520	D281-N283 PolarHBondContact O-N 2.96Å; D281-N283 WeakPolarHBondContact OD1-CB 3.32Å; D281-N283 PolarHBondContact OD1-N 3.43Å; N283-C312 HydrophobicContact CB-CB 4.22Å; N283-S313 PolarHBondContact ND2-OG 2.87Å; N283-S314 WeakPolarHBondContact OD1-CB 3.26Å; N283-S314 PolarHBondContact OD1-OG 2.96Å; N283-L500 WeakPolarHBondContact CB-O 3.45Å; N283-L500 PolarHBondContact ND2-O 3.19Å; N283-W517 WeakPolarHBondContact O-CZ2 3.42Å; N283-W517 PolarHBondContact O-NE1 2.88Å; N283-F519 HydrophobicContact CB-CD1 4.03Å; N283-M520 PolarHBondContact ND2-O 3.14Å; N283-M520 PolarHBondContact OD1-O 2.88Å
284	C	98.4	Very high	96.7	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.027	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-89.8	-7.7	171.6	-60.2	0	0	0	0	112.7	V243 D244 D281 C282 R504 W517	V243-C284 WeakPolarHBondContact CA-O 3.11Å; V243-C284 HydrophobicContact CG2-CB 4.07Å; D244-C284 PolarHBondContact N-O 3.23Å; D281-C284 WeakPolarHBondContact O-CB 3.23Å; D281-C284 PolarHBondContact O-N 3.21Å; D281-C284 PolarHBondContact O-SG 3.31Å; C282-C284 PolarHBondContact O-N 2.94Å; C284-R504 VanDerWaalsContact SG-CZ 3.52Å; C284-W517 WeakPolarHBondContact O-CZ2 3.37Å
285	D	98.4	Very high	96.9	Very high	11 Å²	11	19.5 Å²	19.5	6%	0.059	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-96.3	111.3	167.5	174.9	8.1	0	0	0	109.7	P236 C282 Y287 A288 S289	P236-D285 WeakPolarHBondContact CD-OD1 3.42Å; P236-D285 HydrophobicContact CG-CB 4.27Å; C282-D285 PolarHBondContact O-N 3.14Å; D285-Y287 PolarHBondContact O-N 3.23Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.29Å; D285-Y287 WeakPolarHBondContact OD1-CD2 3.43Å; D285-Y287 PolarHBondContact OD1-N 2.79Å; D285-A288 HydrophobicContact CB-CB 4.17Å; D285-A288 VanDerWaalsContact OD2-CB 3.28Å; D285-A288 WeakPolarHBondContact OD2-CB 3.41Å; D285-A288 PolarHBondContact OD2-N 3.32Å; D285-S289 VanDerWaalsContact O-CB 3.25Å; D285-S289 WeakPolarHBondContact O-CB 3.2Å; D285-S289 PolarHBondContact O-N 3.31Å; D285-S289 PolarHBondContact O-OG 2.94Å
286	G	98.1	Very high	97.1	Very high	12 Å²	12	16.9 Å²	16.9	12%	0.124	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.4	178.7	0	0	0	0	0	114.9	D244 P246 S290	D244-G286 PolarHBondContact O-N 3Å; P246-G286 VanDerWaalsContact CD-C 3.46Å; P246-G286 WeakPolarHBondContact CD-O 3.43Å; G286-S290 WeakPolarHBondContact O-CB 3.41Å; G286-S290 PolarHBondContact O-N 3.3Å
287	Y	98.3	Very high	97.1	Very high	7 Å²	7	16.5 Å²	16.5	3%	0.027	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-56.1	173.3	-62.7	-84.9	0	0	0	110.8	E216 W234 P246 T250 W271 D285 S289 S290 T293	E216-Y287 PolarHBondContact OE1-OH 3.38Å; E216-Y287 PolarHBondContact OE2-OH 3.14Å; W234-Y287 HydrophobicContact CH2-CD1 4.25Å; W234-Y287 AromaticContact CH2-CE1 3.89Å; W234-Y287 HydrophobicContact CH2-CE1 3.89Å; W234-Y287 AromaticContact CZ3-CD1 3.89Å; W234-Y287 HydrophobicContact CZ3-CD1 3.89Å; W234-Y287 AromaticContact CZ3-CE1 3.51Å; W234-Y287 HydrophobicContact CZ3-CE1 3.51Å; W234-Y287 HydrophobicContact CZ3-CE2 4.17Å; W234-Y287 HydrophobicContact CZ3-CG 4.38Å; W234-Y287 AromaticContact CZ3-CZ 3.66Å; P246-Y287 HydrophobicContact CB-CD1 4.22Å; P246-Y287 HydrophobicContact CB-CE1 3.65Å; P246-Y287 HydrophobicContact CG-CD1 4.37Å; P246-Y287 HydrophobicContact CG-CE1 4.25Å; T250-Y287 HydrophobicContact CG2-CE1 3.98Å; W271-Y287 HydrophobicContact CH2-CD1 4.06Å; W271-Y287 AromaticContact CZ2-CD1 3.64Å; W271-Y287 HydrophobicContact CZ2-CD1 3.64Å; W271-Y287 HydrophobicContact CZ2-CE1 4.47Å; W271-Y287 AromaticContact CZ2-CG 3.96Å; W271-Y287 HydrophobicContact CZ2-CG 3.96Å; D285-Y287 PolarHBondContact O-N 3.23Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.29Å; D285-Y287 WeakPolarHBondContact OD1-CD2 3.43Å; D285-Y287 PolarHBondContact OD1-N 2.79Å; Y287-S289 VanDerWaalsContact C-N 3.26Å; Y287-S289 PolarHBondContact O-N 2.84Å; Y287-S290 WeakPolarHBondContact O-CB 3.32Å; Y287-S290 PolarHBondContact O-N 2.79Å; Y287-T293 WeakPolarHBondContact O-CG2 3.35Å; Y287-T293 PolarHBondContact O-OG1 3.41Å
288	A	97.4	Very high	97.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.6	176.8	0	0	0	0	0	113.3	D285 S295	D285-A288 HydrophobicContact CB-CB 4.17Å; D285-A288 VanDerWaalsContact OD2-CB 3.28Å; D285-A288 WeakPolarHBondContact OD2-CB 3.41Å; D285-A288 PolarHBondContact OD2-N 3.32Å; A288-S295 WeakPolarHBondContact O-CB 3.22Å
289	S	97.6	Very high	97.3	Very high	4 Å²	4	11.8 Å²	11.8	3%	0.028	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	4.3	176.5	67.8	0	0	0	0	115.2	D285 Y287 M520	D285-S289 VanDerWaalsContact O-CB 3.25Å; D285-S289 WeakPolarHBondContact O-CB 3.2Å; D285-S289 PolarHBondContact O-N 3.31Å; D285-S289 PolarHBondContact O-OG 2.94Å; Y287-S289 VanDerWaalsContact C-N 3.26Å; Y287-S289 PolarHBondContact O-N 2.84Å; S289-M520 WeakPolarHBondContact O-CB 3.48Å; S289-M520 WeakPolarHBondContact O-CE 3.33Å
290	S	98	Very high	97.3	Very high	12 Å²	12	6.9 Å²	6.9	8%	0.084	4%	0.037	C	C	.	.			trans	-68.4	140.3	175.2	-176.3	0	0	0	0	111.6	G286 Y287 W292 T293	G286-S290 WeakPolarHBondContact O-CB 3.41Å; G286-S290 PolarHBondContact O-N 3.3Å; Y287-S290 WeakPolarHBondContact O-CB 3.32Å; Y287-S290 PolarHBondContact O-N 2.79Å; S290-W292 PolarHBondContact O-N 2.82Å; S290-W292 PolarHBondContact OG-N 2.96Å; S290-T293 PolarHBondContact O-N 2.75Å; S290-T293 PolarHBondContact O-OG1 3.33Å; S290-T293 VanDerWaalsContact O-OG1 3.09Å
291	M	97	Very high	97.1	Very high	17 Å²	17	6.7 Å²	6.7	8%	0.084	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.4	172.3	75.9	-178.8	84.9	0	0	112.9	W371 Q375 H471 H557	M291-W371 WeakPolarHBondContact O-CZ3 3.24Å; M291-Q375 PolarHBondContact O-NE2 3.46Å; M291-H471 HydrophobicContact CB-CB 4.16Å; M291-H471 PolarHBondContact O-NE2 3.49Å; M291-H557 WeakPolarHBondContact CE-NE2 3.44Å
292	W	98.3	Very high	96.7	Very high	47 Å²	47	8 Å²	8	18%	0.178	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.3	-177.3	-58.7	-39.9	0	0	0	113.3	L251 M254 A255 V258 S290 W371	L251-W292 HydrophobicContact CD2-CZ3 3.83Å; L251-W292 WeakPolarHBondContact O-CZ3 3.4Å; M254-W292 HydrophobicContact CB-CD2 4.43Å; M254-W292 HydrophobicContact CB-CE3 3.57Å; M254-W292 HydrophobicContact CB-CZ3 4.1Å; M254-W292 HydrophobicContact CE-CB 4.38Å; M254-W292 HydrophobicContact SD-CE3 4.47Å; A255-W292 HydrophobicContact CB-CH2 3.77Å; A255-W292 HydrophobicContact CB-CZ2 3.98Å; A255-W292 HydrophobicContact CB-CZ3 4.17Å; V258-W292 HydrophobicContact CG1-CB 3.86Å; V258-W292 HydrophobicContact CG1-CG 4.1Å; V258-W292 HydrophobicContact CG2-CG 4.17Å; S290-W292 PolarHBondContact O-N 2.82Å; S290-W292 PolarHBondContact OG-N 2.96Å; W292-W371 AromaticContact CD1-CH2 3.91Å
293	T	98.6	Very high	96.5	Very high	6 Å²	6	8 Å²	8	4%	0.037	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	151.2	175.5	58	0	0	0	0	110.2	M254 Y269 W271 Y287 S290 Q375	M254-T293 HydrophobicContact CE-CG2 3.41Å; M254-T293 VanDerWaalsContact CE-CG2 3.41Å; Y269-T293 CarbonylContact O-C 3.54Å; Y269-T293 WeakPolarHBondContact O-CA 3.31Å; W271-T293 HydrophobicContact CB-CG2 4.43Å; W271-T293 HydrophobicContact CD2-CG2 4.1Å; W271-T293 HydrophobicContact CE3-CG2 3.59Å; W271-T293 HydrophobicContact CG-CG2 4.46Å; W271-T293 HydrophobicContact CZ3-CG2 4.22Å; Y287-T293 WeakPolarHBondContact O-CG2 3.35Å; Y287-T293 PolarHBondContact O-OG1 3.41Å; S290-T293 PolarHBondContact O-N 2.75Å; S290-T293 PolarHBondContact O-OG1 3.33Å; S290-T293 VanDerWaalsContact O-OG1 3.09Å; T293-Q375 PolarHBondContact O-NE2 2.88Å
294	I	98.8	Very high	96.2	Very high	5 Å²	5	12.7 Å²	12.7	3%	0.026	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	97.4	166.7	-51.7	-173.1	0	0	0	105.8	I268 Y269 W271 I296 L316 F359 M374 Q375	I268-I294 HydrophobicContact CG2-CD1 3.98Å; Y269-I294 PolarHBondContact O-N 3.3Å; W271-I294 PolarHBondContact N-O 3Å; I294-I296 HydrophobicContact CG2-CD1 3.94Å; I294-I296 HydrophobicContact CG2-CG1 4.48Å; I294-L316 HydrophobicContact CG2-CB 4.31Å; I294-L316 HydrophobicContact CG2-CD2 3.88Å; I294-F359 HydrophobicContact CB-CE2 4.24Å; I294-F359 HydrophobicContact CD1-CD2 4.42Å; I294-F359 HydrophobicContact CD1-CE2 3.84Å; I294-F359 HydrophobicContact CD1-CZ 4.08Å; I294-F359 HydrophobicContact CG2-CE2 4Å; I294-F359 HydrophobicContact CG2-CZ 3.83Å; I294-M374 HydrophobicContact CD1-CB 4.17Å; I294-M374 HydrophobicContact CD1-CG 3.83Å; I294-Q375 HydrophobicContact CD1-CG 3.85Å; I294-Q375 HydrophobicContact CG1-CG 3.72Å
295	S	98.4	Very high	95.7	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.014	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	124.5	179.7	-179.6	0	0	0	0	111	W271 A288 L316	W271-S295 CarbonylContact O-C 3.35Å; W271-S295 WeakPolarHBondContact O-CA 3.27Å; A288-S295 WeakPolarHBondContact O-CB 3.22Å; S295-L316 PolarHBondContact O-N 2.87Å
296	I	98.5	Very high	95.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.5	-173.9	-58.3	-63.7	0	0	0	109.1	V270 W271 S273 I294 A317 T319 A351 A355 F359	V270-I296 HydrophobicContact CG1-CG1 3.82Å; W271-I296 PolarHBondContact O-N 2.92Å; S273-I296 PolarHBondContact N-O 3.43Å; I294-I296 HydrophobicContact CG2-CD1 3.94Å; I294-I296 HydrophobicContact CG2-CG1 4.48Å; I296-A317 WeakPolarHBondContact CA-O 3.4Å; I296-A317 HydrophobicContact CD1-CB 4.12Å; I296-T319 HydrophobicContact CG2-CG2 4.17Å; I296-A351 HydrophobicContact CG2-CB 3.97Å; I296-A355 HydrophobicContact CB-CB 4.42Å; I296-A355 HydrophobicContact CD1-CB 3.83Å; I296-A355 HydrophobicContact CG1-CB 3.62Å; I296-A355 HydrophobicContact CG2-CB 4.11Å; I296-F359 HydrophobicContact CD1-CZ 4.41Å
297	N	96.4	Very high	94.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-179.8	171.4	-154.9	-10.1	0	0	0	110.8	S273 D309 E310 T315 A317 S318 T319 T348 L406	S273-N297 WeakPolarHBondContact OG-CA 3.15Å; S273-N297 WeakPolarHBondContact OG-CB 3.24Å; S273-N297 PolarHBondContact OG-OD1 3.03Å; N297-D309 WeakPolarHBondContact OD1-CB 3.39Å; N297-D309 PolarHBondContact OD1-OD1 2.81Å; N297-D309 VanDerWaalsContact OD1-OD1 3.12Å; N297-E310 PolarHBondContact ND2-O 2.95Å; N297-T315 HydrophobicContact CB-CG2 3.74Å; N297-A317 PolarHBondContact N-O 2.99Å; N297-S318 WeakPolarHBondContact O-CA 3.28Å; N297-S318 VanDerWaalsContact O-CB 3.26Å; N297-S318 WeakPolarHBondContact O-CB 3.04Å; N297-T319 PolarHBondContact O-N 3.05Å; N297-T319 VanDerWaalsContact O-N 3.1Å; N297-T348 WeakPolarHBondContact OD1-CG2 3.35Å; N297-L406 WeakPolarHBondContact CB-O 3.41Å; N297-L406 PolarHBondContact ND2-O 3.06Å
298	S	94.9	Very high	94.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	155.7	-178.2	89.2	0	0	0	0	114.3	Y308 D309 T319	S298-Y308 PolarHBondContact OG-OH 3.31Å; S298-D309 PolarHBondContact OG-OD1 2.97Å; S298-D309 PolarHBondContact OG-OD2 3.31Å; S298-T319 CarbonylContact C-O 3.54Å
299	A	94.6	Very high	94.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.3	163.1	0	0	0	0	0	108.6	T319 F320 S321 L387 F407 V411	A299-T319 PolarHBondContact N-O 2.74Å; A299-F320 HydrophobicContact CB-CD1 4.14Å; A299-F320 HydrophobicContact CB-CE1 4.26Å; A299-F320 WeakPolarHBondContact O-CA 3.37Å; A299-S321 PolarHBondContact O-N 3.25Å; A299-L387 HydrophobicContact CB-CD2 4Å; A299-F407 HydrophobicContact CB-CD1 4.34Å; A299-F407 HydrophobicContact CB-CE1 3.8Å; A299-V411 HydrophobicContact CB-CG2 3.91Å
300	I	92.6	Very high	94	Very high	7 Å²	7	23.9 Å²	23.9	4%	0.036	12%	0.116	C	C	.	.			trans	-91.6	167.1	177	79.6	-167.8	0	0	0	110.5	D302 G303 R304 A306 N322 R324	I300-D302 VanDerWaalsContact CD1-OD1 3.29Å; I300-D302 WeakPolarHBondContact CD1-OD1 3.49Å; I300-D302 WeakPolarHBondContact CG1-OD1 3.44Å; I300-D302 PolarHBondContact O-N 3.42Å; I300-G303 PolarHBondContact O-N 3.08Å; I300-R304 HydrophobicContact CD1-CB 3.74Å; I300-R304 HydrophobicContact CG1-CB 4.05Å; I300-R304 WeakPolarHBondContact CG1-O 3.4Å; I300-R304 PolarHBondContact N-O 3.32Å; I300-A306 HydrophobicContact CG2-CB 3.71Å; I300-N322 WeakPolarHBondContact CA-O 3.43Å; I300-N322 WeakPolarHBondContact CB-O 3.43Å; I300-N322 WeakPolarHBondContact CG2-O 3.32Å; I300-R324 HydrophobicContact CD1-CB 3.58Å; I300-R324 HydrophobicContact CD1-CG 4.14Å
301	N	90.9	Very high	93.8	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.027	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.9	-172.4	70.2	-37.2	0	0	0	116.4	W95 A103 G105 T106 G323 R324	W95-N301 HydrophobicContact CD2-CB 3.78Å; W95-N301 HydrophobicContact CE3-CB 3.73Å; W95-N301 HydrophobicContact CH2-CB 3.53Å; W95-N301 VanDerWaalsContact CH2-N 3.26Å; W95-N301 HydrophobicContact CZ2-CB 3.55Å; W95-N301 HydrophobicContact CZ3-CB 3.64Å; A103-N301 PolarHBondContact O-ND2 2.67Å; G105-N301 CarbonylContact C-O 3.29Å; G105-N301 WeakPolarHBondContact CA-O 3.4Å; G105-N301 PolarHBondContact N-ND2 3.26Å; T106-N301 PolarHBondContact N-O 2.77Å; N301-G323 WeakPolarHBondContact OD1-CA 3.33Å; N301-R324 PolarHBondContact OD1-N 3.02Å
302	D	90	Very high	93.7	Very high	30 Å²	30	23.1 Å²	23.1	16%	0.16	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	8.3	175.6	78.7	-5.1	0	0	0	114.1	I300 R304	I300-D302 VanDerWaalsContact CD1-OD1 3.29Å; I300-D302 WeakPolarHBondContact CD1-OD1 3.49Å; I300-D302 WeakPolarHBondContact CG1-OD1 3.44Å; I300-D302 PolarHBondContact O-N 3.42Å; D302-R304 WeakPolarHBondContact OD1-CB 3.5Å; D302-R304 WeakPolarHBondContact OD1-CD 3.4Å; D302-R304 VanDerWaalsContact OD1-CG 3.32Å; D302-R304 WeakPolarHBondContact OD1-CG 3.41Å; D302-R304 PolarHBondContact OD1-N 3.17Å; D302-R304 IonicContact OD1-NE 2.85Å; D302-R304 WeakPolarHBondContact OD2-CD 3.48Å; D302-R304 IonicContact OD2-NE 3.83Å; D302-R304 PolarHBondContact OD2-NE 3.43Å
303	G	92.3	Very high	93.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	84.1	6.9	175.5	0	0	0	0	0	115.5	L109 I300 Q386 L387 H388	L109-G303 VanDerWaalsContact CD2-N 3.27Å; I300-G303 PolarHBondContact O-N 3.08Å; G303-Q386 WeakPolarHBondContact CA-O 3.43Å; G303-L387 CarbonylContact O-C 3.44Å; G303-L387 VanDerWaalsContact O-CA 3.28Å; G303-L387 WeakPolarHBondContact O-CA 3.04Å; G303-H388 PolarHBondContact O-N 3.46Å
304	R	91.8	Very high	93.7	Very high	97 Å²	97	20.7 Å²	20.7	37%	0.366	10%	0.103	S	C	.	.	B	Isolated β-bridge	trans	-89.2	168.6	172.2	-59.2	168.5	-174.9	-115.7	-9.6	111.2	I300 D302 H388	I300-R304 HydrophobicContact CD1-CB 3.74Å; I300-R304 HydrophobicContact CG1-CB 4.05Å; I300-R304 WeakPolarHBondContact CG1-O 3.4Å; I300-R304 PolarHBondContact N-O 3.32Å; D302-R304 WeakPolarHBondContact OD1-CB 3.5Å; D302-R304 WeakPolarHBondContact OD1-CD 3.4Å; D302-R304 VanDerWaalsContact OD1-CG 3.32Å; D302-R304 WeakPolarHBondContact OD1-CG 3.41Å; D302-R304 PolarHBondContact OD1-N 3.17Å; D302-R304 IonicContact OD1-NE 2.85Å; D302-R304 WeakPolarHBondContact OD2-CD 3.48Å; D302-R304 IonicContact OD2-NE 3.83Å; D302-R304 PolarHBondContact OD2-NE 3.43Å; R304-H388 HydrophobicContact CG-CB 4.24Å
305	T	89.5	Confident	93.7	Very high	41 Å²	41	20.4 Å²	20.4	25%	0.252	10%	0.102	S	C	.	.	P	Polyproline II helix	trans	-74.5	148.9	168.1	177.9	0	0	0	0	110.9	D309 L406	T305-D309 WeakPolarHBondContact CA-OD2 3.38Å; T305-D309 WeakPolarHBondContact OG1-CB 3.09Å; T305-D309 PolarHBondContact OG1-OD2 3Å; T305-L406 HydrophobicContact CG2-CD1 3.96Å
306	A	88.9	Confident	93.7	Very high	6 Å²	6	20.5 Å²	20.5	5%	0.05	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-76.9	156.6	168.5	0	0	0	0	0	111.2	I300 Y308 D309	I300-A306 HydrophobicContact CG2-CB 3.71Å; A306-Y308 HydrophobicContact CB-CD1 4.11Å; A306-Y308 HydrophobicContact CB-CD2 4.08Å; A306-Y308 HydrophobicContact CB-CE1 3.58Å; A306-Y308 HydrophobicContact CB-CE2 3.51Å; A306-Y308 HydrophobicContact CB-CG 4.33Å; A306-Y308 WeakPolarHBondContact CB-OH 3.21Å; A306-Y308 PolarHBondContact O-N 2.71Å; A306-D309 PolarHBondContact N-OD2 3.42Å; A306-D309 PolarHBondContact O-N 2.88Å
307	L	88.8	Confident	93.7	Very high	172 Å²	172	20.5 Å²	20.5	90%	0.901	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.2	-176.1	-69	174.8	0	0	0	113.9
308	Y	90.3	Very high	93.7	Very high	44 Å²	44	20.5 Å²	20.5	17%	0.173	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-9.4	179.3	53.2	-107.7	0	0	0	112.4	D275 G276 G277 S298 A306 E310 S321 N322 G347 T348	D275-Y308 CarbonylContact C-O 3.57Å; D275-Y308 WeakPolarHBondContact CA-O 3.41Å; D275-Y308 HydrophobicContact CB-CD2 4.45Å; D275-Y308 WeakPolarHBondContact O-CB 3.49Å; D275-Y308 WeakPolarHBondContact OD1-CD2 3.44Å; G276-Y308 PolarHBondContact N-O 3.45Å; G277-Y308 VanDerWaalsContact CA-C 3.48Å; G277-Y308 VanDerWaalsContact CA-O 3.23Å; G277-Y308 WeakPolarHBondContact CA-O 3.48Å; G277-Y308 PolarHBondContact N-O 3.16Å; S298-Y308 PolarHBondContact OG-OH 3.31Å; A306-Y308 HydrophobicContact CB-CD1 4.11Å; A306-Y308 HydrophobicContact CB-CD2 4.08Å; A306-Y308 HydrophobicContact CB-CE1 3.58Å; A306-Y308 HydrophobicContact CB-CE2 3.51Å; A306-Y308 HydrophobicContact CB-CG 4.33Å; A306-Y308 WeakPolarHBondContact CB-OH 3.21Å; A306-Y308 PolarHBondContact O-N 2.71Å; Y308-E310 PolarHBondContact O-N 2.01Å; Y308-S321 VanDerWaalsContact OH-CB 3.28Å; Y308-S321 WeakPolarHBondContact OH-CB 3.37Å; Y308-S321 PolarHBondContact OH-OG 3.33Å; Y308-N322 WeakPolarHBondContact CE1-OD1 3.33Å; Y308-N322 PolarHBondContact OH-OD1 3.23Å; Y308-G347 VanDerWaalsContact CE2-CA 3.48Å; Y308-G347 VanDerWaalsContact CZ-CA 3.46Å; Y308-G347 PolarHBondContact OH-N 2.61Å; Y308-T348 HydrophobicContact CD2-CG2 4.27Å; Y308-T348 HydrophobicContact CE2-CG2 4.15Å
309	D	91.4	Very high	93.9	Very high	6 Å²	6	20.5 Å²	20.5	3%	0.032	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-62.8	131.5	-177.6	-67.8	-21.7	0	0	0	110.8	G277 N297 S298 T305 A306 L406	G277-D309 CarbonylContact C-O 3.59Å; G277-D309 WeakPolarHBondContact CA-O 3.44Å; N297-D309 WeakPolarHBondContact OD1-CB 3.39Å; N297-D309 PolarHBondContact OD1-OD1 2.81Å; N297-D309 VanDerWaalsContact OD1-OD1 3.12Å; S298-D309 PolarHBondContact OG-OD1 2.97Å; S298-D309 PolarHBondContact OG-OD2 3.31Å; T305-D309 WeakPolarHBondContact CA-OD2 3.38Å; T305-D309 WeakPolarHBondContact OG1-CB 3.09Å; T305-D309 PolarHBondContact OG1-OD2 3Å; A306-D309 PolarHBondContact N-OD2 3.42Å; A306-D309 PolarHBondContact O-N 2.88Å; D309-L406 HydrophobicContact CB-CD2 4.1Å
310	E	94.2	Very high	93.9	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.019	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-86.2	142.6	169.4	-64.9	-173.2	-149.2	0	0	110.9	D275 G276 D280 C282 N297 Y308	D275-E310 PolarHBondContact N-OE1 3.3Å; G276-E310 VanDerWaalsContact CA-OE1 3.3Å; G276-E310 WeakPolarHBondContact CA-OE1 2.98Å; G276-E310 PolarHBondContact N-OE1 2.83Å; D280-E310 HydrophobicContact CB-CG 4.15Å; C282-E310 WeakPolarHBondContact CA-OE2 3.38Å; C282-E310 HydrophobicContact CB-CB 3.94Å; C282-E310 PolarHBondContact N-OE2 3.46Å; N297-E310 PolarHBondContact ND2-O 2.95Å; Y308-E310 PolarHBondContact O-N 2.01Å
311	S	93.9	Very high	94	Very high	12 Å²	12	20.2 Å²	20.2	8%	0.084	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-102.3	132.8	174.1	71.6	0	0	0	0	110	H392 H405	S311-H392 VanDerWaalsContact CB-NE2 3.32Å; S311-H392 WeakPolarHBondContact CB-NE2 3.5Å; S311-H392 PolarHBondContact OG-CE1 3.33Å; S311-H392 VanDerWaalsContact OG-CE1 3.29Å; S311-H392 PolarHBondContact OG-NE2 2.8Å; S311-H405 WeakPolarHBondContact CA-O 3.41Å
312	C	94.8	Very high	93.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.007	11%	0.109	C	C	.	.			trans	-159.2	167.1	170.3	58.4	0	0	0	0	110.8	D281 C282 N283 S314 T315 H405	D281-C312 WeakPolarHBondContact OD1-CB 3.36Å; C282-C312 HydrophobicContact CB-CB 3.95Å; C282-C312 WeakPolarHBondContact CB-SG 3.3Å; C282-C312 WeakPolarHBondContact SG-CB 3.12Å; C282-C312 PolarHBondContact SG-N 3.41Å; C282-C312 CovalentContact SG-SG 2.01Å; C282-C312 PolarHBondContact SG-SG 2.85Å; N283-C312 HydrophobicContact CB-CB 4.22Å; C312-S314 VanDerWaalsContact C-N 3.3Å; C312-S314 PolarHBondContact SG-OG 3.33Å; C312-T315 PolarHBondContact SG-OG1 3.12Å; C312-T315 VanDerWaalsContact SG-OG1 3.42Å; C312-H405 PolarHBondContact N-O 3.4Å; C312-H405 VanDerWaalsContact O-O 3.06Å
313	S	98.3	Very high	93.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-82.2	-5.7	178.9	54.6	0	0	0	0	114.6	N283 I499 L500 M520 T521 T522 H523	N283-S313 PolarHBondContact ND2-OG 2.87Å; S313-I499 WeakPolarHBondContact CB-O 3.47Å; S313-I499 PolarHBondContact OG-O 2.96Å; S313-L500 WeakPolarHBondContact OG-CD2 3.43Å; S313-M520 CarbonylContact C-O 3.02Å; S313-M520 PolarHBondContact OG-O 2.73Å; S313-T521 CarbonylContact O-C 3.48Å; S313-T521 VanDerWaalsContact O-CA 3.3Å; S313-T521 WeakPolarHBondContact O-CA 3.4Å; S313-T522 PolarHBondContact O-N 3.01Å; S313-T522 PolarHBondContact O-OG1 3.43Å; S313-H523 VanDerWaalsContact CA-CE1 3.5Å; S313-H523 WeakPolarHBondContact CA-CE1 3.35Å
314	S	98.1	Very high	92.2	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.014	13%	0.13	C	C	.	.	S	Bend	trans	-84.1	-24.8	177.4	52.6	0	0	0	0	114	N283 C312 L316 T522	N283-S314 WeakPolarHBondContact OD1-CB 3.26Å; N283-S314 PolarHBondContact OD1-OG 2.96Å; C312-S314 VanDerWaalsContact C-N 3.3Å; C312-S314 PolarHBondContact SG-OG 3.33Å; S314-L316 PolarHBondContact O-N 2.91Å; S314-T522 WeakPolarHBondContact O-CG2 3.2Å
315	T	98.2	Very high	91.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.			trans	-55.7	125.9	178.1	-59.5	0	0	0	0	111.1	N297 C312 A317 G408 T522	N297-T315 HydrophobicContact CB-CG2 3.74Å; C312-T315 PolarHBondContact SG-OG1 3.12Å; C312-T315 VanDerWaalsContact SG-OG1 3.42Å; T315-A317 WeakPolarHBondContact CG2-O 3.46Å; T315-G408 WeakPolarHBondContact O-CA 3.31Å; T315-T522 PolarHBondContact O-OG1 2.75Å
316	L	98.6	Very high	90.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	17%	0.174	C	C	.	.			trans	-92.4	-39.3	-177.9	-161	70.3	0	0	0	111.9	I294 S295 S314 Q375 T378 V379 Y409 T522 W525	I294-L316 HydrophobicContact CG2-CB 4.31Å; I294-L316 HydrophobicContact CG2-CD2 3.88Å; S295-L316 PolarHBondContact O-N 2.87Å; S314-L316 PolarHBondContact O-N 2.91Å; L316-Q375 HydrophobicContact CD2-CB 3.85Å; L316-Q375 HydrophobicContact CD2-CG 3.92Å; L316-T378 HydrophobicContact CB-CG2 4.5Å; L316-T378 HydrophobicContact CD2-CG2 3.71Å; L316-T378 HydrophobicContact CG-CG2 3.95Å; L316-V379 HydrophobicContact CD1-CG2 3.6Å; L316-V379 HydrophobicContact CD2-CG2 4.4Å; L316-V379 HydrophobicContact CG-CG2 4.09Å; L316-Y409 HydrophobicContact CD1-CD2 4.23Å; L316-Y409 HydrophobicContact CD1-CE2 4.25Å; L316-Y409 WeakPolarHBondContact O-CD2 3.09Å; L316-Y409 PolarHBondContact O-N 2.53Å; L316-T522 HydrophobicContact CD1-CG2 3.77Å; L316-W525 HydrophobicContact CD1-CE3 4.13Å; L316-W525 HydrophobicContact CD1-CZ3 3.96Å
317	A	98.4	Very high	90	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-177.6	-178.4	0	0	0	0	0	111.4	I296 N297 T315 T378 G410 L412	I296-A317 WeakPolarHBondContact CA-O 3.4Å; I296-A317 HydrophobicContact CD1-CB 4.12Å; N297-A317 PolarHBondContact N-O 2.99Å; T315-A317 WeakPolarHBondContact CG2-O 3.46Å; A317-T378 HydrophobicContact CB-CG2 3.49Å; A317-T378 VanDerWaalsContact CB-CG2 3.49Å; A317-G410 WeakPolarHBondContact CA-O 3.49Å; A317-G410 WeakPolarHBondContact CB-O 3.35Å; A317-L412 HydrophobicContact CB-CD2 3.76Å; A317-L412 HydrophobicContact CB-CG 4.4Å
318	S	97.9	Very high	89.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	162.9	170.1	-57.9	0	0	0	0	112.3	N297 F407 G410 V411 L412	N297-S318 WeakPolarHBondContact O-CA 3.28Å; N297-S318 VanDerWaalsContact O-CB 3.26Å; N297-S318 WeakPolarHBondContact O-CB 3.04Å; S318-F407 VanDerWaalsContact OG-CA 3.29Å; S318-F407 WeakPolarHBondContact OG-CA 2.97Å; S318-G410 PolarHBondContact N-O 3.33Å; S318-V411 CarbonylContact O-C 3.58Å; S318-V411 WeakPolarHBondContact O-CA 3.47Å; S318-L412 PolarHBondContact O-N 3.21Å
319	T	97.6	Very high	89.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	-153.6	162.7	54.1	0	0	0	0	107.4	L111 I296 N297 S298 A299 A351 E354 A355 L412	L111-T319 HydrophobicContact CD2-CG2 3.8Å; I296-T319 HydrophobicContact CG2-CG2 4.17Å; N297-T319 PolarHBondContact O-N 3.05Å; N297-T319 VanDerWaalsContact O-N 3.1Å; S298-T319 CarbonylContact C-O 3.54Å; A299-T319 PolarHBondContact N-O 2.74Å; T319-A351 WeakPolarHBondContact OG1-CA 3.47Å; T319-A351 WeakPolarHBondContact OG1-CB 3.22Å; T319-A351 PolarHBondContact OG1-O 3.27Å; T319-E354 WeakPolarHBondContact CB-OE2 3.36Å; T319-E354 HydrophobicContact CG2-CB 4.22Å; T319-A355 HydrophobicContact CG2-CB 3.8Å; T319-L412 HydrophobicContact CG2-CB 4.13Å; T319-L412 HydrophobicContact CG2-CD1 3.61Å; T319-L412 HydrophobicContact CG2-CG 3.81Å
320	F	96	Very high	89.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	164.1	-175.5	-60.8	-72.5	0	0	0	112.4	W95 L109 D110 L111 A299 A351 E354 V411	W95-F320 HydrophobicContact CH2-CB 3.5Å; W95-F320 VanDerWaalsContact CH2-CB 3.5Å; W95-F320 AromaticContact CH2-CD1 3.54Å; W95-F320 HydrophobicContact CH2-CD1 3.54Å; W95-F320 AromaticContact CH2-CG 3.73Å; W95-F320 HydrophobicContact CH2-CG 3.73Å; W95-F320 HydrophobicContact CZ2-CB 4.26Å; W95-F320 HydrophobicContact CZ3-CB 3.81Å; W95-F320 AromaticContact CZ3-CD1 3.35Å; W95-F320 HydrophobicContact CZ3-CD1 3.35Å; W95-F320 HydrophobicContact CZ3-CD2 4.39Å; W95-F320 AromaticContact CZ3-CE1 3.97Å; W95-F320 HydrophobicContact CZ3-CE1 3.97Å; W95-F320 AromaticContact CZ3-CG 3.56Å; W95-F320 HydrophobicContact CZ3-CG 3.56Å; L109-F320 HydrophobicContact CD1-CE1 3.94Å; L109-F320 HydrophobicContact CD1-CZ 3.92Å; L109-F320 HydrophobicContact CD2-CE1 4.28Å; L109-F320 HydrophobicContact CG-CE1 3.69Å; L109-F320 HydrophobicContact CG-CZ 3.9Å; D110-F320 VanDerWaalsContact CA-CE2 3.43Å; L111-F320 HydrophobicContact CD2-CD2 3.95Å; L111-F320 HydrophobicContact CD2-CE2 3.98Å; L111-F320 HydrophobicContact CG-CD2 3.88Å; L111-F320 HydrophobicContact CG-CE2 3.99Å; A299-F320 HydrophobicContact CB-CD1 4.14Å; A299-F320 HydrophobicContact CB-CE1 4.26Å; A299-F320 WeakPolarHBondContact O-CA 3.37Å; F320-A351 WeakPolarHBondContact O-CA 3.33Å; F320-E354 WeakPolarHBondContact CB-OE2 3.28Å; F320-E354 PolarHBondContact N-OE2 2.84Å; F320-V411 HydrophobicContact CD2-CG1 4.41Å; F320-V411 HydrophobicContact CE1-CG1 4.29Å; F320-V411 HydrophobicContact CE1-CG2 4.33Å; F320-V411 HydrophobicContact CE2-CG1 3.56Å; F320-V411 HydrophobicContact CZ-CB 4.44Å; F320-V411 HydrophobicContact CZ-CG1 3.54Å; F320-V411 HydrophobicContact CZ-CG2 4.33Å
321	S	93.3	Very high	89.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.168	C	C	.	.			trans	-146.6	-128.3	173	-174.9	0	0	0	0	109.2	W95 A299 Y308 V332 S346 G347	W95-S321 WeakPolarHBondContact CZ2-O 3.28Å; A299-S321 PolarHBondContact O-N 3.25Å; Y308-S321 VanDerWaalsContact OH-CB 3.28Å; Y308-S321 WeakPolarHBondContact OH-CB 3.37Å; Y308-S321 PolarHBondContact OH-OG 3.33Å; S321-V332 VanDerWaalsContact C-CG2 3.44Å; S321-V332 WeakPolarHBondContact O-CG2 3.22Å; S321-S346 WeakPolarHBondContact OG-CA 3.39Å; S321-G347 WeakPolarHBondContact CB-O 3.21Å; S321-G347 PolarHBondContact OG-N 3.24Å; S321-G347 PolarHBondContact OG-O 3.34Å
322	N	85.9	Confident	89.3	Confident	40 Å²	40	37 Å²	37	21%	0.214	16%	0.164	C	C	.	.			trans	-84.1	160.7	177.1	65	-94.7	0	0	0	113.5	I300 Y308 A330 S346	I300-N322 WeakPolarHBondContact CA-O 3.43Å; I300-N322 WeakPolarHBondContact CB-O 3.43Å; I300-N322 WeakPolarHBondContact CG2-O 3.32Å; Y308-N322 WeakPolarHBondContact CE1-OD1 3.33Å; Y308-N322 PolarHBondContact OH-OD1 3.23Å; N322-A330 CarbonylContact C-O 3.57Å; N322-S346 WeakPolarHBondContact OD1-CB 3.38Å
323	G	78	Confident	89.4	Confident	3 Å²	3	37 Å²	37	3%	0.031	16%	0.164	C	C	.	.			trans	-79.2	167.9	173	0	0	0	0	0	114	N301 K325 A330	N301-G323 WeakPolarHBondContact OD1-CA 3.33Å; G323-K325 PolarHBondContact O-N 2.81Å; G323-A330 PolarHBondContact N-O 2.84Å
324	R	72.1	Confident	89.4	Confident	153 Å²	153	37.1 Å²	37.1	58%	0.577	17%	0.165	S	C	*	.	S	Bend	trans	-63.3	-43.6	-175.9	-173.5	176.9	163	176.4	-1.2	113.9	I300 N301	I300-R324 HydrophobicContact CD1-CB 3.58Å; I300-R324 HydrophobicContact CD1-CG 4.14Å; N301-R324 PolarHBondContact OD1-N 3.02Å
325	K	70.8	Confident	89.4	Confident	129 Å²	129	37 Å²	37	56%	0.561	16%	0.164	S	C	*	.	S	Bend	trans	-84.9	154.5	-177.7	-67.1	179.2	-173.5	167.2	0	108.4	D104 G323 N327	D104-K325 IonicContact OD2-NZ 3.45Å; D104-K325 PolarHBondContact OD2-NZ 2.97Å; G323-K325 PolarHBondContact O-N 2.81Å; K325-N327 HydrophobicContact CB-CB 4.35Å; K325-N327 PolarHBondContact O-N 3.03Å
326	R	72.9	Confident	89.4	Confident	260 Å²	260	37.7 Å²	37.7	98%	0.981	17%	0.167	S	C	*	.	S	Bend	trans	-69.8	40.9	166.5	-63.7	-175.9	178.7	-176.9	-1.4	111.9	P328	R326-P328 WeakPolarHBondContact O-CD 3.45Å
327	N	81.4	Confident	89.2	Confident	53 Å²	53	37.5 Å²	37.5	28%	0.283	17%	0.167	S	C	.	.			trans	-86.7	112.5	168.8	-179.1	3.8	0	0	0	106.8	K325 E329 A330	K325-N327 HydrophobicContact CB-CB 4.35Å; K325-N327 PolarHBondContact O-N 3.03Å; N327-E329 PolarHBondContact O-N 3.2Å; N327-E329 VanDerWaalsContact O-N 3.14Å; N327-E329 PolarHBondContact OD1-N 3.49Å; N327-A330 HydrophobicContact CB-CB 4.32Å; N327-A330 WeakPolarHBondContact O-CB 3.46Å; N327-A330 PolarHBondContact O-N 3.06Å
328	P	83.1	Confident	89	Confident	50 Å²	50	41 Å²	41	33%	0.325	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-56.4	-29	177.5	-24.3	35.1	0	0	0	112.6	R326 A330 G331 L343	R326-P328 WeakPolarHBondContact O-CD 3.45Å; P328-A330 PolarHBondContact O-N 2.76Å; P328-G331 PolarHBondContact O-N 2.81Å; P328-G331 VanDerWaalsContact O-N 3.08Å; P328-L343 WeakPolarHBondContact O-CB 3.45Å
329	E	86.3	Confident	88.8	Confident	74 Å²	74	42.4 Å²	42.4	35%	0.346	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-70.8	-8.7	177.9	-55.3	-156.5	148.8	0	0	114.1	K93 A103 N327	K93-E329 WeakPolarHBondContact CE-OE1 2.99Å; K93-E329 IonicContact NZ-OE1 3.76Å; K93-E329 PolarHBondContact NZ-OE1 3.16Å; K93-E329 IonicContact NZ-OE2 2.85Å; K93-E329 PolarHBondContact NZ-OE2 3.17Å; A103-E329 HydrophobicContact CB-CB 4.15Å; A103-E329 WeakPolarHBondContact CB-O 3.46Å; N327-E329 PolarHBondContact O-N 3.2Å; N327-E329 VanDerWaalsContact O-N 3.14Å; N327-E329 PolarHBondContact OD1-N 3.49Å
330	A	86.9	Confident	88.7	Confident	2 Å²	2	46.3 Å²	46.3	2%	0.017	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-96.9	-2.7	172.9	0	0	0	0	0	112.4	W95 A103 N322 G323 N327 P328	W95-A330 PolarHBondContact NE1-O 2.94Å; A103-A330 HydrophobicContact CB-CB 3.81Å; N322-A330 CarbonylContact C-O 3.57Å; G323-A330 PolarHBondContact N-O 2.84Å; N327-A330 HydrophobicContact CB-CB 4.32Å; N327-A330 WeakPolarHBondContact O-CB 3.46Å; N327-A330 PolarHBondContact O-N 3.06Å; P328-A330 PolarHBondContact O-N 2.76Å
331	G	90.9	Very high	88.8	Confident	7 Å²	7	49 Å²	49	7%	0.072	24%	0.235	C	C	.	.	S	Bend	trans	-76.3	-179.8	173.6	0	0	0	0	0	112.2	W95 P328 A333 L343	W95-G331 PolarHBondContact NE1-O 2.7Å; P328-G331 PolarHBondContact O-N 2.81Å; P328-G331 VanDerWaalsContact O-N 3.08Å; G331-A333 PolarHBondContact O-N 2.77Å; G331-L343 CarbonylContact C-O 3.59Å; G331-L343 VanDerWaalsContact CA-O 3.24Å; G331-L343 WeakPolarHBondContact CA-O 3.33Å
332	V	95.4	Very high	88.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117.8	173.3	-179.7	0	0	0	0	109.3	Y96 E180 S321 L343 H345 A350	Y96-V332 HydrophobicContact CD1-CG1 4.27Å; Y96-V332 HydrophobicContact CE1-CB 4.37Å; Y96-V332 HydrophobicContact CE1-CG1 3.61Å; E180-V332 HydrophobicContact CG-CG1 3.82Å; E180-V332 WeakPolarHBondContact OE2-CG1 3.27Å; S321-V332 VanDerWaalsContact C-CG2 3.44Å; S321-V332 WeakPolarHBondContact O-CG2 3.22Å; V332-L343 CarbonylContact O-C 3.51Å; V332-H345 HydrophobicContact CB-CB 4.11Å; V332-H345 PolarHBondContact N-O 3.33Å; V332-H345 PolarHBondContact O-N 2.81Å; V332-A350 HydrophobicContact CB-CB 4.34Å; V332-A350 HydrophobicContact CG2-CB 3.86Å
333	A	97.1	Very high	89.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.9	175.2	0	0	0	0	0	110.5	L90 K93 Q94 Y96 G331 T342 L343	L90-A333 HydrophobicContact CB-CB 4.36Å; L90-A333 HydrophobicContact CD1-CB 4.44Å; K93-A333 HydrophobicContact CB-CB 4.37Å; Q94-A333 HydrophobicContact CG-CB 3.69Å; Q94-A333 PolarHBondContact NE2-O 3.41Å; Y96-A333 PolarHBondContact OH-O 3.19Å; G331-A333 PolarHBondContact O-N 2.77Å; A333-T342 CarbonylContact C-O 3.53Å; A333-T342 VanDerWaalsContact CA-O 3.26Å; A333-T342 WeakPolarHBondContact CA-O 3.25Å; A333-L343 HydrophobicContact CB-CD2 3.38Å
334	T	98.4	Very high	90	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	-178.9	-176.3	-172.2	0	0	0	0	111.6	R176 G179 E180 C341 T342 H345	R176-T334 HydrophobicContact CB-CG2 3.73Å; R176-T334 HydrophobicContact CG-CG2 4.04Å; R176-T334 PolarHBondContact O-OG1 3.01Å; G179-T334 VanDerWaalsContact C-OG1 3.3Å; G179-T334 VanDerWaalsContact CA-OG1 3.3Å; G179-T334 WeakPolarHBondContact CA-OG1 3.27Å; E180-T334 HydrophobicContact CG-CG2 4.31Å; E180-T334 PolarHBondContact N-OG1 3.33Å; E180-T334 VanDerWaalsContact N-OG1 3.14Å; T334-C341 WeakPolarHBondContact O-CA 3.18Å; T334-T342 HydrophobicContact CG2-CG2 3.8Å; T334-T342 PolarHBondContact N-O 3.35Å; T334-T342 PolarHBondContact O-N 2.95Å; T334-H345 HydrophobicContact CG2-CB 3.94Å
335	T	98.5	Very high	91.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	156	172.6	52.7	0	0	0	0	112	H139 D141 L142 T175 R176 G179 A183 C190	H139-T335 WeakPolarHBondContact CE1-CG2 3.43Å; D141-T335 HydrophobicContact CB-CG2 3.73Å; L142-T335 HydrophobicContact CD2-CG2 4.47Å; L142-T335 HydrophobicContact CG-CG2 4.31Å; T175-T335 PolarHBondContact O-OG1 2.82Å; R176-T335 WeakPolarHBondContact CA-O 3.34Å; R176-T335 WeakPolarHBondContact CG-O 3.33Å; G179-T335 WeakPolarHBondContact CA-OG1 3.15Å; G179-T335 PolarHBondContact N-OG1 2.74Å; A183-T335 HydrophobicContact CB-CG2 4.29Å; C190-T335 HydrophobicContact CB-CG2 4.49Å
336	D	97.6	Very high	92.1	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.07	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	167	176.5	-156.6	1.2	0	0	0	109.9	H139 S172 R176 N340 T342	H139-D336 PolarHBondContact CD2-O 2.85Å; H139-D336 PolarHBondContact NE2-O 2.78Å; S172-D336 WeakPolarHBondContact CB-OD1 3.46Å; R176-D336 IonicContact CZ-OD1 3.99Å; R176-D336 IonicContact CZ-OD2 3.63Å; R176-D336 IonicContact NE-OD1 3.43Å; R176-D336 PolarHBondContact NE-OD1 2.87Å; R176-D336 IonicContact NE-OD2 3.72Å; R176-D336 IonicContact NH2-OD1 2.91Å; R176-D336 PolarHBondContact NH2-OD1 3.13Å; R176-D336 IonicContact NH2-OD2 2.74Å; R176-D336 PolarHBondContact NH2-OD2 2.94Å; D336-N340 WeakPolarHBondContact CA-O 3.35Å; D336-N340 HydrophobicContact CB-CB 4.14Å; D336-N340 PolarHBondContact N-O 3.31Å; D336-N340 PolarHBondContact O-N 3.33Å; D336-N340 VanDerWaalsContact O-O 3.11Å; D336-T342 HydrophobicContact CB-CG2 4.19Å
337	L	95.8	Very high	92.9	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	147.4	-174.1	-63.4	175.6	0	0	0	113.6	D136 P163 W169 T175 N340	D136-L337 HydrophobicContact CB-CD2 4.23Å; P163-L337 HydrophobicContact CB-CD2 3.75Å; P163-L337 HydrophobicContact CG-CD2 3.63Å; W169-L337 HydrophobicContact CG-CD1 4.23Å; T175-L337 HydrophobicContact CG2-CD2 4.41Å; T175-L337 WeakPolarHBondContact OG1-CD2 3.49Å; L337-N340 WeakPolarHBondContact O-CB 3.3Å; L337-N340 PolarHBondContact O-N 2.78Å; L337-N340 PolarHBondContact O-ND2 2.7Å
338	Y	92.6	Very high	93.4	Very high	72 Å²	72	33.1 Å²	33.1	28%	0.282	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	39.5	172.2	-37.7	-57.3	0	0	0	113.2	D136 Y165 W169 N340	D136-Y338 WeakPolarHBondContact OD2-CA 3.4Å; D136-Y338 PolarHBondContact OD2-N 3.05Å; Y165-Y338 WeakPolarHBondContact CA-OH 3.19Å; Y165-Y338 HydrophobicContact CD2-CE1 4.08Å; Y165-Y338 HydrophobicContact CD2-CE2 4.05Å; Y165-Y338 AromaticContact CD2-CZ 3.49Å; Y165-Y338 VanDerWaalsContact CD2-CZ 3.49Å; Y165-Y338 WeakPolarHBondContact CD2-OH 3.5Å; Y165-Y338 HydrophobicContact CE2-CE2 4.11Å; W169-Y338 HydrophobicContact CD2-CE2 4.3Å; W169-Y338 AromaticContact CE2-CE2 3.89Å; W169-Y338 HydrophobicContact CE3-CE2 4.32Å; W169-Y338 AromaticContact CH2-CD2 3.57Å; W169-Y338 HydrophobicContact CH2-CD2 3.57Å; W169-Y338 AromaticContact CH2-CE2 3.58Å; W169-Y338 HydrophobicContact CH2-CE2 3.58Å; W169-Y338 AromaticContact CZ2-CD2 3.35Å; W169-Y338 HydrophobicContact CZ2-CD2 3.35Å; W169-Y338 AromaticContact CZ2-CE2 3.56Å; W169-Y338 HydrophobicContact CZ2-CE2 3.56Å; W169-Y338 HydrophobicContact CZ3-CD2 4.41Å; W169-Y338 AromaticContact CZ3-CE2 3.97Å; W169-Y338 HydrophobicContact CZ3-CE2 3.97Å; Y338-N340 VanDerWaalsContact C-N 3.28Å; Y338-N340 PolarHBondContact O-N 2.85Å
339	G	93.4	Very high	93.8	Very high	31 Å²	31	31.4 Å²	31.4	32%	0.32	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	16.2	179.4	0	0	0	0	0	114.6	H139	H139-G339 WeakPolarHBondContact CD2-CA 3.47Å; H139-G339 WeakPolarHBondContact NE2-CA 3.34Å
340	N	97.1	Very high	94.2	Very high	81 Å²	81	27.9 Å²	27.9	43%	0.433	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	169	179.1	-69.5	-58.6	0	0	0	111.6	H139 D336 L337 Y338	H139-N340 PolarHBondContact NE2-O 3.11Å; D336-N340 WeakPolarHBondContact CA-O 3.35Å; D336-N340 HydrophobicContact CB-CB 4.14Å; D336-N340 PolarHBondContact N-O 3.31Å; D336-N340 PolarHBondContact O-N 3.33Å; D336-N340 VanDerWaalsContact O-O 3.11Å; L337-N340 WeakPolarHBondContact O-CB 3.3Å; L337-N340 PolarHBondContact O-N 2.78Å; L337-N340 PolarHBondContact O-ND2 2.7Å; Y338-N340 VanDerWaalsContact C-N 3.28Å; Y338-N340 PolarHBondContact O-N 2.85Å
341	C	97.6	Very high	94.7	Very high	58 Å²	58	27.8 Å²	27.8	39%	0.392	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.8	172.2	-35.8	0	0	0	0	109.6	L90 C190 T334	L90-C341 HydrophobicContact CD1-CB 3.49Å; L90-C341 VanDerWaalsContact CD1-CB 3.49Å; L90-C341 HydrophobicContact CG-CB 4.49Å; C190-C341 WeakPolarHBondContact CA-SG 3.27Å; C190-C341 HydrophobicContact CB-CB 3.74Å; C190-C341 WeakPolarHBondContact CB-SG 3.21Å; C190-C341 WeakPolarHBondContact SG-CB 3.35Å; C190-C341 CovalentContact SG-SG 2.02Å; C190-C341 PolarHBondContact SG-SG 2.85Å; T334-C341 WeakPolarHBondContact O-CA 3.18Å
342	T	96.1	Very high	95.1	Very high	15 Å²	15	27.4 Å²	27.4	9%	0.092	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	152.5	177.4	-171.3	0	0	0	0	111.4	R176 A333 T334 D336 R344 H345	R176-T342 HydrophobicContact CG-CG2 4.02Å; A333-T342 CarbonylContact C-O 3.53Å; A333-T342 VanDerWaalsContact CA-O 3.26Å; A333-T342 WeakPolarHBondContact CA-O 3.25Å; T334-T342 HydrophobicContact CG2-CG2 3.8Å; T334-T342 PolarHBondContact N-O 3.35Å; T334-T342 PolarHBondContact O-N 2.95Å; D336-T342 HydrophobicContact CB-CG2 4.19Å; T342-R344 PolarHBondContact OG1-N 2.83Å; T342-H345 HydrophobicContact CG2-CB 4.43Å
343	L	94.9	Very high	95.2	Very high	40 Å²	40	27.4 Å²	27.4	21%	0.209	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	6.8	167.6	-63.7	178.4	0	0	0	111.4	L90 K93 P328 G331 V332 A333	L90-L343 HydrophobicContact CD1-CD2 4.23Å; L90-L343 HydrophobicContact CD2-CD2 4.13Å; K93-L343 HydrophobicContact CB-CD2 3.87Å; K93-L343 HydrophobicContact CG-CD2 4.32Å; P328-L343 WeakPolarHBondContact O-CB 3.45Å; G331-L343 CarbonylContact C-O 3.59Å; G331-L343 VanDerWaalsContact CA-O 3.24Å; G331-L343 WeakPolarHBondContact CA-O 3.33Å; V332-L343 CarbonylContact O-C 3.51Å; A333-L343 HydrophobicContact CB-CD2 3.38Å
344	R	91.4	Very high	95.3	Very high	180 Å²	180	27.4 Å²	27.4	68%	0.679	15%	0.146	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	16.1	-165.3	-61.6	-173.3	177.2	-144.2	1.7	113	T342	T342-R344 PolarHBondContact OG1-N 2.83Å
345	H	94.4	Very high	95.3	Very high	5 Å²	5	27.3 Å²	27.3	2%	0.023	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	143.6	168.3	-165.7	43	0	0	0	109.6	H173 R176 E180 V332 T334 T342 A350	H173-H345 AromaticContact CD2-CE1 3.87Å; H173-H345 AromaticContact NE2-CE1 3.69Å; R176-H345 HydrophobicContact CB-CB 4.48Å; E180-H345 IonicContact OE1-CD2 3.77Å; E180-H345 PolarHBondContact OE1-CD2 3.18Å; E180-H345 IonicContact OE1-NE2 3.62Å; E180-H345 PolarHBondContact OE1-NE2 3.47Å; E180-H345 IonicContact OE2-CD2 2.69Å; V332-H345 HydrophobicContact CB-CB 4.11Å; V332-H345 PolarHBondContact N-O 3.33Å; V332-H345 PolarHBondContact O-N 2.81Å; T334-H345 HydrophobicContact CG2-CB 3.94Å; T342-H345 HydrophobicContact CG2-CB 4.43Å; H345-A350 VanDerWaalsContact CD2-CB 3.43Å; H345-A350 WeakPolarHBondContact CD2-CB 3.41Å
346	S	91.8	Very high	95.3	Very high	59 Å²	59	27.3 Å²	27.3	41%	0.413	15%	0.146	S	C	.	.			trans	-165	172.6	-165.2	61.9	0	0	0	0	110.6	S321 N322	S321-S346 WeakPolarHBondContact OG-CA 3.39Å; N322-S346 WeakPolarHBondContact OD1-CB 3.38Å
347	G	90.5	Very high	95.4	Very high	4 Å²	4	26.7 Å²	26.7	4%	0.041	14%	0.142	C	C	.	.	S	Bend	trans	91.3	166	-176	0	0	0	0	0	111.2	Y308 S321 S349 A350	Y308-G347 VanDerWaalsContact CE2-CA 3.48Å; Y308-G347 VanDerWaalsContact CZ-CA 3.46Å; Y308-G347 PolarHBondContact OH-N 2.61Å; S321-G347 WeakPolarHBondContact CB-O 3.21Å; S321-G347 PolarHBondContact OG-N 3.24Å; S321-G347 PolarHBondContact OG-O 3.34Å; G347-S349 PolarHBondContact O-N 3.46Å; G347-S349 VanDerWaalsContact O-N 3.14Å; G347-A350 PolarHBondContact O-N 2.94Å; G347-A350 VanDerWaalsContact O-N 3.13Å
348	T	91.6	Very high	95.6	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-58.5	-20.5	167.7	55.2	0	0	0	0	111.5	A272 G274 D275 N297 Y308 A350 A351 A352	A272-T348 WeakPolarHBondContact CB-O 3.42Å; G274-T348 PolarHBondContact N-OG1 3.45Å; G274-T348 VanDerWaalsContact O-CG2 3.26Å; G274-T348 WeakPolarHBondContact O-CG2 3.47Å; G274-T348 PolarHBondContact O-OG1 2.84Å; D275-T348 WeakPolarHBondContact OD1-CB 3.46Å; D275-T348 WeakPolarHBondContact OD1-CG2 3.44Å; D275-T348 PolarHBondContact OD1-N 3.36Å; D275-T348 PolarHBondContact OD1-OG1 2.99Å; N297-T348 WeakPolarHBondContact OD1-CG2 3.35Å; Y308-T348 HydrophobicContact CD2-CG2 4.27Å; Y308-T348 HydrophobicContact CE2-CG2 4.15Å; T348-A350 PolarHBondContact O-N 2.99Å; T348-A351 VanDerWaalsContact O-CB 3.27Å; T348-A351 WeakPolarHBondContact O-CB 3.45Å; T348-A351 PolarHBondContact O-N 2.74Å; T348-A352 PolarHBondContact O-N 3.15Å
349	S	91.3	Very high	95.9	Very high	13 Å²	13	23.2 Å²	23.2	9%	0.091	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-25.4	173.5	-57.8	0	0	0	0	115.7	H173 S233 G347 P353	H173-S349 WeakPolarHBondContact NE2-CB 3.26Å; S233-S349 WeakPolarHBondContact CB-OG 3.31Å; S233-S349 WeakPolarHBondContact OG-CA 3.37Å; S233-S349 PolarHBondContact OG-O 2.83Å; G347-S349 PolarHBondContact O-N 3.46Å; G347-S349 VanDerWaalsContact O-N 3.14Å; S349-P353 WeakPolarHBondContact O-CD 3.41Å; S349-P353 WeakPolarHBondContact O-CG 3.4Å
350	A	95.3	Very high	96.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-83	-26.5	171.8	0	0	0	0	0	112.1	E180 V332 H345 G347 T348 P353	E180-A350 WeakPolarHBondContact OE2-CA 3.26Å; E180-A350 WeakPolarHBondContact OE2-CB 3.44Å; V332-A350 HydrophobicContact CB-CB 4.34Å; V332-A350 HydrophobicContact CG2-CB 3.86Å; H345-A350 VanDerWaalsContact CD2-CB 3.43Å; H345-A350 WeakPolarHBondContact CD2-CB 3.41Å; G347-A350 PolarHBondContact O-N 2.94Å; G347-A350 VanDerWaalsContact O-N 3.13Å; T348-A350 PolarHBondContact O-N 2.99Å; A350-P353 WeakPolarHBondContact O-CD 3.34Å
351	A	97.4	Very high	96.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-71	-43	-178	0	0	0	0	0	112	I296 T319 F320 T348 E354 A355	I296-A351 HydrophobicContact CG2-CB 3.97Å; T319-A351 WeakPolarHBondContact OG1-CA 3.47Å; T319-A351 WeakPolarHBondContact OG1-CB 3.22Å; T319-A351 PolarHBondContact OG1-O 3.27Å; F320-A351 WeakPolarHBondContact O-CA 3.33Å; T348-A351 VanDerWaalsContact O-CB 3.27Å; T348-A351 WeakPolarHBondContact O-CB 3.45Å; T348-A351 PolarHBondContact O-N 2.74Å; A351-E354 WeakPolarHBondContact O-CB 3.33Å; A351-E354 PolarHBondContact O-N 3.43Å; A351-A355 PolarHBondContact O-N 3.3Å; A351-A355 VanDerWaalsContact O-N 3.12Å
352	A	98.3	Very high	96.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61	-44.8	-179.3	0	0	0	0	0	114	V270 A272 T348 E354 A355 A356	V270-A352 HydrophobicContact CG1-CB 4.16Å; V270-A352 WeakPolarHBondContact CG1-O 3.48Å; A272-A352 HydrophobicContact CB-CB 4.11Å; T348-A352 PolarHBondContact O-N 3.15Å; A352-E354 PolarHBondContact O-N 3.08Å; A352-A355 WeakPolarHBondContact O-CB 3.48Å; A352-A355 PolarHBondContact O-N 3.48Å; A352-A356 PolarHBondContact O-N 3.27Å
353	P	98.6	Very high	96.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.4	-44	172.1	-26.6	34.2	0	0	0	113.7	C177 E180 V181 S349 A350 A355 A356 G357	C177-P353 HydrophobicContact CB-CB 4.22Å; C177-P353 HydrophobicContact CB-CG 3.56Å; E180-P353 HydrophobicContact CB-CB 3.96Å; V181-P353 HydrophobicContact CG2-CB 3.9Å; V181-P353 WeakPolarHBondContact CG2-O 3.49Å; S349-P353 WeakPolarHBondContact O-CD 3.41Å; S349-P353 WeakPolarHBondContact O-CG 3.4Å; A350-P353 WeakPolarHBondContact O-CD 3.34Å; P353-A355 VanDerWaalsContact C-N 3.25Å; P353-A355 PolarHBondContact O-N 3.36Å; P353-A356 WeakPolarHBondContact O-CB 3.27Å; P353-A356 PolarHBondContact O-N 3.03Å; P353-A356 VanDerWaalsContact O-N 3.16Å; P353-G357 PolarHBondContact O-N 3.08Å
354	E	98.6	Very high	96.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-55.2	-43.5	174.6	-73.9	-175.9	-166.9	0	0	111.5	Y96 L111 T319 F320 A351 A352 G357 V358	Y96-E354 WeakPolarHBondContact CB-OE1 3.34Å; Y96-E354 HydrophobicContact CD2-CG 4.07Å; Y96-E354 VanDerWaalsContact CD2-OE1 3.3Å; Y96-E354 WeakPolarHBondContact CD2-OE1 3.41Å; Y96-E354 HydrophobicContact CE2-CG 4.28Å; Y96-E354 VanDerWaalsContact CG-OE1 3.24Å; L111-E354 HydrophobicContact CD1-CB 4.01Å; L111-E354 HydrophobicContact CD1-CG 4.27Å; T319-E354 WeakPolarHBondContact CB-OE2 3.36Å; T319-E354 HydrophobicContact CG2-CB 4.22Å; F320-E354 WeakPolarHBondContact CB-OE2 3.28Å; F320-E354 PolarHBondContact N-OE2 2.84Å; A351-E354 WeakPolarHBondContact O-CB 3.33Å; A351-E354 PolarHBondContact O-N 3.43Å; A352-E354 PolarHBondContact O-N 3.08Å; E354-G357 PolarHBondContact O-N 2.65Å; E354-V358 WeakPolarHBondContact O-CG2 3.46Å; E354-V358 PolarHBondContact O-N 3.35Å
355	A	98.9	Very high	96.9	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-66.1	-42.6	176.9	0	0	0	0	0	112.8	V270 I296 T319 A351 A352 P353 G357 V358 F359 L412	V270-A355 HydrophobicContact CG1-CB 3.97Å; I296-A355 HydrophobicContact CB-CB 4.42Å; I296-A355 HydrophobicContact CD1-CB 3.83Å; I296-A355 HydrophobicContact CG1-CB 3.62Å; I296-A355 HydrophobicContact CG2-CB 4.11Å; T319-A355 HydrophobicContact CG2-CB 3.8Å; A351-A355 PolarHBondContact O-N 3.3Å; A351-A355 VanDerWaalsContact O-N 3.12Å; A352-A355 WeakPolarHBondContact O-CB 3.48Å; A352-A355 PolarHBondContact O-N 3.48Å; P353-A355 VanDerWaalsContact C-N 3.25Å; P353-A355 PolarHBondContact O-N 3.36Å; A355-G357 PolarHBondContact O-N 3.26Å; A355-V358 PolarHBondContact O-N 3.08Å; A355-V358 VanDerWaalsContact O-N 3.11Å; A355-F359 HydrophobicContact CB-CE2 4.13Å; A355-F359 HydrophobicContact CB-CZ 4.26Å; A355-F359 VanDerWaalsContact O-CD2 3.32Å; A355-F359 WeakPolarHBondContact O-CD2 3.45Å; A355-F359 WeakPolarHBondContact O-CG 3.3Å; A355-F359 PolarHBondContact O-N 3.25Å; A355-L412 HydrophobicContact CB-CD1 3.55Å
356	A	98.9	Very high	97.1	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-57.9	-38.9	174.2	0	0	0	0	0	111.6	I128 V181 I229 V270 A352 P353 F359 A360	I128-A356 HydrophobicContact CG2-CB 4.14Å; V181-A356 HydrophobicContact CG2-CB 4.42Å; I229-A356 HydrophobicContact CG2-CB 3.89Å; V270-A356 HydrophobicContact CG2-CB 4.18Å; A352-A356 PolarHBondContact O-N 3.27Å; P353-A356 WeakPolarHBondContact O-CB 3.27Å; P353-A356 PolarHBondContact O-N 3.03Å; P353-A356 VanDerWaalsContact O-N 3.16Å; A356-F359 PolarHBondContact O-N 3.21Å; A356-A360 PolarHBondContact O-N 3.37Å
357	G	98.9	Very high	97.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.7	-49	171.6	0	0	0	0	0	112.8	P353 E354 A355 F359 A360 L361	P353-G357 PolarHBondContact O-N 3.08Å; E354-G357 PolarHBondContact O-N 2.65Å; A355-G357 PolarHBondContact O-N 3.26Å; G357-F359 VanDerWaalsContact C-N 3.31Å; G357-F359 PolarHBondContact O-N 2.65Å; G357-A360 WeakPolarHBondContact O-CB 3.15Å; G357-A360 PolarHBondContact O-N 3.22Å; G357-A360 VanDerWaalsContact O-N 3.12Å; G357-L361 WeakPolarHBondContact O-CG 3.23Å; G357-L361 PolarHBondContact O-N 3.42Å; G357-L361 VanDerWaalsContact O-N 3.14Å
358	V	98.9	Very high	97.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.7	-42.3	177.4	172.4	0	0	0	0	111.4	L111 V194 E354 A355 A360 L361 A362 L412 A414 M417	L111-V358 HydrophobicContact CD1-CG2 4.31Å; L111-V358 HydrophobicContact CD2-CG2 4.32Å; V194-V358 HydrophobicContact CG1-CG2 4.03Å; E354-V358 WeakPolarHBondContact O-CG2 3.46Å; E354-V358 PolarHBondContact O-N 3.35Å; A355-V358 PolarHBondContact O-N 3.08Å; A355-V358 VanDerWaalsContact O-N 3.11Å; V358-A360 VanDerWaalsContact C-N 3.3Å; V358-A360 PolarHBondContact O-N 3.43Å; V358-L361 WeakPolarHBondContact O-CB 3.31Å; V358-L361 PolarHBondContact O-N 3.45Å; V358-A362 PolarHBondContact O-N 2.92Å; V358-A362 VanDerWaalsContact O-N 3.1Å; V358-L412 HydrophobicContact CB-CD1 4.07Å; V358-L412 HydrophobicContact CG1-CB 4.41Å; V358-L412 HydrophobicContact CG1-CD1 4.17Å; V358-L412 HydrophobicContact CG2-CD1 4.37Å; V358-A414 HydrophobicContact CG1-CB 4.01Å; V358-A414 HydrophobicContact CG2-CB 4.08Å; V358-M417 HydrophobicContact CG1-CE 4.48Å; V358-M417 HydrophobicContact CG1-SD 3.84Å
359	F	98.9	Very high	98.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.2	-33.6	176.8	-60	-24.8	0	0	0	112.2	I229 I268 V270 I294 I296 A355 A356 G357 A362 L363 M374 T378 L412 M417	I229-F359 HydrophobicContact CD1-CB 3.79Å; I268-F359 HydrophobicContact CG2-CD2 4.22Å; V270-F359 HydrophobicContact CG1-CE2 4.16Å; V270-F359 HydrophobicContact CG2-CD2 3.54Å; V270-F359 HydrophobicContact CG2-CE2 3.65Å; I294-F359 HydrophobicContact CB-CE2 4.24Å; I294-F359 HydrophobicContact CD1-CD2 4.42Å; I294-F359 HydrophobicContact CD1-CE2 3.84Å; I294-F359 HydrophobicContact CD1-CZ 4.08Å; I294-F359 HydrophobicContact CG2-CE2 4Å; I294-F359 HydrophobicContact CG2-CZ 3.83Å; I296-F359 HydrophobicContact CD1-CZ 4.41Å; A355-F359 HydrophobicContact CB-CE2 4.13Å; A355-F359 HydrophobicContact CB-CZ 4.26Å; A355-F359 VanDerWaalsContact O-CD2 3.32Å; A355-F359 WeakPolarHBondContact O-CD2 3.45Å; A355-F359 WeakPolarHBondContact O-CG 3.3Å; A355-F359 PolarHBondContact O-N 3.25Å; A356-F359 PolarHBondContact O-N 3.21Å; G357-F359 VanDerWaalsContact C-N 3.31Å; G357-F359 PolarHBondContact O-N 2.65Å; F359-A362 PolarHBondContact O-N 3.24Å; F359-L363 WeakPolarHBondContact O-CG 3.31Å; F359-L363 PolarHBondContact O-N 3.02Å; F359-M374 HydrophobicContact CB-CE 4Å; F359-M374 HydrophobicContact CB-CG 4.32Å; F359-M374 HydrophobicContact CB-SD 3.88Å; F359-M374 HydrophobicContact CD1-CG 3.83Å; F359-M374 HydrophobicContact CD1-SD 3.43Å; F359-M374 WeakPolarHBondContact CD1-SD 3.45Å; F359-M374 HydrophobicContact CD2-CG 4.31Å; F359-M374 HydrophobicContact CE1-CG 4.23Å; F359-M374 HydrophobicContact CE1-SD 4.19Å; F359-M374 HydrophobicContact CG-CG 3.89Å; F359-M374 HydrophobicContact CG-SD 3.77Å; F359-T378 VanDerWaalsContact CE1-OG1 3.29Å; F359-T378 WeakPolarHBondContact CE1-OG1 3.41Å; F359-L412 HydrophobicContact CE1-CD1 3.88Å; F359-L412 HydrophobicContact CE1-CD2 4.3Å; F359-L412 HydrophobicContact CZ-CD1 4.06Å; F359-M417 HydrophobicContact CD1-CE 4.32Å; F359-M417 HydrophobicContact CD1-SD 3.74Å; F359-M417 HydrophobicContact CE1-CE 3.99Å; F359-M417 HydrophobicContact CE1-SD 4.04Å
360	A	98.9	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.8	-38.7	173.3	0	0	0	0	0	112.2	V126 I128 A195 I229 A356 G357 V358 A362 L363 E364	V126-A360 HydrophobicContact CB-CB 4.17Å; V126-A360 HydrophobicContact CG1-CB 3.84Å; I128-A360 HydrophobicContact CD1-CB 3.88Å; I128-A360 HydrophobicContact CG1-CB 4.33Å; A195-A360 HydrophobicContact CB-CB 3.87Å; I229-A360 HydrophobicContact CD1-CB 3.98Å; A356-A360 PolarHBondContact O-N 3.37Å; G357-A360 WeakPolarHBondContact O-CB 3.15Å; G357-A360 PolarHBondContact O-N 3.22Å; G357-A360 VanDerWaalsContact O-N 3.12Å; V358-A360 VanDerWaalsContact C-N 3.3Å; V358-A360 PolarHBondContact O-N 3.43Å; A360-A362 VanDerWaalsContact C-N 3.33Å; A360-A362 PolarHBondContact O-N 3.17Å; A360-L363 PolarHBondContact O-N 2.9Å; A360-E364 PolarHBondContact O-N 3.38Å
361	L	98.9	Very high	98.6	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.7	-42.5	172.8	-55.2	-177.8	0	0	0	111.2	V113 A116 T122 G123 V194 A195 G357 V358 E364 A365 A414 V418	V113-L361 HydrophobicContact CG1-CD1 4.43Å; A116-L361 HydrophobicContact CB-CD1 3.78Å; T122-L361 VanDerWaalsContact C-CD2 3.43Å; G123-L361 VanDerWaalsContact N-CD2 3.33Å; V194-L361 HydrophobicContact CG1-CD1 4.1Å; A195-L361 HydrophobicContact CB-CD2 4.06Å; G357-L361 WeakPolarHBondContact O-CG 3.23Å; G357-L361 PolarHBondContact O-N 3.42Å; G357-L361 VanDerWaalsContact O-N 3.14Å; V358-L361 WeakPolarHBondContact O-CB 3.31Å; V358-L361 PolarHBondContact O-N 3.45Å; L361-E364 PolarHBondContact O-N 3.18Å; L361-A365 PolarHBondContact O-N 3.49Å; L361-A414 HydrophobicContact CD1-CB 3.95Å; L361-V418 HydrophobicContact CB-CG2 3.79Å
362	A	98.9	Very high	98.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.1	-39.3	178	0	0	0	0	0	112.8	V358 F359 A360 A365 N366 L369 M374 M417 A421	V358-A362 PolarHBondContact O-N 2.92Å; V358-A362 VanDerWaalsContact O-N 3.1Å; F359-A362 PolarHBondContact O-N 3.24Å; A360-A362 VanDerWaalsContact C-N 3.33Å; A360-A362 PolarHBondContact O-N 3.17Å; A362-A365 WeakPolarHBondContact O-CB 3.39Å; A362-A365 PolarHBondContact O-N 3.26Å; A362-N366 PolarHBondContact O-N 2.85Å; A362-L369 HydrophobicContact CB-CD1 4.48Å; A362-M374 HydrophobicContact CB-CE 4.06Å; A362-M374 HydrophobicContact CB-SD 4.24Å; A362-M417 HydrophobicContact CB-CG 3.77Å; A362-M417 HydrophobicContact CB-SD 3.94Å; A362-A421 HydrophobicContact CB-CB 4.31Å
363	L	98.9	Very high	98.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.7	-39	174.6	-77.1	-171.4	0	0	0	112.6	V126 D228 I229 R262 I268 F359 A360 A365 N366 L367 L369 M374	V126-L363 HydrophobicContact CG1-CB 4.46Å; V126-L363 HydrophobicContact CG1-CD1 3.94Å; V126-L363 HydrophobicContact CG2-CB 3.76Å; D228-L363 HydrophobicContact CB-CD1 3.73Å; I229-L363 HydrophobicContact CD1-CD1 3.87Å; I229-L363 HydrophobicContact CG1-CD1 3.91Å; R262-L363 VanDerWaalsContact NH2-CD2 3.28Å; I268-L363 HydrophobicContact CD1-CD1 3.94Å; I268-L363 HydrophobicContact CD1-CD2 4.03Å; I268-L363 HydrophobicContact CD1-CG 4.21Å; F359-L363 WeakPolarHBondContact O-CG 3.31Å; F359-L363 PolarHBondContact O-N 3.02Å; A360-L363 PolarHBondContact O-N 2.9Å; L363-A365 PolarHBondContact O-N 3.1Å; L363-N366 CarbonylContact O-C 3.54Å; L363-N366 PolarHBondContact O-N 3.03Å; L363-N366 VanDerWaalsContact O-N 3.13Å; L363-L367 WeakPolarHBondContact O-CA 3.42Å; L363-L367 WeakPolarHBondContact O-CD2 3.41Å; L363-L367 PolarHBondContact O-N 2.92Å; L363-L369 HydrophobicContact CD2-CB 3.97Å; L363-L369 HydrophobicContact CD2-CD1 4.31Å; L363-M374 HydrophobicContact CD2-CE 3.71Å; L363-M374 HydrophobicContact CG-CE 3.77Å
364	E	98.8	Very high	98.7	Very high	44 Å²	44	13.7 Å²	13.7	21%	0.206	8%	0.079	C	C	.	.	H	α-helix	trans	-59.9	-38.3	173	-175.3	-176.5	-177	0	0	110.9	Y121 T122 G123 K124 A360 L361 N366	Y121-E364 WeakPolarHBondContact CA-OE2 3.28Å; Y121-E364 HydrophobicContact CD1-CB 4.19Å; Y121-E364 HydrophobicContact CD1-CG 3.92Å; T122-E364 PolarHBondContact N-OE2 3Å; G123-E364 WeakPolarHBondContact CA-OE2 3.11Å; G123-E364 PolarHBondContact N-OE2 2.69Å; K124-E364 WeakPolarHBondContact CB-OE1 3.17Å; K124-E364 VanDerWaalsContact N-CD 3.3Å; K124-E364 PolarHBondContact N-OE2 2.7Å; A360-E364 PolarHBondContact O-N 3.38Å; L361-E364 PolarHBondContact O-N 3.18Å; E364-N366 VanDerWaalsContact C-N 3.33Å; E364-N366 PolarHBondContact O-N 3.45Å
365	A	98.7	Very high	98.8	Very high	18 Å²	18	13.8 Å²	13.8	15%	0.149	8%	0.08	C	C	.	.	H	α-helix	trans	-66.9	-32.4	175.3	0	0	0	0	0	113.6	Y121 L361 A362 L363 V418 A421	Y121-A365 HydrophobicContact CD1-CB 3.88Å; Y121-A365 HydrophobicContact CE1-CB 3.57Å; Y121-A365 HydrophobicContact CE2-CB 4.36Å; Y121-A365 HydrophobicContact CG-CB 4.41Å; L361-A365 PolarHBondContact O-N 3.49Å; A362-A365 WeakPolarHBondContact O-CB 3.39Å; A362-A365 PolarHBondContact O-N 3.26Å; L363-A365 PolarHBondContact O-N 3.1Å; A365-V418 HydrophobicContact CB-CG1 4.12Å; A365-A421 HydrophobicContact CB-CB 4.19Å
366	N	98.6	Very high	98.8	Very high	36 Å²	36	13.9 Å²	13.9	19%	0.193	8%	0.08	C	C	.	.			trans	-153.8	97	177.2	-174.4	-7.5	0	0	0	111.9	A362 L363 E364 G368 L369 A421 W424	A362-N366 PolarHBondContact O-N 2.85Å; L363-N366 CarbonylContact O-C 3.54Å; L363-N366 PolarHBondContact O-N 3.03Å; L363-N366 VanDerWaalsContact O-N 3.13Å; E364-N366 VanDerWaalsContact C-N 3.33Å; E364-N366 PolarHBondContact O-N 3.45Å; N366-G368 PolarHBondContact O-N 2.76Å; N366-G368 VanDerWaalsContact O-N 3.08Å; N366-G368 WeakPolarHBondContact OD1-CA 3.21Å; N366-G368 PolarHBondContact OD1-N 2.93Å; N366-L369 HydrophobicContact CB-CD1 4.19Å; N366-L369 HydrophobicContact CB-CD2 4.5Å; N366-L369 HydrophobicContact CB-CG 3.93Å; N366-L369 VanDerWaalsContact O-CG 3.27Å; N366-L369 WeakPolarHBondContact O-CG 3.43Å; N366-L369 PolarHBondContact O-N 2.87Å; N366-A421 HydrophobicContact CB-CB 4.47Å; N366-A421 VanDerWaalsContact CB-O 3.26Å; N366-A421 WeakPolarHBondContact CB-O 3.32Å; N366-A421 PolarHBondContact ND2-O 2.86Å; N366-W424 PolarHBondContact ND2-O 2.86Å
367	L	97.4	Very high	98.7	Very high	97 Å²	97	13.9 Å²	13.9	51%	0.508	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-9.9	176.9	-65.6	173.7	0	0	0	113.3	R262 K265 L363	R262-L367 PolarHBondContact NH2-O 2.75Å; K265-L367 WeakPolarHBondContact CD-O 3.41Å; K265-L367 WeakPolarHBondContact CE-O 3.44Å; L363-L367 WeakPolarHBondContact O-CA 3.42Å; L363-L367 WeakPolarHBondContact O-CD2 3.41Å; L363-L367 PolarHBondContact O-N 2.92Å
368	G	98.1	Very high	98.7	Very high	31 Å²	31	13.9 Å²	13.9	32%	0.32	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.3	176.2	0	0	0	0	0	114.5	N366 T370	N366-G368 PolarHBondContact O-N 2.76Å; N366-G368 VanDerWaalsContact O-N 3.08Å; N366-G368 WeakPolarHBondContact OD1-CA 3.21Å; N366-G368 PolarHBondContact OD1-N 2.93Å; G368-T370 PolarHBondContact O-N 3.14Å
369	L	98.8	Very high	98.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.08	C	C	.	.			trans	-60.6	130.4	-179.9	-65.1	171.8	0	0	0	111.7	R262 A362 L363 N366 D373 M374 L377 A421 W424	R262-L369 PolarHBondContact NH1-O 3.35Å; A362-L369 HydrophobicContact CB-CD1 4.48Å; L363-L369 HydrophobicContact CD2-CB 3.97Å; L363-L369 HydrophobicContact CD2-CD1 4.31Å; N366-L369 HydrophobicContact CB-CD1 4.19Å; N366-L369 HydrophobicContact CB-CD2 4.5Å; N366-L369 HydrophobicContact CB-CG 3.93Å; N366-L369 VanDerWaalsContact O-CG 3.27Å; N366-L369 WeakPolarHBondContact O-CG 3.43Å; N366-L369 PolarHBondContact O-N 2.87Å; L369-D373 HydrophobicContact CB-CB 4.21Å; L369-D373 HydrophobicContact CD2-CB 3.75Å; L369-M374 HydrophobicContact CD1-CE 4.04Å; L369-L377 HydrophobicContact CD1-CD1 3.68Å; L369-L377 HydrophobicContact CD2-CD1 3.78Å; L369-L377 HydrophobicContact CG-CD1 4.39Å; L369-A421 HydrophobicContact CD1-CB 3.97Å; L369-W424 HydrophobicContact CD2-CB 4.02Å; L369-W424 VanDerWaalsContact CD2-CD1 3.42Å; L369-W424 HydrophobicContact CD2-CG 3.87Å
370	T	98.9	Very high	98.7	Very high	25 Å²	25	14.2 Å²	14.2	15%	0.153	8%	0.082	C	C	.	.			trans	-82.6	168	170.1	66.8	0	0	0	0	111.7	K265 G368 R372 D373 M374 T426	K265-T370 CarbonylContact O-C 3.54Å; K265-T370 WeakPolarHBondContact O-CA 3.28Å; K265-T370 WeakPolarHBondContact O-CB 3.29Å; G368-T370 PolarHBondContact O-N 3.14Å; T370-R372 PolarHBondContact O-N 3.19Å; T370-D373 WeakPolarHBondContact CB-OD2 3.34Å; T370-D373 WeakPolarHBondContact CG2-OD2 3.23Å; T370-D373 PolarHBondContact N-OD2 3Å; T370-D373 PolarHBondContact O-N 2.89Å; T370-D373 VanDerWaalsContact O-N 3.17Å; T370-D373 PolarHBondContact OG1-N 3.12Å; T370-D373 VanDerWaalsContact OG1-N 3.14Å; T370-D373 PolarHBondContact OG1-OD2 2.98Å; T370-M374 PolarHBondContact O-N 2.89Å; T370-M374 VanDerWaalsContact O-N 3.09Å; T370-T426 HydrophobicContact CG2-CG2 3.85Å
371	W	98.8	Very high	98.7	Very high	21 Å²	21	14.6 Å²	14.6	8%	0.08	8%	0.084	C	C	.	.	H	α-helix	trans	-57.2	-36.5	174.5	70.5	-85.4	0	0	0	112.7	V258 K265 I268 M291 W292 Q375	V258-W371 HydrophobicContact CB-CD2 3.98Å; V258-W371 HydrophobicContact CB-CG 4.03Å; V258-W371 HydrophobicContact CB-CZ2 4.41Å; V258-W371 HydrophobicContact CG1-CD2 4.06Å; V258-W371 HydrophobicContact CG1-CE3 4.37Å; V258-W371 HydrophobicContact CG1-CG 4.21Å; V258-W371 HydrophobicContact CG2-CZ2 4.48Å; V258-W371 VanDerWaalsContact O-CD1 3.23Å; V258-W371 PolarHBondContact O-NE1 3.39Å; K265-W371 PolarHBondContact O-N 3.13Å; I268-W371 HydrophobicContact CG1-CB 4.41Å; M291-W371 WeakPolarHBondContact O-CZ3 3.24Å; W292-W371 AromaticContact CD1-CH2 3.91Å; W371-Q375 PolarHBondContact O-N 3.43Å
372	R	98.8	Very high	98.6	Very high	16 Å²	16	14.8 Å²	14.8	6%	0.06	9%	0.085	C	C	.	.	H	α-helix	trans	-70.9	-43.2	173.8	-82.6	166.7	63.3	-123.5	3.2	112.4	T370 M374 Q375 H376 V427 P428 E470	T370-R372 PolarHBondContact O-N 3.19Å; R372-M374 PolarHBondContact O-N 2.83Å; R372-Q375 WeakPolarHBondContact O-CB 3.48Å; R372-Q375 PolarHBondContact O-N 3.44Å; R372-H376 PolarHBondContact O-CD2 3.36Å; R372-H376 PolarHBondContact O-N 2.89Å; R372-V427 HydrophobicContact CB-CG2 4.28Å; R372-P428 VanDerWaalsContact CZ-O 3.29Å; R372-P428 PolarHBondContact NH1-O 3.42Å; R372-P428 PolarHBondContact NH2-O 3.44Å; R372-E470 IonicContact CZ-OE1 3.06Å; R372-E470 IonicContact CZ-OE2 3.93Å; R372-E470 IonicContact NE-OE1 2.64Å; R372-E470 PolarHBondContact NE-OE1 3.07Å; R372-E470 IonicContact NE-OE2 3.91Å; R372-E470 PolarHBondContact NE-OE2 2.89Å; R372-E470 IonicContact NH2-OE1 3.59Å; R372-E470 PolarHBondContact NH2-OE1 3.37Å; R372-E470 IonicContact NH2-OE2 3.15Å
373	D	98.9	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.1	-39.2	176.1	-65.9	-46	0	0	0	110.9	L369 T370 Q375 H376 L377 W424 T426 V427	L369-D373 HydrophobicContact CB-CB 4.21Å; L369-D373 HydrophobicContact CD2-CB 3.75Å; T370-D373 WeakPolarHBondContact CB-OD2 3.34Å; T370-D373 WeakPolarHBondContact CG2-OD2 3.23Å; T370-D373 PolarHBondContact N-OD2 3Å; T370-D373 PolarHBondContact O-N 2.89Å; T370-D373 VanDerWaalsContact O-N 3.17Å; T370-D373 PolarHBondContact OG1-N 3.12Å; T370-D373 VanDerWaalsContact OG1-N 3.14Å; T370-D373 PolarHBondContact OG1-OD2 2.98Å; D373-Q375 PolarHBondContact O-N 3.26Å; D373-H376 PolarHBondContact O-N 3.43Å; D373-L377 WeakPolarHBondContact O-CB 3.32Å; D373-L377 VanDerWaalsContact O-CG 3.28Å; D373-L377 WeakPolarHBondContact O-CG 3.4Å; D373-L377 PolarHBondContact O-N 2.83Å; D373-W424 VanDerWaalsContact CG-NE1 3.29Å; D373-W424 PolarHBondContact OD1-NE1 3.33Å; D373-T426 WeakPolarHBondContact OD1-CA 3.36Å; D373-T426 WeakPolarHBondContact OD2-CG2 3.48Å; D373-T426 PolarHBondContact OD2-OG1 2.88Å; D373-T426 VanDerWaalsContact OD2-OG1 3.13Å; D373-V427 PolarHBondContact OD1-N 3.42Å
374	M	98.9	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-40.3	176	-165.7	59.6	71.8	0	0	112.9	I268 I294 F359 A362 L363 L369 T370 R372 T378 M417	I268-M374 HydrophobicContact CD1-CB 4.16Å; I268-M374 HydrophobicContact CD1-CE 3.86Å; I268-M374 HydrophobicContact CD1-CG 4.18Å; I268-M374 HydrophobicContact CG1-CB 4.41Å; I268-M374 HydrophobicContact CG2-CG 4.37Å; I294-M374 HydrophobicContact CD1-CB 4.17Å; I294-M374 HydrophobicContact CD1-CG 3.83Å; F359-M374 HydrophobicContact CB-CE 4Å; F359-M374 HydrophobicContact CB-CG 4.32Å; F359-M374 HydrophobicContact CB-SD 3.88Å; F359-M374 HydrophobicContact CD1-CG 3.83Å; F359-M374 HydrophobicContact CD1-SD 3.43Å; F359-M374 WeakPolarHBondContact CD1-SD 3.45Å; F359-M374 HydrophobicContact CD2-CG 4.31Å; F359-M374 HydrophobicContact CE1-CG 4.23Å; F359-M374 HydrophobicContact CE1-SD 4.19Å; F359-M374 HydrophobicContact CG-CG 3.89Å; F359-M374 HydrophobicContact CG-SD 3.77Å; A362-M374 HydrophobicContact CB-CE 4.06Å; A362-M374 HydrophobicContact CB-SD 4.24Å; L363-M374 HydrophobicContact CD2-CE 3.71Å; L363-M374 HydrophobicContact CG-CE 3.77Å; L369-M374 HydrophobicContact CD1-CE 4.04Å; T370-M374 PolarHBondContact O-N 2.89Å; T370-M374 VanDerWaalsContact O-N 3.09Å; R372-M374 PolarHBondContact O-N 2.83Å; M374-T378 WeakPolarHBondContact O-CB 3.49Å; M374-T378 PolarHBondContact O-N 2.93Å; M374-T378 PolarHBondContact O-OG1 3.05Å; M374-M417 HydrophobicContact SD-SD 4.12Å
375	Q	98.9	Very high	97.2	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-44.1	173.5	-70.5	176.1	-12.8	0	0	111.8	M291 T293 I294 L316 W371 R372 D373 L377 T378 V379 H471 W525	M291-Q375 PolarHBondContact O-NE2 3.46Å; T293-Q375 PolarHBondContact O-NE2 2.88Å; I294-Q375 HydrophobicContact CD1-CG 3.85Å; I294-Q375 HydrophobicContact CG1-CG 3.72Å; L316-Q375 HydrophobicContact CD2-CB 3.85Å; L316-Q375 HydrophobicContact CD2-CG 3.92Å; W371-Q375 PolarHBondContact O-N 3.43Å; R372-Q375 WeakPolarHBondContact O-CB 3.48Å; R372-Q375 PolarHBondContact O-N 3.44Å; D373-Q375 PolarHBondContact O-N 3.26Å; Q375-L377 PolarHBondContact O-N 2.94Å; Q375-T378 WeakPolarHBondContact O-CB 3.43Å; Q375-T378 PolarHBondContact O-N 3.16Å; Q375-V379 WeakPolarHBondContact O-CG2 3.19Å; Q375-V379 PolarHBondContact O-N 2.81Å; Q375-H471 PolarHBondContact OE1-CE1 2.88Å; Q375-H471 PolarHBondContact OE1-NE2 2.91Å; Q375-H471 VanDerWaalsContact OE1-NE2 3.14Å; Q375-W525 HydrophobicContact CB-CH2 3.65Å; Q375-W525 HydrophobicContact CB-CZ2 4.21Å
376	H	98.9	Very high	96.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-59.2	-47.1	175.2	-80.1	-87.1	0	0	0	112	R372 D373 T378 V379 L380 W424 E470 W525 Y564	R372-H376 PolarHBondContact O-CD2 3.36Å; R372-H376 PolarHBondContact O-N 2.89Å; D373-H376 PolarHBondContact O-N 3.43Å; H376-T378 VanDerWaalsContact C-N 3.3Å; H376-T378 PolarHBondContact O-N 3.19Å; H376-V379 PolarHBondContact O-N 3.33Å; H376-L380 WeakPolarHBondContact O-CB 3.42Å; H376-L380 WeakPolarHBondContact O-CG 3.36Å; H376-L380 PolarHBondContact O-N 3.49Å; H376-W424 HydrophobicContact CB-CH2 3.98Å; H376-W424 HydrophobicContact CB-CZ2 3.69Å; H376-E470 IonicContact CE1-OE1 3.65Å; H376-E470 IonicContact NE2-OE1 3.66Å; H376-E470 PolarHBondContact NE2-OE1 2.8Å; H376-E470 VanDerWaalsContact NE2-OE1 3.11Å; H376-W525 AromaticContact CD2-CZ2 3.83Å; H376-W525 AromaticContact CE1-CE2 3.87Å; H376-W525 AromaticContact CE1-CZ2 3.82Å; H376-W525 AromaticContact CE1-NE1 3.33Å; H376-W525 PolarHBondContact CE1-NE1 3.3Å; H376-W525 VanDerWaalsContact CE1-NE1 3.33Å; H376-W525 AromaticContact CG-CZ2 3.9Å; H376-W525 AromaticContact ND1-CE2 3.87Å; H376-W525 AromaticContact ND1-CZ2 3.9Å; H376-W525 AromaticContact ND1-NE1 3.23Å; H376-W525 PolarHBondContact ND1-NE1 3.42Å; H376-W525 AromaticContact NE2-CZ2 3.78Å; H376-Y564 AromaticContact ND1-CE1 3.53Å; H376-Y564 AromaticContact ND1-CZ 3.54Å; H376-Y564 PolarHBondContact ND1-OH 3.33Å
377	L	98.8	Very high	96.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.8	-45.9	175.3	-72.9	174.7	0	0	0	110.6	L369 D373 Q375 V379 L380 T381 M417 M420 A421 W424	L369-L377 HydrophobicContact CD1-CD1 3.68Å; L369-L377 HydrophobicContact CD2-CD1 3.78Å; L369-L377 HydrophobicContact CG-CD1 4.39Å; D373-L377 WeakPolarHBondContact O-CB 3.32Å; D373-L377 VanDerWaalsContact O-CG 3.28Å; D373-L377 WeakPolarHBondContact O-CG 3.4Å; D373-L377 PolarHBondContact O-N 2.83Å; Q375-L377 PolarHBondContact O-N 2.94Å; L377-V379 PolarHBondContact O-N 2.89Å; L377-L380 PolarHBondContact O-N 2.8Å; L377-T381 WeakPolarHBondContact O-CB 3.37Å; L377-T381 WeakPolarHBondContact O-CG2 3.37Å; L377-T381 PolarHBondContact O-N 2.79Å; L377-T381 PolarHBondContact O-OG1 2.8Å; L377-M417 HydrophobicContact CB-CE 4.45Å; L377-M417 HydrophobicContact CB-CG 4.21Å; L377-M420 HydrophobicContact CD2-CB 3.83Å; L377-M420 HydrophobicContact CD2-CG 3.49Å; L377-M420 VanDerWaalsContact CD2-CG 3.49Å; L377-M420 HydrophobicContact CD2-SD 3.6Å; L377-A421 HydrophobicContact CD1-CB 4.02Å; L377-W424 HydrophobicContact CD2-CD2 3.87Å; L377-W424 HydrophobicContact CD2-CE3 3.6Å; L377-W424 HydrophobicContact CD2-CG 4.36Å; L377-W424 HydrophobicContact CD2-CZ3 3.99Å; L377-W424 HydrophobicContact CG-CD2 4.34Å; L377-W424 HydrophobicContact CG-CE3 4.47Å
378	T	98.9	Very high	95.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-53.7	-54.5	176.1	-61.8	0	0	0	0	111.6	L316 A317 F359 M374 Q375 H376 L380 T381 S382 L412	L316-T378 HydrophobicContact CB-CG2 4.5Å; L316-T378 HydrophobicContact CD2-CG2 3.71Å; L316-T378 HydrophobicContact CG-CG2 3.95Å; A317-T378 HydrophobicContact CB-CG2 3.49Å; A317-T378 VanDerWaalsContact CB-CG2 3.49Å; F359-T378 VanDerWaalsContact CE1-OG1 3.29Å; F359-T378 WeakPolarHBondContact CE1-OG1 3.41Å; M374-T378 WeakPolarHBondContact O-CB 3.49Å; M374-T378 PolarHBondContact O-N 2.93Å; M374-T378 PolarHBondContact O-OG1 3.05Å; Q375-T378 WeakPolarHBondContact O-CB 3.43Å; Q375-T378 PolarHBondContact O-N 3.16Å; H376-T378 VanDerWaalsContact C-N 3.3Å; H376-T378 PolarHBondContact O-N 3.19Å; T378-L380 VanDerWaalsContact C-N 3.31Å; T378-L380 PolarHBondContact O-N 2.86Å; T378-T381 PolarHBondContact O-N 3.03Å; T378-S382 VanDerWaalsContact O-CB 3.3Å; T378-S382 WeakPolarHBondContact O-CB 3.43Å; T378-S382 PolarHBondContact O-N 3.02Å; T378-S382 PolarHBondContact O-OG 3.49Å; T378-L412 HydrophobicContact CG2-CD2 3.7Å
379	V	98.7	Very high	95.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-55.1	-47	178.3	171.7	0	0	0	0	111.7	L316 Q375 H376 L377 L401 Y409 W525 K575	L316-V379 HydrophobicContact CD1-CG2 3.6Å; L316-V379 HydrophobicContact CD2-CG2 4.4Å; L316-V379 HydrophobicContact CG-CG2 4.09Å; Q375-V379 WeakPolarHBondContact O-CG2 3.19Å; Q375-V379 PolarHBondContact O-N 2.81Å; H376-V379 PolarHBondContact O-N 3.33Å; L377-V379 PolarHBondContact O-N 2.89Å; V379-L401 HydrophobicContact CG1-CD1 3.86Å; V379-Y409 HydrophobicContact CB-CD2 4.22Å; V379-Y409 HydrophobicContact CB-CE2 4.46Å; V379-Y409 HydrophobicContact CB-CG 4.33Å; V379-Y409 HydrophobicContact CG1-CD1 3.84Å; V379-Y409 HydrophobicContact CG1-CD2 4.06Å; V379-Y409 HydrophobicContact CG1-CE1 3.82Å; V379-Y409 HydrophobicContact CG1-CE2 4.03Å; V379-Y409 HydrophobicContact CG1-CG 3.96Å; V379-Y409 HydrophobicContact CG2-CD2 3.72Å; V379-Y409 HydrophobicContact CG2-CE2 3.78Å; V379-Y409 HydrophobicContact CG2-CG 4.33Å; V379-W525 HydrophobicContact CG1-CB 4.49Å; V379-W525 HydrophobicContact CG1-CG 4.23Å; V379-W525 HydrophobicContact CG2-CD2 3.85Å; V379-W525 HydrophobicContact CG2-CE3 4.04Å; V379-W525 HydrophobicContact CG2-CG 4.2Å; V379-W525 HydrophobicContact CG2-CZ3 4.48Å; V379-K575 WeakPolarHBondContact O-CD 3.11Å; V379-K575 PolarHBondContact O-NZ 3.35Å
380	L	98.3	Very high	94.7	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-79.2	-25.4	-171.2	-66.7	174.6	0	0	0	114.2	H376 L377 T378 M420 W424 Y564 K575 L576	H376-L380 WeakPolarHBondContact O-CB 3.42Å; H376-L380 WeakPolarHBondContact O-CG 3.36Å; H376-L380 PolarHBondContact O-N 3.49Å; L377-L380 PolarHBondContact O-N 2.8Å; T378-L380 VanDerWaalsContact C-N 3.31Å; T378-L380 PolarHBondContact O-N 2.86Å; L380-M420 HydrophobicContact CB-CE 4.19Å; L380-M420 HydrophobicContact CB-SD 3.99Å; L380-M420 HydrophobicContact CD1-SD 4.14Å; L380-W424 HydrophobicContact CD1-CH2 3.61Å; L380-W424 HydrophobicContact CD1-CZ3 3.8Å; L380-Y564 HydrophobicContact CD1-CD1 4.28Å; L380-Y564 HydrophobicContact CD1-CE1 3.73Å; L380-Y564 HydrophobicContact CD2-CE2 4.36Å; L380-K575 HydrophobicContact CD2-CB 4.04Å; L380-K575 WeakPolarHBondContact O-CB 3.27Å; L380-L576 HydrophobicContact CD1-CB 4.44Å; L380-L576 HydrophobicContact CD1-CD1 4Å; L380-L576 HydrophobicContact CD2-CB 4.41Å
381	T	97.9	Very high	94	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.043	20%	0.196	C	C	.	.	H	α-helix	trans	-105.8	-19.4	-176.5	64.5	0	0	0	0	114.3	L377 T378 A416 M417 M420	L377-T381 WeakPolarHBondContact O-CB 3.37Å; L377-T381 WeakPolarHBondContact O-CG2 3.37Å; L377-T381 PolarHBondContact O-N 2.79Å; L377-T381 PolarHBondContact O-OG1 2.8Å; T378-T381 PolarHBondContact O-N 3.03Å; T381-A416 HydrophobicContact CG2-CB 4.31Å; T381-M417 WeakPolarHBondContact OG1-CE 3.5Å; T381-M420 HydrophobicContact CG2-CB 4.18Å; T381-M420 HydrophobicContact CG2-CE 3.62Å; T381-M420 HydrophobicContact CG2-SD 3.74Å
382	S	98	Very high	93.4	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.028	20%	0.198	C	C	.	.			trans	-58.1	144.2	175.6	-73.6	0	0	0	0	112.6	T378 Y409 G410 V411 K575	T378-S382 VanDerWaalsContact O-CB 3.3Å; T378-S382 WeakPolarHBondContact O-CB 3.43Å; T378-S382 PolarHBondContact O-N 3.02Å; T378-S382 PolarHBondContact O-OG 3.49Å; S382-Y409 WeakPolarHBondContact CB-O 3.32Å; S382-G410 WeakPolarHBondContact CB-O 3.46Å; S382-G410 PolarHBondContact OG-O 3.16Å; S382-V411 CarbonylContact C-O 3.52Å; S382-V411 VanDerWaalsContact CA-O 3.27Å; S382-V411 WeakPolarHBondContact CA-O 3.37Å; S382-K575 WeakPolarHBondContact O-CE 3.47Å; S382-K575 PolarHBondContact O-NZ 3.28Å
383	K	93.3	Very high	93	Very high	95 Å²	95	46.5 Å²	46.5	41%	0.413	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-118.4	130.6	-174.1	-71	-177.9	174.7	173.2	0	111.9	N385 G410 V411 D413	K383-N385 VanDerWaalsContact C-N 3.35Å; K383-G410 CarbonylContact O-C 3.39Å; K383-G410 WeakPolarHBondContact O-CA 3.47Å; K383-V411 PolarHBondContact N-O 2.8Å; K383-V411 PolarHBondContact O-N 2.91Å; K383-D413 HydrophobicContact CD-CB 4.27Å; K383-D413 WeakPolarHBondContact CD-OD2 3.34Å; K383-D413 WeakPolarHBondContact CE-OD2 3.41Å; K383-D413 IonicContact NZ-OD2 2.67Å; K383-D413 PolarHBondContact NZ-OD2 3.03Å
384	R	92.1	Very high	92.7	Very high	94 Å²	94	48.1 Å²	48.1	36%	0.355	23%	0.231	S	C	.	.			trans	-72.5	-26.4	169.6	168.5	178.3	178.9	-164.6	1.3	113.4	Q386 L387 W394 E402	R384-Q386 PolarHBondContact O-N 3.29Å; R384-L387 WeakPolarHBondContact O-CB 3.42Å; R384-L387 WeakPolarHBondContact O-CG 3.21Å; R384-L387 PolarHBondContact O-N 2.97Å; R384-W394 HydrophobicContact CB-CD2 4.47Å; R384-W394 HydrophobicContact CB-CE3 4.25Å; R384-W394 HydrophobicContact CB-CH2 3.94Å; R384-W394 HydrophobicContact CB-CZ2 4.16Å; R384-W394 HydrophobicContact CB-CZ3 3.99Å; R384-W394 VanDerWaalsContact CD-CD2 3.45Å; R384-W394 HydrophobicContact CG-CD2 3.73Å; R384-W394 HydrophobicContact CG-CE3 3.99Å; R384-W394 HydrophobicContact CG-CG 4.32Å; R384-W394 HydrophobicContact CG-CH2 4.06Å; R384-W394 HydrophobicContact CG-CZ2 3.8Å; R384-W394 HydrophobicContact CG-CZ3 4.14Å; R384-E402 WeakPolarHBondContact CD-OE2 3.29Å; R384-E402 IonicContact NH1-OE1 3.55Å; R384-E402 PolarHBondContact NH1-OE1 3.33Å; R384-E402 VanDerWaalsContact NH1-OE1 3.1Å; R384-E402 IonicContact NH1-OE2 3.51Å
385	N	80.8	Confident	92.6	Very high	115 Å²	115	52.2 Å²	52.2	62%	0.615	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	131.2	-162.9	-71.1	-20.2	0	0	0	111.9	K383 L387	K383-N385 VanDerWaalsContact C-N 3.35Å; N385-L387 PolarHBondContact O-N 3.45Å
386	Q	86.8	Confident	92.5	Very high	77 Å²	77	59.6 Å²	59.6	36%	0.36	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	8.5	179.6	-39.5	-177.9	38	0	0	115	L109 G303 R384 H388	L109-Q386 HydrophobicContact CD1-CB 4.38Å; G303-Q386 WeakPolarHBondContact CA-O 3.43Å; R384-Q386 PolarHBondContact O-N 3.29Å; Q386-H388 PolarHBondContact O-CD2 3.44Å; Q386-H388 VanDerWaalsContact O-CD2 3.25Å
387	L	92.3	Very high	92.4	Very high	10 Å²	10	60 Å²	60	5%	0.052	28%	0.276	C	S	.	.			trans	-87.3	133.8	171.4	-57.4	178.1	0	0	0	111.8	L109 A299 G303 R384 N385 W394 F407 V411	L109-L387 HydrophobicContact CD1-CD2 4.14Å; A299-L387 HydrophobicContact CB-CD2 4Å; G303-L387 CarbonylContact O-C 3.44Å; G303-L387 VanDerWaalsContact O-CA 3.28Å; G303-L387 WeakPolarHBondContact O-CA 3.04Å; R384-L387 WeakPolarHBondContact O-CB 3.42Å; R384-L387 WeakPolarHBondContact O-CG 3.21Å; R384-L387 PolarHBondContact O-N 2.97Å; N385-L387 PolarHBondContact O-N 3.45Å; L387-W394 HydrophobicContact CB-CZ2 3.84Å; L387-W394 HydrophobicContact CD1-CH2 4.14Å; L387-W394 HydrophobicContact CD1-CZ2 3.84Å; L387-W394 HydrophobicContact CG-CZ2 4.49Å; L387-F407 HydrophobicContact CB-CD2 4.19Å; L387-F407 HydrophobicContact CB-CE2 4.15Å; L387-F407 HydrophobicContact CB-CZ 4.49Å; L387-F407 HydrophobicContact CD1-CB 4.09Å; L387-F407 HydrophobicContact CD1-CD1 4.14Å; L387-F407 HydrophobicContact CD1-CD2 4.39Å; L387-F407 HydrophobicContact CD1-CG 3.96Å; L387-F407 HydrophobicContact CD2-CE1 4.37Å; L387-V411 HydrophobicContact CD1-CB 4.42Å; L387-V411 HydrophobicContact CD1-CG2 3.87Å; L387-V411 HydrophobicContact CD2-CG2 3.84Å; L387-V411 HydrophobicContact CG-CG2 4.41Å
388	H	90.1	Very high	92.3	Very high	105 Å²	105	61.1 Å²	61.1	49%	0.486	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-121.7	116.2	-174.1	-62.9	-69.4	0	0	0	110.2	G303 R304 Q386	G303-H388 PolarHBondContact O-N 3.46Å; R304-H388 HydrophobicContact CG-CB 4.24Å; Q386-H388 PolarHBondContact O-CD2 3.44Å; Q386-H388 VanDerWaalsContact O-CD2 3.25Å
389	D	88.3	Confident	92.1	Very high	20 Å²	20	61.5 Å²	61.5	11%	0.107	29%	0.29	C	S	.	.			trans	-128.3	120.5	171.7	172.6	30.9	0	0	0	109.7	V391 H392 Q393 N404 F407	D389-V391 WeakPolarHBondContact OD1-CA 3.36Å; D389-V391 WeakPolarHBondContact OD1-CB 3.39Å; D389-V391 PolarHBondContact OD1-N 3.37Å; D389-H392 PolarHBondContact OD1-N 3.17Å; D389-H392 VanDerWaalsContact OD2-CA 3.24Å; D389-H392 WeakPolarHBondContact OD2-CA 3.3Å; D389-H392 VanDerWaalsContact OD2-CB 3.24Å; D389-H392 WeakPolarHBondContact OD2-CB 3.25Å; D389-H392 PolarHBondContact OD2-N 2.74Å; D389-Q393 PolarHBondContact OD2-N 2.88Å; D389-N404 PolarHBondContact OD2-ND2 3.26Å; D389-F407 HydrophobicContact CB-CD2 4.38Å; D389-F407 HydrophobicContact CB-CE2 3.99Å
390	E	81.9	Confident	91.9	Very high	168 Å²	168	62.4 Å²	62.4	79%	0.785	30%	0.299	S	S	*	.	S	Bend	trans	-94.5	-9	177.8	-64.3	178.3	-170.8	0	0	112.2
391	V	85	Confident	91.9	Very high	111 Å²	111	62 Å²	62	67%	0.673	30%	0.297	S	S	*	.	S	Bend	trans	-99.7	-60	-171	-176.3	0	0	0	0	112.3	D389	D389-V391 WeakPolarHBondContact OD1-CA 3.36Å; D389-V391 WeakPolarHBondContact OD1-CB 3.39Å; D389-V391 PolarHBondContact OD1-N 3.37Å
392	H	86.3	Confident	91.8	Very high	26 Å²	26	63.8 Å²	63.8	12%	0.12	31%	0.305	C	S	.	.	S	Bend	trans	-94.7	-23.6	-172.3	-59.6	-87	0	0	0	113.3	S311 D389 H405	S311-H392 VanDerWaalsContact CB-NE2 3.32Å; S311-H392 WeakPolarHBondContact CB-NE2 3.5Å; S311-H392 PolarHBondContact OG-CE1 3.33Å; S311-H392 VanDerWaalsContact OG-CE1 3.29Å; S311-H392 PolarHBondContact OG-NE2 2.8Å; D389-H392 PolarHBondContact OD1-N 3.17Å; D389-H392 VanDerWaalsContact OD2-CA 3.24Å; D389-H392 WeakPolarHBondContact OD2-CA 3.3Å; D389-H392 VanDerWaalsContact OD2-CB 3.24Å; D389-H392 WeakPolarHBondContact OD2-CB 3.25Å; D389-H392 PolarHBondContact OD2-N 2.74Å; H392-H405 HydrophobicContact CB-CB 4.09Å
393	Q	89.1	Confident	91.8	Very high	134 Å²	134	63.7 Å²	63.7	63%	0.626	30%	0.304	S	S	*	.			trans	61.6	150.7	-173.8	-54.5	-178.6	-30.4	0	0	112.6	D389 N404	D389-Q393 PolarHBondContact OD2-N 2.88Å; Q393-N404 PolarHBondContact O-ND2 2.95Å; Q393-N404 VanDerWaalsContact O-ND2 3.16Å
394	W	94.5	Very high	91.9	Very high	33 Å²	33	59.2 Å²	59.2	13%	0.125	29%	0.285	C	S	.	.			trans	-74.7	135.7	174.2	-73	87.7	0	0	0	110.9	R384 L387 E402 N404 F407	R384-W394 HydrophobicContact CB-CD2 4.47Å; R384-W394 HydrophobicContact CB-CE3 4.25Å; R384-W394 HydrophobicContact CB-CH2 3.94Å; R384-W394 HydrophobicContact CB-CZ2 4.16Å; R384-W394 HydrophobicContact CB-CZ3 3.99Å; R384-W394 VanDerWaalsContact CD-CD2 3.45Å; R384-W394 HydrophobicContact CG-CD2 3.73Å; R384-W394 HydrophobicContact CG-CE3 3.99Å; R384-W394 HydrophobicContact CG-CG 4.32Å; R384-W394 HydrophobicContact CG-CH2 4.06Å; R384-W394 HydrophobicContact CG-CZ2 3.8Å; R384-W394 HydrophobicContact CG-CZ3 4.14Å; L387-W394 HydrophobicContact CB-CZ2 3.84Å; L387-W394 HydrophobicContact CD1-CH2 4.14Å; L387-W394 HydrophobicContact CD1-CZ2 3.84Å; L387-W394 HydrophobicContact CG-CZ2 4.49Å; W394-E402 HydrophobicContact CE3-CB 4.31Å; W394-N404 HydrophobicContact CD2-CB 3.87Å; W394-N404 HydrophobicContact CE3-CB 3.77Å; W394-N404 HydrophobicContact CH2-CB 3.93Å; W394-N404 HydrophobicContact CZ2-CB 4.03Å; W394-N404 HydrophobicContact CZ3-CB 3.81Å; W394-F407 HydrophobicContact CH2-CB 3.67Å; W394-F407 HydrophobicContact CH2-CD2 4.49Å; W394-F407 HydrophobicContact CH2-CG 4.47Å; W394-F407 HydrophobicContact CZ2-CB 3.74Å; W394-F407 AromaticContact CZ2-CD2 3.7Å; W394-F407 HydrophobicContact CZ2-CD2 3.7Å; W394-F407 HydrophobicContact CZ2-CG 4.06Å
395	R	95.8	Very high	92.1	Very high	87 Å²	87	54.8 Å²	54.8	33%	0.328	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	159.8	177	-62.1	-177.4	-169.4	-176.8	3	110.3	E402 F403 K497	R395-E402 CarbonylContact O-C 3.52Å; R395-E402 VanDerWaalsContact O-CA 3.23Å; R395-E402 WeakPolarHBondContact O-CA 3.42Å; R395-F403 HydrophobicContact CB-CD1 4.39Å; R395-F403 HydrophobicContact CB-CE1 3.79Å; R395-F403 HydrophobicContact CB-CE2 4.11Å; R395-F403 HydrophobicContact CB-CZ 3.64Å; R395-F403 HydrophobicContact CG-CZ 4.47Å; R395-F403 PolarHBondContact N-O 2.84Å; R395-F403 PolarHBondContact O-N 2.64Å; R395-K497 PolarHBondContact NH1-O 3.33Å
396	R	96.6	Very high	92.8	Very high	157 Å²	157	49.7 Å²	49.7	59%	0.592	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.1	166.6	-76.6	-176.6	-164	-169	-0.1	109.6	L401 E402	R396-L401 VanDerWaalsContact CA-O 3.31Å; R396-L401 WeakPolarHBondContact CA-O 3.1Å; R396-E402 HydrophobicContact CG-CG 3.5Å; R396-E402 VanDerWaalsContact CG-CG 3.5Å; R396-E402 IonicContact CZ-OE1 3.35Å; R396-E402 IonicContact NE-OE1 3.91Å; R396-E402 PolarHBondContact NE-OE1 3.4Å; R396-E402 IonicContact NH2-OE1 3.74Å; R396-E402 PolarHBondContact NH2-OE1 3.09Å; R396-E402 VanDerWaalsContact NH2-OE1 3.08Å
397	N	97.8	Very high	93.3	Very high	9 Å²	9	46 Å²	46	5%	0.048	22%	0.224	C	C	.	.			trans	-83.4	-178.6	173.1	83.4	-10	0	0	0	111.3	V399 G400 L401 F403 T496 H523 W525 E527	N397-V399 PolarHBondContact O-N 2.78Å; N397-V399 VanDerWaalsContact OD1-CG2 3.26Å; N397-V399 WeakPolarHBondContact OD1-CG2 3.43Å; N397-V399 PolarHBondContact OD1-N 2.81Å; N397-G400 PolarHBondContact O-N 3.45Å; N397-G400 PolarHBondContact OD1-N 3.05Å; N397-L401 PolarHBondContact N-O 3.06Å; N397-L401 WeakPolarHBondContact OD1-CB 3.33Å; N397-L401 PolarHBondContact OD1-N 2.96Å; N397-F403 HydrophobicContact CB-CD1 4.03Å; N397-F403 HydrophobicContact CB-CE1 3.88Å; N397-T496 WeakPolarHBondContact CA-OG1 3.29Å; N397-T496 HydrophobicContact CB-CG2 3.89Å; N397-H523 WeakPolarHBondContact CB-O 3.43Å; N397-H523 PolarHBondContact ND2-O 2.85Å; N397-W525 PolarHBondContact ND2-O 3.33Å; N397-E527 VanDerWaalsContact CB-OE1 3.27Å; N397-E527 WeakPolarHBondContact CB-OE1 3.28Å
398	G	96.3	Very high	93.6	Very high	24 Å²	24	45.6 Å²	45.6	25%	0.247	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.8	-175.1	0	0	0	0	0	113.9	M494 T496 E527	G398-M494 WeakPolarHBondContact O-CE 3.12Å; G398-T496 PolarHBondContact N-OG1 3.38Å; G398-T496 VanDerWaalsContact N-OG1 3.14Å; G398-E527 PolarHBondContact N-OE1 2.99Å
399	V	95.5	Very high	94	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.042	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	13.5	178.7	-55.8	0	0	0	0	113.2	N397 L401 M494 W525 G526 E527 E582	N397-V399 PolarHBondContact O-N 2.78Å; N397-V399 VanDerWaalsContact OD1-CG2 3.26Å; N397-V399 WeakPolarHBondContact OD1-CG2 3.43Å; N397-V399 PolarHBondContact OD1-N 2.81Å; V399-L401 HydrophobicContact CG2-CD1 3.92Å; V399-L401 HydrophobicContact CG2-CG 3.95Å; V399-M494 HydrophobicContact CG1-CE 4.32Å; V399-M494 HydrophobicContact CG1-SD 4.42Å; V399-W525 WeakPolarHBondContact CG2-O 3Å; V399-G526 WeakPolarHBondContact CG1-O 3.13Å; V399-E527 HydrophobicContact CG1-CG 4.18Å; V399-E582 HydrophobicContact CB-CB 4.46Å; V399-E582 HydrophobicContact CB-CG 4.3Å; V399-E582 HydrophobicContact CG1-CG 4Å
400	G	94.5	Very high	94.4	Very high	19 Å²	19	39.6 Å²	39.6	20%	0.196	19%	0.193	C	C	.	.	S	Bend	trans	82.9	7.5	173.5	0	0	0	0	0	116	N397	N397-G400 PolarHBondContact O-N 3.45Å; N397-G400 PolarHBondContact OD1-N 3.05Å
401	L	96.6	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.			trans	-77	130	177	-61.3	173.1	0	0	0	111	V379 R396 N397 V399 Y409 K575	V379-L401 HydrophobicContact CG1-CD1 3.86Å; R396-L401 VanDerWaalsContact CA-O 3.31Å; R396-L401 WeakPolarHBondContact CA-O 3.1Å; N397-L401 PolarHBondContact N-O 3.06Å; N397-L401 WeakPolarHBondContact OD1-CB 3.33Å; N397-L401 PolarHBondContact OD1-N 2.96Å; V399-L401 HydrophobicContact CG2-CD1 3.92Å; V399-L401 HydrophobicContact CG2-CG 3.95Å; L401-Y409 HydrophobicContact CB-CD1 4.31Å; L401-Y409 HydrophobicContact CB-CE1 3.76Å; L401-Y409 HydrophobicContact CD1-CE1 4.14Å; L401-K575 HydrophobicContact CD2-CB 3.54Å; L401-K575 HydrophobicContact CD2-CD 4.03Å; L401-K575 HydrophobicContact CD2-CG 3.7Å
402	E	96.3	Very high	95.8	Very high	45 Å²	45	26.8 Å²	26.8	21%	0.21	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	130.9	175.6	-69.3	-175.2	145.6	0	0	111.4	R384 W394 R395 R396 Y409	R384-E402 WeakPolarHBondContact CD-OE2 3.29Å; R384-E402 IonicContact NH1-OE1 3.55Å; R384-E402 PolarHBondContact NH1-OE1 3.33Å; R384-E402 VanDerWaalsContact NH1-OE1 3.1Å; R384-E402 IonicContact NH1-OE2 3.51Å; W394-E402 HydrophobicContact CE3-CB 4.31Å; R395-E402 CarbonylContact O-C 3.52Å; R395-E402 VanDerWaalsContact O-CA 3.23Å; R395-E402 WeakPolarHBondContact O-CA 3.42Å; R396-E402 HydrophobicContact CG-CG 3.5Å; R396-E402 VanDerWaalsContact CG-CG 3.5Å; R396-E402 IonicContact CZ-OE1 3.35Å; R396-E402 IonicContact NE-OE1 3.91Å; R396-E402 PolarHBondContact NE-OE1 3.4Å; R396-E402 IonicContact NH2-OE1 3.74Å; R396-E402 PolarHBondContact NH2-OE1 3.09Å; R396-E402 VanDerWaalsContact NH2-OE1 3.08Å; E402-Y409 VanDerWaalsContact O-CD1 3.31Å; E402-Y409 WeakPolarHBondContact O-CD1 2.96Å
403	F	97.3	Very high	96.3	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	164.4	178.5	72.9	-91.4	0	0	0	112.2	R395 N397 G408 Y409 T496 H523	R395-F403 HydrophobicContact CB-CD1 4.39Å; R395-F403 HydrophobicContact CB-CE1 3.79Å; R395-F403 HydrophobicContact CB-CE2 4.11Å; R395-F403 HydrophobicContact CB-CZ 3.64Å; R395-F403 HydrophobicContact CG-CZ 4.47Å; R395-F403 PolarHBondContact N-O 2.84Å; R395-F403 PolarHBondContact O-N 2.64Å; N397-F403 HydrophobicContact CB-CD1 4.03Å; N397-F403 HydrophobicContact CB-CE1 3.88Å; F403-G408 CarbonylContact C-O 3.57Å; F403-G408 VanDerWaalsContact CA-O 3.28Å; F403-G408 WeakPolarHBondContact CA-O 3.37Å; F403-Y409 HydrophobicContact CB-CD1 4.28Å; F403-Y409 HydrophobicContact CB-CE1 4.1Å; F403-T496 HydrophobicContact CE1-CG2 3.77Å; F403-T496 HydrophobicContact CZ-CG2 3.83Å; F403-H523 HydrophobicContact CD1-CB 4.17Å; F403-H523 HydrophobicContact CD2-CB 3.76Å; F403-H523 AromaticContact CD2-CD2 3.29Å; F403-H523 WeakPolarHBondContact CD2-CD2 3.45Å; F403-H523 AromaticContact CD2-CE1 3.7Å; F403-H523 AromaticContact CD2-CG 3.28Å; F403-H523 AromaticContact CD2-ND1 3.57Å; F403-H523 AromaticContact CD2-NE2 3.55Å; F403-H523 HydrophobicContact CE1-CB 4.11Å; F403-H523 HydrophobicContact CE2-CB 3.7Å; F403-H523 AromaticContact CE2-CD2 3.9Å; F403-H523 AromaticContact CE2-CE1 3.78Å; F403-H523 AromaticContact CE2-CG 3.39Å; F403-H523 AromaticContact CE2-ND1 3.34Å; F403-H523 VanDerWaalsContact CE2-ND1 3.34Å; F403-H523 WeakPolarHBondContact CE2-ND1 3.22Å; F403-H523 HydrophobicContact CG-CB 4Å; F403-H523 AromaticContact CG-CD2 3.81Å; F403-H523 AromaticContact CG-CG 3.91Å; F403-H523 HydrophobicContact CZ-CB 3.86Å
404	N	97.1	Very high	96.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-152.3	145	177.2	-178.6	-96.4	0	0	0	110.9	D389 Q393 W394 L406 F407 G408	D389-N404 PolarHBondContact OD2-ND2 3.26Å; Q393-N404 PolarHBondContact O-ND2 2.95Å; Q393-N404 VanDerWaalsContact O-ND2 3.16Å; W394-N404 HydrophobicContact CD2-CB 3.87Å; W394-N404 HydrophobicContact CE3-CB 3.77Å; W394-N404 HydrophobicContact CH2-CB 3.93Å; W394-N404 HydrophobicContact CZ2-CB 4.03Å; W394-N404 HydrophobicContact CZ3-CB 3.81Å; N404-L406 VanDerWaalsContact C-N 3.29Å; N404-L406 PolarHBondContact O-N 3.06Å; N404-L406 WeakPolarHBondContact OD1-CA 3.24Å; N404-L406 WeakPolarHBondContact OD1-CB 3.46Å; N404-L406 PolarHBondContact OD1-N 3.15Å; N404-F407 HydrophobicContact CB-CB 4.24Å; N404-F407 PolarHBondContact O-N 2.94Å; N404-F407 PolarHBondContact OD1-N 2.72Å; N404-F407 VanDerWaalsContact OD1-N 3.08Å; N404-G408 PolarHBondContact N-O 2.71Å; N404-G408 WeakPolarHBondContact O-CA 3.45Å; N404-G408 PolarHBondContact O-N 2.71Å
405	H	96.4	Very high	96.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.5	-178.8	-73.7	78	0	0	0	115.1	S311 C312 H392 I499 H523	S311-H405 WeakPolarHBondContact CA-O 3.41Å; C312-H405 PolarHBondContact N-O 3.4Å; C312-H405 VanDerWaalsContact O-O 3.06Å; H392-H405 HydrophobicContact CB-CB 4.09Å; H405-I499 WeakPolarHBondContact NE2-CB 3.44Å; H405-I499 PolarHBondContact NE2-N 2.83Å; H405-I499 PolarHBondContact NE2-O 2.82Å; H405-H523 AromaticContact CD2-CE1 3.57Å; H405-H523 AromaticContact CE1-CE1 3.43Å; H405-H523 PolarHBondContact CE1-CE1 3.29Å; H405-H523 VanDerWaalsContact CE1-CE1 3.43Å; H405-H523 AromaticContact CE1-ND1 3.81Å; H405-H523 AromaticContact CG-CE1 3.82Å; H405-H523 AromaticContact ND1-CE1 3.77Å; H405-H523 AromaticContact NE2-CE1 3.31Å; H405-H523 PolarHBondContact NE2-CE1 3.48Å; H405-H523 VanDerWaalsContact NE2-CE1 3.31Å; H405-H523 AromaticContact NE2-ND1 3.8Å
406	L	94.8	Very high	96.9	Very high	9 Å²	9	14.9 Å²	14.9	5%	0.047	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-49.3	172.3	-69.7	161.7	0	0	0	109.8	N297 T305 D309 N404	N297-L406 WeakPolarHBondContact CB-O 3.41Å; N297-L406 PolarHBondContact ND2-O 3.06Å; T305-L406 HydrophobicContact CG2-CD1 3.96Å; D309-L406 HydrophobicContact CB-CD2 4.1Å; N404-L406 VanDerWaalsContact C-N 3.29Å; N404-L406 PolarHBondContact O-N 3.06Å; N404-L406 WeakPolarHBondContact OD1-CA 3.24Å; N404-L406 WeakPolarHBondContact OD1-CB 3.46Å; N404-L406 PolarHBondContact OD1-N 3.15Å
407	F	97	Very high	97	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	0.7	-169.9	-61.2	-61.9	0	0	0	115.8	A299 S318 L387 D389 W394 N404 Y409 G410	A299-F407 HydrophobicContact CB-CD1 4.34Å; A299-F407 HydrophobicContact CB-CE1 3.8Å; S318-F407 VanDerWaalsContact OG-CA 3.29Å; S318-F407 WeakPolarHBondContact OG-CA 2.97Å; L387-F407 HydrophobicContact CB-CD2 4.19Å; L387-F407 HydrophobicContact CB-CE2 4.15Å; L387-F407 HydrophobicContact CB-CZ 4.49Å; L387-F407 HydrophobicContact CD1-CB 4.09Å; L387-F407 HydrophobicContact CD1-CD1 4.14Å; L387-F407 HydrophobicContact CD1-CD2 4.39Å; L387-F407 HydrophobicContact CD1-CG 3.96Å; L387-F407 HydrophobicContact CD2-CE1 4.37Å; D389-F407 HydrophobicContact CB-CD2 4.38Å; D389-F407 HydrophobicContact CB-CE2 3.99Å; W394-F407 HydrophobicContact CH2-CB 3.67Å; W394-F407 HydrophobicContact CH2-CD2 4.49Å; W394-F407 HydrophobicContact CH2-CG 4.47Å; W394-F407 HydrophobicContact CZ2-CB 3.74Å; W394-F407 AromaticContact CZ2-CD2 3.7Å; W394-F407 HydrophobicContact CZ2-CD2 3.7Å; W394-F407 HydrophobicContact CZ2-CG 4.06Å; N404-F407 HydrophobicContact CB-CB 4.24Å; N404-F407 PolarHBondContact O-N 2.94Å; N404-F407 PolarHBondContact OD1-N 2.72Å; N404-F407 VanDerWaalsContact OD1-N 3.08Å; F407-Y409 PolarHBondContact O-N 3.23Å; F407-G410 WeakPolarHBondContact O-CA 3.42Å; F407-G410 PolarHBondContact O-N 3.1Å
408	G	97.9	Very high	97	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	52.4	-127.3	-168.3	0	0	0	0	0	110.8	T315 F403 N404 G410	T315-G408 WeakPolarHBondContact O-CA 3.31Å; F403-G408 CarbonylContact C-O 3.57Å; F403-G408 VanDerWaalsContact CA-O 3.28Å; F403-G408 WeakPolarHBondContact CA-O 3.37Å; N404-G408 PolarHBondContact N-O 2.71Å; N404-G408 WeakPolarHBondContact O-CA 3.45Å; N404-G408 PolarHBondContact O-N 2.71Å; G408-G410 VanDerWaalsContact C-N 3.27Å; G408-G410 PolarHBondContact O-N 3.21Å
409	Y	98.2	Very high	97	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	3.2	175.4	-74.5	-81.4	0	0	0	114.4	L316 V379 S382 L401 E402 F403 F407 T522 H523 W525 K575	L316-Y409 HydrophobicContact CD1-CD2 4.23Å; L316-Y409 HydrophobicContact CD1-CE2 4.25Å; L316-Y409 WeakPolarHBondContact O-CD2 3.09Å; L316-Y409 PolarHBondContact O-N 2.53Å; V379-Y409 HydrophobicContact CB-CD2 4.22Å; V379-Y409 HydrophobicContact CB-CE2 4.46Å; V379-Y409 HydrophobicContact CB-CG 4.33Å; V379-Y409 HydrophobicContact CG1-CD1 3.84Å; V379-Y409 HydrophobicContact CG1-CD2 4.06Å; V379-Y409 HydrophobicContact CG1-CE1 3.82Å; V379-Y409 HydrophobicContact CG1-CE2 4.03Å; V379-Y409 HydrophobicContact CG1-CG 3.96Å; V379-Y409 HydrophobicContact CG2-CD2 3.72Å; V379-Y409 HydrophobicContact CG2-CE2 3.78Å; V379-Y409 HydrophobicContact CG2-CG 4.33Å; S382-Y409 WeakPolarHBondContact CB-O 3.32Å; L401-Y409 HydrophobicContact CB-CD1 4.31Å; L401-Y409 HydrophobicContact CB-CE1 3.76Å; L401-Y409 HydrophobicContact CD1-CE1 4.14Å; E402-Y409 VanDerWaalsContact O-CD1 3.31Å; E402-Y409 WeakPolarHBondContact O-CD1 2.96Å; F403-Y409 HydrophobicContact CB-CD1 4.28Å; F403-Y409 HydrophobicContact CB-CE1 4.1Å; F407-Y409 PolarHBondContact O-N 3.23Å; Y409-T522 PolarHBondContact OH-O 2.66Å; Y409-H523 PolarHBondContact OH-O 2.93Å; Y409-W525 HydrophobicContact CE2-CB 4.49Å; Y409-W525 WeakPolarHBondContact OH-CB 3.4Å; Y409-K575 PolarHBondContact O-NZ 2.82Å
410	G	97.7	Very high	97.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.			trans	115.7	-175.6	-179.1	0	0	0	0	0	113.4	A317 S318 S382 K383 F407 G408	A317-G410 WeakPolarHBondContact CA-O 3.49Å; A317-G410 WeakPolarHBondContact CB-O 3.35Å; S318-G410 PolarHBondContact N-O 3.33Å; S382-G410 WeakPolarHBondContact CB-O 3.46Å; S382-G410 PolarHBondContact OG-O 3.16Å; K383-G410 CarbonylContact O-C 3.39Å; K383-G410 WeakPolarHBondContact O-CA 3.47Å; F407-G410 WeakPolarHBondContact O-CA 3.42Å; F407-G410 PolarHBondContact O-N 3.1Å; G408-G410 VanDerWaalsContact C-N 3.27Å; G408-G410 PolarHBondContact O-N 3.21Å
411	V	97.4	Very high	97.3	Very high	7 Å²	7	10.3 Å²	10.3	4%	0.042	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-75.4	141	177.8	168.4	0	0	0	0	110.9	L111 A299 S318 F320 S382 K383 L387	L111-V411 HydrophobicContact CD2-CG1 4.43Å; A299-V411 HydrophobicContact CB-CG2 3.91Å; S318-V411 CarbonylContact O-C 3.58Å; S318-V411 WeakPolarHBondContact O-CA 3.47Å; F320-V411 HydrophobicContact CD2-CG1 4.41Å; F320-V411 HydrophobicContact CE1-CG1 4.29Å; F320-V411 HydrophobicContact CE1-CG2 4.33Å; F320-V411 HydrophobicContact CE2-CG1 3.56Å; F320-V411 HydrophobicContact CZ-CB 4.44Å; F320-V411 HydrophobicContact CZ-CG1 3.54Å; F320-V411 HydrophobicContact CZ-CG2 4.33Å; S382-V411 CarbonylContact C-O 3.52Å; S382-V411 VanDerWaalsContact CA-O 3.27Å; S382-V411 WeakPolarHBondContact CA-O 3.37Å; K383-V411 PolarHBondContact N-O 2.8Å; K383-V411 PolarHBondContact O-N 2.91Å; L387-V411 HydrophobicContact CD1-CB 4.42Å; L387-V411 HydrophobicContact CD1-CG2 3.87Å; L387-V411 HydrophobicContact CD2-CG2 3.84Å; L387-V411 HydrophobicContact CG-CG2 4.41Å
412	L	98.4	Very high	97.3	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	8%	0.079	C	C	.	.			trans	-58.4	147.1	176.6	-64.1	-173.1	0	0	0	112.5	L111 A317 S318 T319 A355 V358 F359 T378 M417	L111-L412 HydrophobicContact CD2-CB 4.27Å; A317-L412 HydrophobicContact CB-CD2 3.76Å; A317-L412 HydrophobicContact CB-CG 4.4Å; S318-L412 PolarHBondContact O-N 3.21Å; T319-L412 HydrophobicContact CG2-CB 4.13Å; T319-L412 HydrophobicContact CG2-CD1 3.61Å; T319-L412 HydrophobicContact CG2-CG 3.81Å; A355-L412 HydrophobicContact CB-CD1 3.55Å; V358-L412 HydrophobicContact CB-CD1 4.07Å; V358-L412 HydrophobicContact CG1-CB 4.41Å; V358-L412 HydrophobicContact CG1-CD1 4.17Å; V358-L412 HydrophobicContact CG2-CD1 4.37Å; F359-L412 HydrophobicContact CE1-CD1 3.88Å; F359-L412 HydrophobicContact CE1-CD2 4.3Å; F359-L412 HydrophobicContact CZ-CD1 4.06Å; T378-L412 HydrophobicContact CG2-CD2 3.7Å; L412-M417 HydrophobicContact CD2-CE 4.05Å
413	D	97.9	Very high	97.3	Very high	6 Å²	6	17.1 Å²	17.1	3%	0.032	8%	0.084	C	C	.	.			trans	-128.2	103.5	173.9	-176.4	-41.9	0	0	0	109.2	N112 K383 G415 A416 M417	N112-D413 PolarHBondContact ND2-OD1 2.82Å; N112-D413 PolarHBondContact ND2-OD2 3.47Å; K383-D413 HydrophobicContact CD-CB 4.27Å; K383-D413 WeakPolarHBondContact CD-OD2 3.34Å; K383-D413 WeakPolarHBondContact CE-OD2 3.41Å; K383-D413 IonicContact NZ-OD2 2.67Å; K383-D413 PolarHBondContact NZ-OD2 3.03Å; D413-G415 PolarHBondContact O-N 3.5Å; D413-G415 PolarHBondContact OD1-N 3.08Å; D413-G415 VanDerWaalsContact OD1-N 3.13Å; D413-A416 HydrophobicContact CB-CB 3.92Å; D413-A416 PolarHBondContact O-N 2.97Å; D413-A416 WeakPolarHBondContact OD1-CB 3.46Å; D413-A416 PolarHBondContact OD1-N 3.35Å; D413-M417 VanDerWaalsContact O-CB 3.28Å; D413-M417 WeakPolarHBondContact O-CB 3.28Å; D413-M417 PolarHBondContact O-N 3.47Å
414	A	98.4	Very high	97.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-43.5	-177.1	0	0	0	0	0	112.4	L111 V113 A116 V358 L361 A416 M417 V418	L111-A414 WeakPolarHBondContact O-CB 3.36Å; L111-A414 PolarHBondContact O-N 2.8Å; V113-A414 HydrophobicContact CB-CB 4.46Å; V113-A414 HydrophobicContact CG1-CB 3.87Å; A116-A414 HydrophobicContact CB-CB 4.11Å; V358-A414 HydrophobicContact CG1-CB 4.01Å; V358-A414 HydrophobicContact CG2-CB 4.08Å; L361-A414 HydrophobicContact CD1-CB 3.95Å; A414-A416 PolarHBondContact O-N 3.13Å; A414-M417 PolarHBondContact O-N 2.84Å; A414-V418 WeakPolarHBondContact O-CB 3.35Å; A414-V418 WeakPolarHBondContact O-CG2 3.5Å; A414-V418 PolarHBondContact O-N 3.1Å
415	G	96.4	Very high	97.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-45.6	178.1	0	0	0	0	0	112.8	N112 D413 K419	N112-G415 PolarHBondContact O-N 3.39Å; D413-G415 PolarHBondContact O-N 3.5Å; D413-G415 PolarHBondContact OD1-N 3.08Å; D413-G415 VanDerWaalsContact OD1-N 3.13Å; G415-K419 WeakPolarHBondContact O-CB 3.18Å; G415-K419 WeakPolarHBondContact O-CD 3.38Å; G415-K419 WeakPolarHBondContact O-CG 3.47Å; G415-K419 PolarHBondContact O-N 2.96Å; G415-K419 VanDerWaalsContact O-N 3.17Å
416	A	96.6	Very high	97.4	Very high	25 Å²	25	26.1 Å²	26.1	21%	0.207	13%	0.13	C	C	.	.	H	α-helix	trans	-66.9	-43.1	177.1	0	0	0	0	0	111.7	T381 D413 A414 K419 M420	T381-A416 HydrophobicContact CG2-CB 4.31Å; D413-A416 HydrophobicContact CB-CB 3.92Å; D413-A416 PolarHBondContact O-N 2.97Å; D413-A416 WeakPolarHBondContact OD1-CB 3.46Å; D413-A416 PolarHBondContact OD1-N 3.35Å; A414-A416 PolarHBondContact O-N 3.13Å; A416-K419 PolarHBondContact O-N 2.95Å; A416-M420 WeakPolarHBondContact O-CB 3.46Å; A416-M420 PolarHBondContact O-N 2.65Å
417	M	98.3	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.3	-49	179.7	-168.7	171.2	-73.4	0	0	111.8	V358 F359 A362 M374 L377 T381 L412 D413 A414 K419 M420 A421	V358-M417 HydrophobicContact CG1-CE 4.48Å; V358-M417 HydrophobicContact CG1-SD 3.84Å; F359-M417 HydrophobicContact CD1-CE 4.32Å; F359-M417 HydrophobicContact CD1-SD 3.74Å; F359-M417 HydrophobicContact CE1-CE 3.99Å; F359-M417 HydrophobicContact CE1-SD 4.04Å; A362-M417 HydrophobicContact CB-CG 3.77Å; A362-M417 HydrophobicContact CB-SD 3.94Å; M374-M417 HydrophobicContact SD-SD 4.12Å; L377-M417 HydrophobicContact CB-CE 4.45Å; L377-M417 HydrophobicContact CB-CG 4.21Å; T381-M417 WeakPolarHBondContact OG1-CE 3.5Å; L412-M417 HydrophobicContact CD2-CE 4.05Å; D413-M417 VanDerWaalsContact O-CB 3.28Å; D413-M417 WeakPolarHBondContact O-CB 3.28Å; D413-M417 PolarHBondContact O-N 3.47Å; A414-M417 PolarHBondContact O-N 2.84Å; M417-K419 PolarHBondContact O-N 2.82Å; M417-M420 PolarHBondContact O-N 2.8Å; M417-A421 VanDerWaalsContact O-CB 3.23Å; M417-A421 WeakPolarHBondContact O-CB 3.36Å; M417-A421 PolarHBondContact O-N 3.18Å
418	V	98.4	Very high	97.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-59.8	-44	177	161.4	0	0	0	0	112.2	A116 L119 Y121 L361 A365 A414 M420 A421 K422	A116-V418 HydrophobicContact CB-CB 4.42Å; A116-V418 HydrophobicContact CB-CG2 3.91Å; L119-V418 HydrophobicContact CD1-CG1 4.07Å; Y121-V418 HydrophobicContact CD2-CB 4.46Å; Y121-V418 HydrophobicContact CD2-CG1 3.13Å; Y121-V418 HydrophobicContact CE2-CG1 3.32Å; Y121-V418 HydrophobicContact CG-CG1 3.8Å; L361-V418 HydrophobicContact CB-CG2 3.79Å; A365-V418 HydrophobicContact CB-CG1 4.12Å; A414-V418 WeakPolarHBondContact O-CB 3.35Å; A414-V418 WeakPolarHBondContact O-CG2 3.5Å; A414-V418 PolarHBondContact O-N 3.1Å; V418-M420 VanDerWaalsContact C-N 3.32Å; V418-M420 PolarHBondContact O-N 2.85Å; V418-A421 PolarHBondContact O-N 2.87Å; V418-K422 PolarHBondContact O-N 3.06Å; V418-K422 VanDerWaalsContact O-N 3.15Å
419	K	96.6	Very high	97.5	Very high	83 Å²	83	35.1 Å²	35.1	36%	0.361	18%	0.176	S	C	.	.	H	α-helix	trans	-63.5	-39	178.2	-75.3	172.1	-175.3	174.2	0	112.4	E115 L119 G415 A416 M417	E115-K419 WeakPolarHBondContact OE1-CE 3.38Å; E115-K419 IonicContact OE1-NZ 3.13Å; E115-K419 PolarHBondContact OE1-NZ 3.3Å; E115-K419 IonicContact OE2-NZ 2.77Å; E115-K419 PolarHBondContact OE2-NZ 3.33Å; L119-K419 HydrophobicContact CD1-CD 4.39Å; L119-K419 HydrophobicContact CD1-CG 3.67Å; G415-K419 WeakPolarHBondContact O-CB 3.18Å; G415-K419 WeakPolarHBondContact O-CD 3.38Å; G415-K419 WeakPolarHBondContact O-CG 3.47Å; G415-K419 PolarHBondContact O-N 2.96Å; G415-K419 VanDerWaalsContact O-N 3.17Å; A416-K419 PolarHBondContact O-N 2.95Å; M417-K419 PolarHBondContact O-N 2.82Å
420	M	97.8	Very high	97.4	Very high	36 Å²	36	38.7 Å²	38.7	18%	0.177	19%	0.189	C	C	.	.	H	α-helix	trans	-73.3	-43.5	178.2	-169.9	176.7	-68.7	0	0	111	L377 L380 T381 A416 M417 V418 K422 D423 W424 L576	L377-M420 HydrophobicContact CD2-CB 3.83Å; L377-M420 HydrophobicContact CD2-CG 3.49Å; L377-M420 VanDerWaalsContact CD2-CG 3.49Å; L377-M420 HydrophobicContact CD2-SD 3.6Å; L380-M420 HydrophobicContact CB-CE 4.19Å; L380-M420 HydrophobicContact CB-SD 3.99Å; L380-M420 HydrophobicContact CD1-SD 4.14Å; T381-M420 HydrophobicContact CG2-CB 4.18Å; T381-M420 HydrophobicContact CG2-CE 3.62Å; T381-M420 HydrophobicContact CG2-SD 3.74Å; A416-M420 WeakPolarHBondContact O-CB 3.46Å; A416-M420 PolarHBondContact O-N 2.65Å; M417-M420 PolarHBondContact O-N 2.8Å; V418-M420 VanDerWaalsContact C-N 3.32Å; V418-M420 PolarHBondContact O-N 2.85Å; M420-K422 VanDerWaalsContact C-N 3.3Å; M420-K422 PolarHBondContact O-N 3.11Å; M420-D423 PolarHBondContact O-N 2.92Å; M420-W424 HydrophobicContact CG-CE3 3.84Å; M420-W424 HydrophobicContact CG-CZ3 4.11Å; M420-W424 PolarHBondContact O-N 2.84Å; M420-W424 VanDerWaalsContact O-N 3.12Å; M420-W424 HydrophobicContact SD-CE3 4.15Å; M420-W424 HydrophobicContact SD-CZ3 3.81Å; M420-L576 HydrophobicContact CE-CB 4.11Å; M420-L576 HydrophobicContact CE-CD2 4.18Å
421	A	98.3	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-54.7	-41.9	178.3	0	0	0	0	0	113	A362 A365 N366 L369 L377 M417 V418 D423 W424	A362-A421 HydrophobicContact CB-CB 4.31Å; A365-A421 HydrophobicContact CB-CB 4.19Å; N366-A421 HydrophobicContact CB-CB 4.47Å; N366-A421 VanDerWaalsContact CB-O 3.26Å; N366-A421 WeakPolarHBondContact CB-O 3.32Å; N366-A421 PolarHBondContact ND2-O 2.86Å; L369-A421 HydrophobicContact CD1-CB 3.97Å; L377-A421 HydrophobicContact CD1-CB 4.02Å; M417-A421 VanDerWaalsContact O-CB 3.23Å; M417-A421 WeakPolarHBondContact O-CB 3.36Å; M417-A421 PolarHBondContact O-N 3.18Å; V418-A421 PolarHBondContact O-N 2.87Å; A421-D423 VanDerWaalsContact C-N 3.26Å; A421-D423 PolarHBondContact O-N 2.91Å; A421-W424 WeakPolarHBondContact O-CB 3.47Å; A421-W424 PolarHBondContact O-N 2.84Å; A421-W424 VanDerWaalsContact O-N 3.1Å
422	K	96.8	Very high	97.4	Very high	128 Å²	128	45.4 Å²	45.4	56%	0.557	22%	0.219	S	C	*	.	H	α-helix	trans	-55.5	-38	-177.5	-176.2	176.7	-179.9	171.4	0	114	V418 M420	V418-K422 PolarHBondContact O-N 3.06Å; V418-K422 VanDerWaalsContact O-N 3.15Å; M420-K422 VanDerWaalsContact C-N 3.3Å; M420-K422 PolarHBondContact O-N 3.11Å
423	D	94.4	Very high	97.4	Very high	59 Å²	59	45.4 Å²	45.4	32%	0.316	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	9	-179.1	-56.7	-40.7	0	0	0	112	M420 A421 K425 R570	M420-D423 PolarHBondContact O-N 2.92Å; A421-D423 VanDerWaalsContact C-N 3.26Å; A421-D423 PolarHBondContact O-N 2.91Å; D423-K425 PolarHBondContact O-N 3Å; D423-R570 IonicContact OD2-CZ 3.18Å; D423-R570 IonicContact OD2-NE 3.83Å; D423-R570 PolarHBondContact OD2-NE 2.96Å; D423-R570 IonicContact OD2-NH2 3.99Å; D423-R570 PolarHBondContact OD2-NH2 2.98Å
424	W	97.8	Very high	97.4	Very high	13 Å²	13	49 Å²	49	5%	0.049	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-68.4	130.7	-175.2	-172.3	-99.1	0	0	0	111	N366 L369 D373 H376 L377 L380 M420 A421 V427 Y564 Q567	N366-W424 PolarHBondContact ND2-O 2.86Å; L369-W424 HydrophobicContact CD2-CB 4.02Å; L369-W424 VanDerWaalsContact CD2-CD1 3.42Å; L369-W424 HydrophobicContact CD2-CG 3.87Å; D373-W424 VanDerWaalsContact CG-NE1 3.29Å; D373-W424 PolarHBondContact OD1-NE1 3.33Å; H376-W424 HydrophobicContact CB-CH2 3.98Å; H376-W424 HydrophobicContact CB-CZ2 3.69Å; L377-W424 HydrophobicContact CD2-CD2 3.87Å; L377-W424 HydrophobicContact CD2-CE3 3.6Å; L377-W424 HydrophobicContact CD2-CG 4.36Å; L377-W424 HydrophobicContact CD2-CZ3 3.99Å; L377-W424 HydrophobicContact CG-CD2 4.34Å; L377-W424 HydrophobicContact CG-CE3 4.47Å; L380-W424 HydrophobicContact CD1-CH2 3.61Å; L380-W424 HydrophobicContact CD1-CZ3 3.8Å; M420-W424 HydrophobicContact CG-CE3 3.84Å; M420-W424 HydrophobicContact CG-CZ3 4.11Å; M420-W424 PolarHBondContact O-N 2.84Å; M420-W424 VanDerWaalsContact O-N 3.12Å; M420-W424 HydrophobicContact SD-CE3 4.15Å; M420-W424 HydrophobicContact SD-CZ3 3.81Å; A421-W424 WeakPolarHBondContact O-CB 3.47Å; A421-W424 PolarHBondContact O-N 2.84Å; A421-W424 VanDerWaalsContact O-N 3.1Å; W424-V427 HydrophobicContact CZ2-CG1 3.73Å; W424-Y564 HydrophobicContact CH2-CD1 4.04Å; W424-Y564 AromaticContact CH2-CE1 3.82Å; W424-Y564 HydrophobicContact CH2-CE1 3.82Å; W424-Y564 HydrophobicContact CZ2-CE1 4.45Å; W424-Q567 HydrophobicContact CH2-CG 4.45Å; W424-Q567 HydrophobicContact CZ3-CG 4.18Å
425	K	97.6	Very high	97.3	Very high	102 Å²	102	49.4 Å²	49.4	44%	0.443	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-97.4	132.9	168.3	-66.7	173.8	-178.8	170.2	0	108.8	D423 V427 D566 Q567	D423-K425 PolarHBondContact O-N 3Å; K425-V427 PolarHBondContact O-N 3.26Å; K425-D566 HydrophobicContact CD-CB 3.73Å; K425-D566 WeakPolarHBondContact CD-O 3.26Å; K425-D566 WeakPolarHBondContact CE-O 3.24Å; K425-D566 PolarHBondContact NZ-O 3.35Å; K425-Q567 VanDerWaalsContact N-OE1 3.08Å; K425-Q567 PolarHBondContact O-NE2 3.47Å
426	T	98.2	Very high	97.4	Very high	78 Å²	78	50.3 Å²	50.3	48%	0.479	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-55.7	135.1	179.3	-66.3	0	0	0	0	111.5	T370 D373	T370-T426 HydrophobicContact CG2-CG2 3.85Å; D373-T426 WeakPolarHBondContact OD1-CA 3.36Å; D373-T426 WeakPolarHBondContact OD2-CG2 3.48Å; D373-T426 PolarHBondContact OD2-OG1 2.88Å; D373-T426 VanDerWaalsContact OD2-OG1 3.13Å
427	V	98.3	Very high	97.4	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.042	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-64.3	157.3	178	-63.1	0	0	0	0	111.6	R372 D373 W424 K425 P563	R372-V427 HydrophobicContact CB-CG2 4.28Å; D373-V427 PolarHBondContact OD1-N 3.42Å; W424-V427 HydrophobicContact CZ2-CG1 3.73Å; K425-V427 PolarHBondContact O-N 3.26Å; V427-P563 HydrophobicContact CB-CB 4.29Å; V427-P563 HydrophobicContact CG1-CB 4.02Å
428	P	97.7	Very high	97.2	Very high	43 Å²	43	53.1 Å²	53.1	28%	0.279	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-56.6	167.8	177.2	-26	35.2	0	0	0	113.8	R372 T559	R372-P428 VanDerWaalsContact CZ-O 3.29Å; R372-P428 PolarHBondContact NH1-O 3.42Å; R372-P428 PolarHBondContact NH2-O 3.44Å; P428-T559 HydrophobicContact CB-CG2 3.96Å; P428-T559 HydrophobicContact CG-CG2 4.39Å
429	E	96.3	Very high	97	Very high	148 Å²	148	57.9 Å²	57.9	69%	0.692	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-56.6	145.4	177.4	-66.9	-174.3	161.8	0	0	112.3	F431	E429-F431 HydrophobicContact CB-CE2 3.91Å; E429-F431 HydrophobicContact CB-CZ 4.08Å; E429-F431 VanDerWaalsContact O-CD2 3.27Å; E429-F431 WeakPolarHBondContact O-CD2 3.04Å; E429-F431 WeakPolarHBondContact O-CE2 3.26Å
430	R	96.3	Very high	96.8	Very high	75 Å²	75	59.8 Å²	59.8	28%	0.283	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-83.2	130.9	179.2	-167.1	-168	66.2	104.6	-0.1	110.3	H557	R430-H557 PolarHBondContact NH1-ND1 2.83Å; R430-H557 VanDerWaalsContact NH1-ND1 3.18Å
431	F	97.9	Very high	96.7	Very high	47 Å²	47	62.5 Å²	62.5	21%	0.206	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	164.4	171.4	-61.7	-83.9	0	0	0	111.1	E429 E463 F465 V466 H557 G558 Q560	E429-F431 HydrophobicContact CB-CE2 3.91Å; E429-F431 HydrophobicContact CB-CZ 4.08Å; E429-F431 VanDerWaalsContact O-CD2 3.27Å; E429-F431 WeakPolarHBondContact O-CD2 3.04Å; E429-F431 WeakPolarHBondContact O-CE2 3.26Å; F431-E463 WeakPolarHBondContact CD1-O 3.16Å; F431-E463 WeakPolarHBondContact CE1-O 3.47Å; F431-F465 WeakPolarHBondContact CB-O 3.37Å; F431-V466 HydrophobicContact CB-CG2 3.96Å; F431-H557 WeakPolarHBondContact O-CA 3.43Å; F431-G558 PolarHBondContact N-O 3.36Å; F431-G558 PolarHBondContact O-N 3.45Å; F431-Q560 HydrophobicContact CD2-CB 4.47Å; F431-Q560 HydrophobicContact CD2-CG 3.68Å; F431-Q560 HydrophobicContact CE2-CB 4.41Å; F431-Q560 HydrophobicContact CE2-CG 3.87Å; F431-Q560 HydrophobicContact CG-CG 4.21Å
432	H	97	Very high	96.7	Very high	101 Å²	101	66.3 Å²	66.3	47%	0.468	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.5	170.8	70.8	-78.5	0	0	0	111.1	N464 L556 H557	H432-N464 WeakPolarHBondContact O-CB 3.46Å; H432-N464 PolarHBondContact O-ND2 3.12Å; H432-L556 CarbonylContact C-O 3.56Å; H432-L556 VanDerWaalsContact CA-O 3.22Å; H432-L556 WeakPolarHBondContact CA-O 3.24Å; H432-H557 WeakPolarHBondContact CB-ND1 3.2Å
433	C	98.3	Very high	96.7	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.014	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.3	177.9	173.9	0	0	0	0	110.2	G435 A458 C459 V466 L556	C433-G435 PolarHBondContact O-N 3.29Å; C433-A458 PolarHBondContact SG-O 3.2Å; C433-A458 VanDerWaalsContact SG-O 3.39Å; C433-C459 HydrophobicContact CB-CB 3.78Å; C433-C459 WeakPolarHBondContact CB-SG 3.43Å; C433-C459 WeakPolarHBondContact SG-CB 3.36Å; C433-C459 PolarHBondContact SG-N 3.28Å; C433-C459 CovalentContact SG-SG 2.04Å; C433-C459 PolarHBondContact SG-SG 3.42Å; C433-V466 HydrophobicContact CB-CB 4.42Å; C433-V466 HydrophobicContact CB-CG2 4.06Å; C433-L556 HydrophobicContact CB-CB 4.37Å; C433-L556 PolarHBondContact N-O 3.29Å; C433-L556 PolarHBondContact O-N 3.28Å
434	V	98.4	Very high	96.9	Very high	80 Å²	80	65.8 Å²	65.8	49%	0.485	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	97.3	163	-179.6	0	0	0	0	106.8	G436 T553 L554	V434-G436 PolarHBondContact O-N 3.12Å; V434-T553 HydrophobicContact CG1-CG2 3.7Å; V434-L554 CarbonylContact C-O 3.48Å
435	G	96.8	Very high	96.7	Very high	9 Å²	9	67.6 Å²	67.6	9%	0.093	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-24	-174.3	0	0	0	0	0	113.2	C433 T456 L554	C433-G435 PolarHBondContact O-N 3.29Å; G435-T456 WeakPolarHBondContact CA-OG1 3.3Å; G435-T456 WeakPolarHBondContact O-CB 3.41Å; G435-T456 PolarHBondContact O-OG1 3.06Å; G435-L554 PolarHBondContact N-O 2.65Å
436	G	97.1	Very high	96.3	Very high	20 Å²	20	65.9 Å²	65.9	21%	0.206	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.5	167.2	175.2	0	0	0	0	0	111.7	V434 L554	V434-G436 PolarHBondContact O-N 3.12Å; G436-L554 PolarHBondContact O-N 3.1Å
437	S	97.4	Very high	95.9	Very high	56 Å²	56	67.8 Å²	67.8	39%	0.392	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	143.2	177.9	-56.8	0	0	0	0	111.6	W552 T553	S437-W552 CarbonylContact C-O 3.55Å; S437-W552 WeakPolarHBondContact CA-O 3.13Å; S437-T553 WeakPolarHBondContact CB-OG1 3.3Å; S437-T553 WeakPolarHBondContact OG-CB 3.29Å; S437-T553 VanDerWaalsContact OG-CG2 3.29Å; S437-T553 WeakPolarHBondContact OG-CG2 3.37Å; S437-T553 PolarHBondContact OG-OG1 3.03Å
438	V	94.9	Very high	95.6	Very high	27 Å²	27	70.2 Å²	70.2	16%	0.164	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.3	164.6	-177.6	0	0	0	0	107	L454 E551 W552	V438-L454 HydrophobicContact CG2-CD2 3.84Å; V438-L454 HydrophobicContact CG2-CG 4.28Å; V438-E551 CarbonylContact O-C 3.55Å; V438-E551 WeakPolarHBondContact O-CA 3.21Å; V438-W552 HydrophobicContact CB-CE3 4.43Å; V438-W552 HydrophobicContact CG2-CE3 3.86Å; V438-W552 HydrophobicContact CG2-CZ3 4.26Å; V438-W552 PolarHBondContact N-O 3.08Å; V438-W552 PolarHBondContact O-N 2.86Å
439	Q	93.4	Very high	95.5	Very high	102 Å²	102	72.5 Å²	72.5	48%	0.477	40%	0.4	S	S	.	.			trans	-119.5	-6.1	-175.3	-68.6	-71.1	-28.1	0	0	112.5	K550 E551	Q439-K550 CarbonylContact C-O 3.59Å; Q439-E551 PolarHBondContact NE2-OE2 3.46Å; Q439-E551 VanDerWaalsContact NE2-OE2 3.07Å; Q439-E551 PolarHBondContact OE1-OE2 2.91Å
440	D	92.5	Very high	95.5	Very high	122 Å²	122	66.3 Å²	66.3	65%	0.652	37%	0.371	S	S	*	.	S	Bend	trans	-82.7	130.3	176.6	-68.7	-50.8	0	0	0	110.1	E442	D440-E442 PolarHBondContact O-N 3.16Å
441	P	96.1	Very high	95.6	Very high	93 Å²	93	66.6 Å²	66.6	60%	0.604	38%	0.381	S	S	*	.			trans	-65.5	123.2	-178.9	-24.2	34.1	0	0	0	113.4	V548 L549	P441-V548 HydrophobicContact CB-CG1 3.81Å; P441-L549 CarbonylContact C-O 3.58Å; P441-L549 VanDerWaalsContact CA-O 3.26Å; P441-L549 WeakPolarHBondContact CA-O 3.36Å
442	E	97.2	Very high	95.6	Very high	80 Å²	80	65.4 Å²	65.4	37%	0.374	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.4	-178.9	-74.3	-67.5	171.6	0	0	111.4	D440 L450 L452 V548 L549	D440-E442 PolarHBondContact O-N 3.16Å; E442-L450 HydrophobicContact CB-CD1 4.32Å; E442-L450 HydrophobicContact CB-CD2 3.74Å; E442-L452 HydrophobicContact CG-CD2 4.23Å; E442-V548 CarbonylContact O-C 3.48Å; E442-V548 WeakPolarHBondContact O-CA 3.48Å; E442-L549 PolarHBondContact N-O 2.99Å; E442-L549 PolarHBondContact O-N 3.33Å
443	K	97.4	Very high	95.6	Very high	168 Å²	168	64.8 Å²	64.8	73%	0.73	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	128.7	178.4	-70.8	179.8	-177.7	171.7	0	109.8	P445 V548	K443-P445 WeakPolarHBondContact O-CD 3.24Å; K443-V548 HydrophobicContact CG-CG2 4.4Å
444	I	97.6	Very high	95.5	Very high	8 Å²	8	65.8 Å²	65.8	4%	0.041	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	121.4	173.2	-51.3	171	0	0	0	108	L450 V478 L486 L537 F539 G547	I444-L450 HydrophobicContact CG1-CD2 4.17Å; I444-L450 HydrophobicContact CG2-CB 4.47Å; I444-V478 HydrophobicContact CD1-CG2 3.67Å; I444-L486 HydrophobicContact CD1-CD2 3.91Å; I444-L537 HydrophobicContact CD1-CB 4.27Å; I444-L537 HydrophobicContact CD1-CD2 4.22Å; I444-L537 HydrophobicContact CG1-CB 4.48Å; I444-L537 HydrophobicContact CG2-CB 4.48Å; I444-F539 HydrophobicContact CB-CE2 3.86Å; I444-F539 HydrophobicContact CB-CZ 4.23Å; I444-F539 HydrophobicContact CD1-CZ 4.27Å; I444-F539 HydrophobicContact CG2-CD2 4.05Å; I444-F539 HydrophobicContact CG2-CE2 3.62Å; I444-F539 HydrophobicContact CG2-CZ 4.18Å; I444-G547 PolarHBondContact N-O 2.72Å
445	P	94.1	Very high	95.5	Very high	51 Å²	51	67 Å²	67	33%	0.331	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-56.6	139.5	176.1	-25	34.7	0	0	0	111.7	K443 T447	K443-P445 WeakPolarHBondContact O-CD 3.24Å; P445-T447 VanDerWaalsContact CB-O 3.31Å; P445-T447 WeakPolarHBondContact CB-O 3.24Å; P445-T447 PolarHBondContact O-N 2.85Å
446	S	89.1	Confident	95.6	Very high	67 Å²	67	67.2 Å²	67.2	47%	0.469	39%	0.393	S	S	.	.	S	Bend	trans	-68.1	-18.2	175.2	55.7	0	0	0	0	113.2	Q545	S446-Q545 WeakPolarHBondContact CB-O 3.15Å
447	T	89.3	Confident	95.6	Very high	117 Å²	117	70.3 Å²	70.3	72%	0.718	40%	0.404	S	S	*	.	S	Bend	trans	-135.4	134.1	176.2	52.8	0	0	0	0	108.7	P445	P445-T447 VanDerWaalsContact CB-O 3.31Å; P445-T447 WeakPolarHBondContact CB-O 3.24Å; P445-T447 PolarHBondContact O-N 2.85Å
448	G	92.1	Very high	95.6	Very high	58 Å²	58	67.6 Å²	67.6	60%	0.598	39%	0.386	S	S	*	.	S	Bend	trans	88	-150.6	-174.9	0	0	0	0	0	112.1
449	K	95.9	Very high	95.8	Very high	91 Å²	91	66.7 Å²	66.7	40%	0.396	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.8	-177.8	-57.9	-174.8	-172.8	-177.6	0	111	V451 E536 L537	K449-V451 HydrophobicContact CB-CG2 4.43Å; K449-E536 HydrophobicContact CD-CB 4.15Å; K449-E536 WeakPolarHBondContact CD-OE1 3.32Å; K449-E536 IonicContact NZ-OE1 2.84Å; K449-E536 PolarHBondContact NZ-OE1 3.36Å; K449-L537 CarbonylContact C-O 3.58Å; K449-L537 VanDerWaalsContact CA-O 3.3Å; K449-L537 WeakPolarHBondContact CA-O 3.24Å
450	L	97.6	Very high	95.9	Very high	18 Å²	18	66.5 Å²	66.5	9%	0.094	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	129.8	158.7	176.6	62	0	0	0	107.6	E442 I444 L452 E536 L537 L549	E442-L450 HydrophobicContact CB-CD1 4.32Å; E442-L450 HydrophobicContact CB-CD2 3.74Å; I444-L450 HydrophobicContact CG1-CD2 4.17Å; I444-L450 HydrophobicContact CG2-CB 4.47Å; L450-L452 HydrophobicContact CD1-CD2 4.21Å; L450-L452 HydrophobicContact CD1-CG 4.4Å; L450-L452 HydrophobicContact CD2-CD1 4.24Å; L450-L452 HydrophobicContact CD2-CG 4.47Å; L450-L452 HydrophobicContact CG-CD1 4.47Å; L450-L452 HydrophobicContact CG-CG 4.17Å; L450-E536 WeakPolarHBondContact O-CA 3.09Å; L450-L537 HydrophobicContact CB-CB 4.48Å; L450-L537 HydrophobicContact CD2-CD1 4.37Å; L450-L537 PolarHBondContact N-O 3.23Å; L450-L537 PolarHBondContact O-N 2.82Å; L450-L549 HydrophobicContact CD2-CB 4.29Å; L450-L549 HydrophobicContact CD2-CD2 4.45Å
451	V	97.9	Very high	96.1	Very high	82 Å²	82	64.6 Å²	64.6	50%	0.497	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121	178.5	-174.7	0	0	0	0	107.9	K449 T534 L535 E536	K449-V451 HydrophobicContact CB-CG2 4.43Å; V451-T534 HydrophobicContact CG1-CG2 3.54Å; V451-L535 WeakPolarHBondContact CA-O 3.25Å; V451-E536 HydrophobicContact CG2-CG 4.35Å
452	L	97.4	Very high	96.1	Very high	22 Å²	22	66.3 Å²	66.3	12%	0.115	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.5	177.6	-61.7	171.9	0	0	0	109.3	E442 L450 T534 L535 L549 W552	E442-L452 HydrophobicContact CG-CD2 4.23Å; L450-L452 HydrophobicContact CD1-CD2 4.21Å; L450-L452 HydrophobicContact CD1-CG 4.4Å; L450-L452 HydrophobicContact CD2-CD1 4.24Å; L450-L452 HydrophobicContact CD2-CG 4.47Å; L450-L452 HydrophobicContact CG-CD1 4.47Å; L450-L452 HydrophobicContact CG-CG 4.17Å; L452-T534 CarbonylContact O-C 3.54Å; L452-T534 WeakPolarHBondContact O-CA 3.33Å; L452-L535 PolarHBondContact N-O 3.39Å; L452-L535 PolarHBondContact O-N 2.85Å; L452-L549 HydrophobicContact CD1-CD2 3.2Å; L452-W552 HydrophobicContact CB-CE3 3.94Å; L452-W552 HydrophobicContact CB-CZ3 3.52Å; L452-W552 HydrophobicContact CD1-CE3 4.14Å
453	T	97.1	Very high	96	Very high	87 Å²	87	71 Å²	71	53%	0.534	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.9	178.8	53.8	0	0	0	0	110.7	T532 W533 T534	T453-T532 HydrophobicContact CG2-CG2 4.18Å; T453-W533 CarbonylContact C-O 3.58Å; T453-W533 VanDerWaalsContact CA-O 3.26Å; T453-W533 WeakPolarHBondContact CA-O 3.44Å; T453-T534 HydrophobicContact CG2-CG2 4.33Å
454	L	96.9	Very high	96	Very high	23 Å²	23	65.6 Å²	65.6	12%	0.12	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.6	170.8	-74.1	176.5	0	0	0	108.1	V438 T532 W533 W552 L554	V438-L454 HydrophobicContact CG2-CD2 3.84Å; V438-L454 HydrophobicContact CG2-CG 4.28Å; L454-T532 WeakPolarHBondContact O-CA 3.16Å; L454-W533 PolarHBondContact N-O 2.92Å; L454-W533 PolarHBondContact O-N 2.69Å; L454-W552 HydrophobicContact CB-CH2 4.04Å; L454-W552 HydrophobicContact CD1-CD2 4.02Å; L454-W552 HydrophobicContact CD1-CE3 4Å; L454-W552 HydrophobicContact CD1-CH2 3.59Å; L454-W552 HydrophobicContact CD1-CZ2 3.6Å; L454-W552 HydrophobicContact CD1-CZ3 3.78Å; L454-W552 HydrophobicContact CG-CE3 4.29Å; L454-W552 HydrophobicContact CG-CH2 3.61Å; L454-W552 HydrophobicContact CG-CZ2 4.15Å; L454-W552 HydrophobicContact CG-CZ3 3.68Å; L454-L554 HydrophobicContact CD1-CB 4.18Å
455	T	98.1	Very high	96	Very high	107 Å²	107	66.4 Å²	66.4	66%	0.656	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.7	170	-56.2	0	0	0	0	108.6	G531 T532	T455-G531 WeakPolarHBondContact CA-O 3.37Å; T455-T532 PolarHBondContact OG1-OG1 2.91Å
456	T	98.1	Very high	96.2	Very high	13 Å²	13	64 Å²	64	8%	0.08	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.1	-176.3	-168.8	0	0	0	0	111.4	G435 A458 G531 L554 L556	G435-T456 WeakPolarHBondContact CA-OG1 3.3Å; G435-T456 WeakPolarHBondContact O-CB 3.41Å; G435-T456 PolarHBondContact O-OG1 3.06Å; T456-A458 PolarHBondContact OG1-N 3.35Å; T456-G531 PolarHBondContact N-O 3.38Å; T456-G531 PolarHBondContact O-N 2.61Å; T456-L554 HydrophobicContact CG2-CD2 4.48Å; T456-L556 HydrophobicContact CG2-CD1 4.27Å
457	D	97.8	Very high	96.6	Very high	84 Å²	84	61.2 Å²	61.2	45%	0.449	35%	0.354	S	S	.	.			trans	-89	6.9	165.7	63.2	7.4	0	0	0	111.6	C459 E460	D457-C459 PolarHBondContact O-N 2.88Å; D457-C459 PolarHBondContact OD1-N 3.42Å; D457-E460 HydrophobicContact CB-CB 4.12Å; D457-E460 VanDerWaalsContact O-CB 3.29Å; D457-E460 WeakPolarHBondContact O-CB 3.35Å; D457-E460 PolarHBondContact O-N 2.89Å
458	A	98	Very high	97	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	33.5	-178.1	0	0	0	0	0	114	C433 T456 F465 V466 A529 R530 L556	C433-A458 PolarHBondContact SG-O 3.2Å; C433-A458 VanDerWaalsContact SG-O 3.39Å; T456-A458 PolarHBondContact OG1-N 3.35Å; A458-F465 HydrophobicContact CB-CE2 4.4Å; A458-F465 VanDerWaalsContact O-CD2 3.28Å; A458-F465 WeakPolarHBondContact O-CD2 3.36Å; A458-V466 WeakPolarHBondContact CB-O 3.36Å; A458-V466 PolarHBondContact O-N 2.59Å; A458-V466 VanDerWaalsContact O-N 3.1Å; A458-A529 HydrophobicContact CB-CB 3.67Å; A458-R530 HydrophobicContact CB-CG 3.98Å; A458-L556 HydrophobicContact CB-CD1 3.87Å
459	C	98.3	Very high	97.3	Very high	8 Å²	8	53.1 Å²	53.1	5%	0.054	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	29.2	-177.7	-56.9	0	0	0	0	113.8	C433 D457 G461 K462 F465	C433-C459 HydrophobicContact CB-CB 3.78Å; C433-C459 WeakPolarHBondContact CB-SG 3.43Å; C433-C459 WeakPolarHBondContact SG-CB 3.36Å; C433-C459 PolarHBondContact SG-N 3.28Å; C433-C459 CovalentContact SG-SG 2.04Å; C433-C459 PolarHBondContact SG-SG 3.42Å; D457-C459 PolarHBondContact O-N 2.88Å; D457-C459 PolarHBondContact OD1-N 3.42Å; C459-G461 PolarHBondContact O-N 3.28Å; C459-K462 HydrophobicContact CB-CD 4.29Å; C459-K462 WeakPolarHBondContact O-CB 3.27Å; C459-K462 PolarHBondContact O-N 3.09Å; C459-K462 VanDerWaalsContact O-N 3.12Å; C459-F465 WeakPolarHBondContact O-CB 2.97Å
460	E	96.7	Very high	97.4	Very high	97 Å²	97	48.8 Å²	48.8	45%	0.453	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	137	176.5	-171.3	170.4	-128.5	0	0	112.2	D457 K462 F465 R530	D457-E460 HydrophobicContact CB-CB 4.12Å; D457-E460 VanDerWaalsContact O-CB 3.29Å; D457-E460 WeakPolarHBondContact O-CB 3.35Å; D457-E460 PolarHBondContact O-N 2.89Å; E460-K462 VanDerWaalsContact C-N 3.29Å; E460-K462 PolarHBondContact O-N 3.28Å; E460-F465 VanDerWaalsContact CA-CD2 3.44Å; E460-F465 HydrophobicContact CB-CD2 4.04Å; E460-F465 HydrophobicContact CB-CE2 3.91Å; E460-F465 HydrophobicContact CG-CE2 4.31Å; E460-F465 HydrophobicContact CG-CZ 4.49Å; E460-R530 IonicContact OE1-CZ 3.7Å; E460-R530 IonicContact OE1-NH1 2.74Å; E460-R530 PolarHBondContact OE1-NH1 3.3Å
461	G	95.4	Very high	97.5	Very high	82 Å²	82	48 Å²	48	85%	0.845	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	1.6	-177.2	0	0	0	0	0	115.7	C459	C459-G461 PolarHBondContact O-N 3.28Å
462	K	96.6	Very high	97.5	Very high	130 Å²	130	44.1 Å²	44.1	57%	0.565	25%	0.246	S	C	*	.	S	Bend	trans	-109	162.4	174.2	-59	174.9	-175.1	165.7	0	111.5	C459 E460 N464 F465	C459-K462 HydrophobicContact CB-CD 4.29Å; C459-K462 WeakPolarHBondContact O-CB 3.27Å; C459-K462 PolarHBondContact O-N 3.09Å; C459-K462 VanDerWaalsContact O-N 3.12Å; E460-K462 VanDerWaalsContact C-N 3.29Å; E460-K462 PolarHBondContact O-N 3.28Å; K462-N464 WeakPolarHBondContact CB-OD1 3.38Å; K462-N464 PolarHBondContact O-N 3.27Å; K462-N464 VanDerWaalsContact O-N 3.13Å; K462-F465 WeakPolarHBondContact O-CB 3.47Å; K462-F465 PolarHBondContact O-N 2.98Å
463	E	95.6	Very high	97.6	Very high	179 Å²	179	43.8 Å²	43.8	84%	0.836	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-18.7	177.1	-66.3	-177.1	172.2	0	0	113.7	F431 Q560	F431-E463 WeakPolarHBondContact CD1-O 3.16Å; F431-E463 WeakPolarHBondContact CE1-O 3.47Å; E463-Q560 PolarHBondContact O-NE2 3.43Å
464	N	96.5	Very high	97.7	Very high	53 Å²	53	39.7 Å²	39.7	28%	0.283	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	22.6	-178.4	76	-45.8	0	0	0	113.2	H432 K462	H432-N464 WeakPolarHBondContact O-CB 3.46Å; H432-N464 PolarHBondContact O-ND2 3.12Å; K462-N464 WeakPolarHBondContact CB-OD1 3.38Å; K462-N464 PolarHBondContact O-N 3.27Å; K462-N464 VanDerWaalsContact O-N 3.13Å
465	F	98.3	Very high	97.7	Very high	26 Å²	26	39.7 Å²	39.7	11%	0.114	22%	0.22	C	C	.	.			trans	-54.2	140.6	173.4	176.5	-134	0	0	0	110.9	F431 A458 C459 E460 K462 R467 R530 Q560	F431-F465 WeakPolarHBondContact CB-O 3.37Å; A458-F465 HydrophobicContact CB-CE2 4.4Å; A458-F465 VanDerWaalsContact O-CD2 3.28Å; A458-F465 WeakPolarHBondContact O-CD2 3.36Å; C459-F465 WeakPolarHBondContact O-CB 2.97Å; E460-F465 VanDerWaalsContact CA-CD2 3.44Å; E460-F465 HydrophobicContact CB-CD2 4.04Å; E460-F465 HydrophobicContact CB-CE2 3.91Å; E460-F465 HydrophobicContact CG-CE2 4.31Å; E460-F465 HydrophobicContact CG-CZ 4.49Å; K462-F465 WeakPolarHBondContact O-CB 3.47Å; K462-F465 PolarHBondContact O-N 2.98Å; F465-R467 HydrophobicContact CE1-CB 3.73Å; F465-R467 HydrophobicContact CE1-CG 4.44Å; F465-R467 HydrophobicContact CE2-CB 4.38Å; F465-R467 HydrophobicContact CZ-CB 3.61Å; F465-R467 HydrophobicContact CZ-CG 4.11Å; F465-R530 HydrophobicContact CE2-CG 4.45Å; F465-Q560 HydrophobicContact CB-CG 3.98Å; F465-Q560 HydrophobicContact CD1-CB 4.27Å; F465-Q560 HydrophobicContact CD1-CG 4Å; F465-Q560 HydrophobicContact CG-CG 4.34Å; F465-Q560 WeakPolarHBondContact O-CG 3.29Å; F465-Q560 PolarHBondContact O-NE2 3.06Å
466	V	98.3	Very high	97.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.			trans	-128.6	113.5	172.6	176.2	0	0	0	0	107.6	F431 C433 A458 L469 A529 L556	F431-V466 HydrophobicContact CB-CG2 3.96Å; C433-V466 HydrophobicContact CB-CB 4.42Å; C433-V466 HydrophobicContact CB-CG2 4.06Å; A458-V466 WeakPolarHBondContact CB-O 3.36Å; A458-V466 PolarHBondContact O-N 2.59Å; A458-V466 VanDerWaalsContact O-N 3.1Å; V466-L469 HydrophobicContact CG1-CD2 4.07Å; V466-A529 WeakPolarHBondContact O-CB 3.35Å; V466-L556 HydrophobicContact CB-CB 4.4Å; V466-L556 HydrophobicContact CG1-CB 4.32Å
467	R	96.2	Very high	97.8	Very high	9 Å²	9	34.3 Å²	34.3	3%	0.034	19%	0.187	C	C	.	.			trans	-97	-61.5	175.7	-173.3	172.8	172.8	167.9	10.1	110.3	F465 D528 A529 T559 E586 E587 E590	F465-R467 HydrophobicContact CE1-CB 3.73Å; F465-R467 HydrophobicContact CE1-CG 4.44Å; F465-R467 HydrophobicContact CE2-CB 4.38Å; F465-R467 HydrophobicContact CZ-CB 3.61Å; F465-R467 HydrophobicContact CZ-CG 4.11Å; R467-D528 VanDerWaalsContact O-CA 3.31Å; R467-D528 WeakPolarHBondContact O-CA 3.47Å; R467-A529 PolarHBondContact O-N 3.23Å; R467-T559 PolarHBondContact N-O 2.71Å; R467-E586 IonicContact NH2-OE2 2.91Å; R467-E587 IonicContact CZ-OE1 3.26Å; R467-E587 IonicContact NH1-OE1 3.35Å; R467-E587 PolarHBondContact NH1-OE1 3.48Å; R467-E587 VanDerWaalsContact NH1-OE1 3.16Å; R467-E590 VanDerWaalsContact CZ-CD 3.41Å; R467-E590 IonicContact CZ-OE1 3.94Å; R467-E590 VanDerWaalsContact CZ-OE1 3.29Å; R467-E590 IonicContact CZ-OE2 2.65Å; R467-E590 VanDerWaalsContact NH1-CD 3.25Å; R467-E590 IonicContact NH1-OE1 3.32Å; R467-E590 PolarHBondContact NH1-OE1 3.36Å; R467-E590 IonicContact NH1-OE2 3.03Å; R467-E590 PolarHBondContact NH1-OE2 3.2Å; R467-E590 IonicContact NH2-OE1 2.75Å; R467-E590 PolarHBondContact NH2-OE1 3.29Å; R467-E590 VanDerWaalsContact NH2-OE1 3.15Å; R467-E590 IonicContact NH2-OE2 3.95Å; R467-E590 PolarHBondContact NH2-OE2 3.07Å
468	Y	97.8	Very high	97.8	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	115.3	-176	-54	-81.8	0	0	0	110	G558 T559 S561 A562 E583 E586 E587	Y468-G558 VanDerWaalsContact O-CA 3.26Å; Y468-G558 WeakPolarHBondContact O-CA 3.46Å; Y468-T559 PolarHBondContact N-O 3.46Å; Y468-T559 PolarHBondContact O-N 3.03Å; Y468-S561 VanDerWaalsContact CD2-C 3.47Å; Y468-S561 WeakPolarHBondContact CD2-O 3.05Å; Y468-S561 VanDerWaalsContact CE2-C 3.4Å; Y468-A562 HydrophobicContact CE2-CB 3.98Å; Y468-E583 HydrophobicContact CD1-CG 4.21Å; Y468-E583 HydrophobicContact CE1-CB 4.48Å; Y468-E583 HydrophobicContact CE1-CG 3.82Å; Y468-E586 WeakPolarHBondContact CE1-OE2 3.35Å; Y468-E587 PolarHBondContact OH-OE1 2.85Å
469	L	98.7	Very high	97.7	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	145.4	-174.9	-70.5	174	0	0	0	113.6	V466 V472 T524 G526 E527 A529 W533 L556	V466-L469 HydrophobicContact CG1-CD2 4.07Å; L469-V472 HydrophobicContact CD1-CG2 3.92Å; L469-V472 HydrophobicContact CD2-CG2 3.78Å; L469-V472 HydrophobicContact CG-CG2 4.34Å; L469-T524 WeakPolarHBondContact CB-O 3.47Å; L469-G526 PolarHBondContact O-N 2.75Å; L469-E527 WeakPolarHBondContact CB-O 3.2Å; L469-E527 HydrophobicContact CD1-CB 4.19Å; L469-E527 WeakPolarHBondContact CG-O 3.49Å; L469-E527 PolarHBondContact N-O 3.27Å; L469-A529 HydrophobicContact CD1-CB 4.18Å; L469-A529 HydrophobicContact CD2-CB 3.58Å; L469-A529 HydrophobicContact CG-CB 3.8Å; L469-W533 HydrophobicContact CD1-CH2 3.8Å; L469-W533 HydrophobicContact CD1-CZ2 3.74Å; L469-L556 HydrophobicContact CD2-CB 4.15Å; L469-L556 HydrophobicContact CD2-CD2 4Å
470	E	98.8	Very high	97.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-71.8	164.3	-68	168.6	-177.6	0	0	108.5	R372 H376 W525 H557	R372-E470 IonicContact CZ-OE1 3.06Å; R372-E470 IonicContact CZ-OE2 3.93Å; R372-E470 IonicContact NE-OE1 2.64Å; R372-E470 PolarHBondContact NE-OE1 3.07Å; R372-E470 IonicContact NE-OE2 3.91Å; R372-E470 PolarHBondContact NE-OE2 2.89Å; R372-E470 IonicContact NH2-OE1 3.59Å; R372-E470 PolarHBondContact NH2-OE1 3.37Å; R372-E470 IonicContact NH2-OE2 3.15Å; H376-E470 IonicContact CE1-OE1 3.65Å; H376-E470 IonicContact NE2-OE1 3.66Å; H376-E470 PolarHBondContact NE2-OE1 2.8Å; H376-E470 VanDerWaalsContact NE2-OE1 3.11Å; E470-W525 HydrophobicContact CB-CD2 4.46Å; E470-W525 HydrophobicContact CB-CE3 4.45Å; E470-W525 HydrophobicContact CB-CH2 3.93Å; E470-W525 HydrophobicContact CB-CZ2 3.96Å; E470-W525 HydrophobicContact CB-CZ3 4.19Å; E470-W525 HydrophobicContact CG-CH2 4.28Å; E470-W525 HydrophobicContact CG-CZ2 3.84Å; E470-H557 PolarHBondContact N-O 2.02Å
471	H	98.8	Very high	97.7	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144	179.6	-47.8	83.5	0	0	0	110.1	M291 Q375 W525 H557	M291-H471 HydrophobicContact CB-CB 4.16Å; M291-H471 PolarHBondContact O-NE2 3.49Å; Q375-H471 PolarHBondContact OE1-CE1 2.88Å; Q375-H471 PolarHBondContact OE1-NE2 2.91Å; Q375-H471 VanDerWaalsContact OE1-NE2 3.14Å; H471-W525 AromaticContact CE1-CH2 3.86Å; H471-W525 AromaticContact CE1-CZ3 3.93Å; H471-W525 AromaticContact NE2-CZ3 3.77Å; H471-H557 HydrophobicContact CB-CB 4.16Å; H471-H557 PolarHBondContact N-O 2.89Å; H471-H557 WeakPolarHBondContact O-CB 3.11Å; H471-H557 PolarHBondContact O-N 3.38Å
472	V	98.8	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133	171	-178.9	0	0	0	0	109.3	L469 M490 M520 T521 T524 W533 L554 M555 L556	L469-V472 HydrophobicContact CD1-CG2 3.92Å; L469-V472 HydrophobicContact CD2-CG2 3.78Å; L469-V472 HydrophobicContact CG-CG2 4.34Å; V472-M490 HydrophobicContact CB-CE 4.18Å; V472-M490 HydrophobicContact CG1-CE 3.5Å; V472-M490 HydrophobicContact CG1-SD 4.24Å; V472-M520 CarbonylContact O-C 3.45Å; V472-M520 WeakPolarHBondContact O-CA 3.03Å; V472-T521 HydrophobicContact CB-CG2 3.92Å; V472-T521 PolarHBondContact N-O 3.02Å; V472-T521 VanDerWaalsContact N-O 3.09Å; V472-T521 PolarHBondContact O-N 3.12Å; V472-T524 WeakPolarHBondContact CG2-OG1 3.43Å; V472-W533 HydrophobicContact CG1-CH2 4.08Å; V472-W533 HydrophobicContact CG1-CZ3 4.02Å; V472-W533 HydrophobicContact CG2-CH2 3.89Å; V472-L554 HydrophobicContact CG1-CD1 3.64Å; V472-M555 WeakPolarHBondContact CA-O 3.39Å; V472-L556 HydrophobicContact CG1-CD2 4.11Å; V472-L556 HydrophobicContact CG2-CD2 4.2Å
473	Q	98.8	Very high	97.8	Very high	15 Å²	15	25.2 Å²	25.2	7%	0.07	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.5	174.6	-62.9	179.7	-50.6	0	0	111.1	F519 M520 M555 H557	Q473-F519 CarbonylContact C-O 3.53Å; Q473-F519 WeakPolarHBondContact CA-O 3.3Å; Q473-M520 HydrophobicContact CG-CB 4.16Å; Q473-M520 HydrophobicContact CG-CG 4.01Å; Q473-M555 HydrophobicContact CB-CB 4.26Å; Q473-M555 HydrophobicContact CB-CE 4.16Å; Q473-M555 PolarHBondContact N-O 2.86Å; Q473-M555 PolarHBondContact O-N 2.95Å; Q473-H557 PolarHBondContact OE1-NE2 2.97Å
474	A	98.5	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	101.2	163.8	0	0	0	0	0	108.3	I476 M490 L500 F519	A474-I476 HydrophobicContact CB-CD1 4.07Å; A474-I476 HydrophobicContact CB-CG1 4.26Å; A474-I476 PolarHBondContact O-N 3.19Å; A474-M490 HydrophobicContact CB-SD 4.21Å; A474-L500 HydrophobicContact CB-CD1 3.64Å; A474-F519 PolarHBondContact N-O 2.77Å; A474-F519 PolarHBondContact O-N 3.32Å; A474-F519 VanDerWaalsContact O-N 3.13Å
475	V	98.5	Very high	97.9	Very high	24 Å²	24	14.5 Å²	14.5	15%	0.145	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	110.5	177.2	-173.4	0	0	0	0	108.3	K516 W517 P518 W552 T553 M555	V475-K516 HydrophobicContact CG1-CB 4.15Å; V475-W517 WeakPolarHBondContact CA-O 3.25Å; V475-P518 HydrophobicContact CG2-CB 4.18Å; V475-W552 CarbonylContact O-C 3.59Å; V475-W552 WeakPolarHBondContact O-CA 3.49Å; V475-T553 PolarHBondContact N-O 3.27Å; V475-T553 PolarHBondContact O-N 3.23Å; V475-M555 HydrophobicContact CG2-CE 3.52Å; V475-M555 HydrophobicContact CG2-CG 4.06Å; V475-M555 HydrophobicContact CG2-SD 3.94Å
476	I	98.5	Very high	97.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.6	-168.4	-67.6	174.5	0	0	0	111.1	A474 V478 I488 K516 W517 F519 L535 L549 W552	A474-I476 HydrophobicContact CB-CD1 4.07Å; A474-I476 HydrophobicContact CB-CG1 4.26Å; A474-I476 PolarHBondContact O-N 3.19Å; I476-V478 HydrophobicContact CG2-CB 3.91Å; I476-V478 HydrophobicContact CG2-CG1 3.71Å; I476-I488 HydrophobicContact CD1-CD1 4.17Å; I476-I488 HydrophobicContact CD1-CG2 3.92Å; I476-K516 PolarHBondContact O-N 2.81Å; I476-W517 PolarHBondContact N-O 2.79Å; I476-W517 PolarHBondContact O-N 3.22Å; I476-F519 HydrophobicContact CB-CD2 4.16Å; I476-F519 HydrophobicContact CB-CE2 4.14Å; I476-F519 HydrophobicContact CD1-CD2 3.94Å; I476-F519 HydrophobicContact CD1-CE2 4.31Å; I476-F519 HydrophobicContact CG1-CD2 4.34Å; I476-L535 HydrophobicContact CD1-CD1 4.13Å; I476-L535 HydrophobicContact CD1-CD2 3.92Å; I476-L535 HydrophobicContact CG1-CD2 4.47Å; I476-L549 HydrophobicContact CG2-CD1 3.65Å; I476-W552 HydrophobicContact CG1-CB 4.47Å
477	T	98.5	Very high	97.9	Very high	7 Å²	7	14.5 Å²	14.5	4%	0.043	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.6	163.2	-57.7	0	0	0	0	108.7	F514 K516 K550 E551	T477-F514 CarbonylContact C-O 3.58Å; T477-F514 VanDerWaalsContact CA-O 3.26Å; T477-F514 WeakPolarHBondContact CA-O 3.29Å; T477-K516 PolarHBondContact OG1-N 2.89Å; T477-K550 HydrophobicContact CG2-CB 4.09Å; T477-K550 HydrophobicContact CG2-CD 3.95Å; T477-K550 HydrophobicContact CG2-CG 4.44Å; T477-K550 PolarHBondContact O-N 3.45Å; T477-E551 HydrophobicContact CG2-CG 4.37Å; T477-E551 PolarHBondContact N-O 3.07Å; T477-E551 PolarHBondContact O-N 2.95Å; T477-E551 VanDerWaalsContact OG1-CG 3.31Å; T477-E551 WeakPolarHBondContact OG1-CG 3.48Å; T477-E551 PolarHBondContact OG1-OE1 3.16Å
478	V	98.2	Very high	98	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	136.4	-177	61.6	0	0	0	0	109.9	I444 I476 L486 G513 F514 L537 V548 L549	I444-V478 HydrophobicContact CD1-CG2 3.67Å; I476-V478 HydrophobicContact CG2-CB 3.91Å; I476-V478 HydrophobicContact CG2-CG1 3.71Å; V478-L486 HydrophobicContact CG1-CD1 4.05Å; V478-L486 HydrophobicContact CG2-CD1 4.42Å; V478-G513 CarbonylContact O-C 3.46Å; V478-G513 VanDerWaalsContact O-CA 3.29Å; V478-G513 WeakPolarHBondContact O-CA 3.29Å; V478-F514 HydrophobicContact CG1-CB 4.06Å; V478-F514 HydrophobicContact CG1-CD2 3.84Å; V478-F514 HydrophobicContact CG1-CG 4.43Å; V478-F514 PolarHBondContact N-O 2.66Å; V478-F514 PolarHBondContact O-N 2.86Å; V478-L537 HydrophobicContact CG2-CD2 4.36Å; V478-V548 WeakPolarHBondContact CA-O 3.4Å; V478-L549 HydrophobicContact CB-CD1 4.13Å
479	N	96.9	Very high	98	Very high	58 Å²	58	14.4 Å²	14.4	31%	0.31	8%	0.076	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151.8	167.8	68.2	17.5	0	0	0	111	G547 V548	N479-G547 CarbonylContact O-C 3.53Å; N479-G547 WeakPolarHBondContact O-CA 3.29Å; N479-V548 PolarHBondContact N-O 3.25Å; N479-V548 PolarHBondContact O-N 3.04Å; N479-V548 WeakPolarHBondContact OD1-CB 3.48Å; N479-V548 PolarHBondContact OD1-N 3.12Å; N479-V548 PolarHBondContact OD1-O 2.83Å
480	A	96.6	Very high	98	Very high	7 Å²	7	14.4 Å²	14.4	6%	0.058	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.3	175.2	0	0	0	0	0	110.3	R482 L486 F539 K546	A480-R482 PolarHBondContact O-N 3.29Å; A480-L486 HydrophobicContact CB-CD1 3.8Å; A480-L486 HydrophobicContact CB-CD2 4.16Å; A480-L486 HydrophobicContact CB-CG 3.91Å; A480-F539 HydrophobicContact CB-CE1 3.88Å; A480-F539 HydrophobicContact CB-CZ 4.31Å; A480-K546 CarbonylContact C-O 3.52Å; A480-K546 WeakPolarHBondContact CA-O 3.43Å
481	T	96.7	Very high	98	Very high	67 Å²	67	15.7 Å²	15.7	41%	0.411	8%	0.084	S	C	.	.	S	Bend	trans	-65.3	-20.1	169.8	49.1	0	0	0	0	112.3	S510 Q545 K546	T481-S510 WeakPolarHBondContact O-CB 3.28Å; T481-Q545 PolarHBondContact OG1-OE1 3.32Å; T481-K546 HydrophobicContact CG2-CB 4Å; T481-K546 PolarHBondContact N-O 3.11Å; T481-K546 PolarHBondContact OG1-N 3.32Å; T481-K546 PolarHBondContact OG1-O 2.93Å
482	R	97.3	Very high	98	Very high	51 Å²	51	15.8 Å²	15.8	19%	0.192	9%	0.085	C	C	.	.			trans	-153	107.3	170.2	-168.1	174.8	-169.6	-82.1	-15.1	110.2	A480 G484 D485 P505 D507 D509 Q545	A480-R482 PolarHBondContact O-N 3.29Å; R482-G484 PolarHBondContact O-N 3.4Å; R482-D485 WeakPolarHBondContact CD-OD2 3.34Å; R482-D485 IonicContact CZ-OD1 2.83Å; R482-D485 IonicContact NH1-OD1 2.99Å; R482-D485 PolarHBondContact NH1-OD1 3.49Å; R482-D485 IonicContact NH1-OD2 3.58Å; R482-D485 PolarHBondContact O-N 2.87Å; R482-P505 PolarHBondContact NH2-O 2.58Å; R482-D507 PolarHBondContact NH2-O 2.94Å; R482-D509 CarbonylContact C-O 3.55Å; R482-D509 VanDerWaalsContact CA-O 3.29Å; R482-D509 WeakPolarHBondContact CA-O 3.15Å; R482-Q545 HydrophobicContact CB-CG 4.28Å
483	R	97.7	Very high	98	Very high	25 Å²	25	17.8 Å²	17.8	9%	0.094	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-61.4	-40.3	-176.1	-171.3	174.3	63.9	-176.4	-2.4	112.7	K241 V243 D485 L486 D507 D509 G513 F514	K241-R483 PolarHBondContact O-NH2 3.33Å; V243-R483 VanDerWaalsContact CG2-CZ 3.44Å; R483-D485 PolarHBondContact O-N 3.14Å; R483-D485 VanDerWaalsContact O-N 3.13Å; R483-L486 HydrophobicContact CG-CD1 4.29Å; R483-L486 VanDerWaalsContact O-CB 3.27Å; R483-L486 WeakPolarHBondContact O-CB 3.19Å; R483-L486 PolarHBondContact O-N 2.74Å; R483-D507 WeakPolarHBondContact CG-OD2 3.45Å; R483-D507 IonicContact CZ-OD1 3.34Å; R483-D507 IonicContact CZ-OD2 3.29Å; R483-D507 IonicContact NE-OD1 3.21Å; R483-D507 PolarHBondContact NE-OD1 3.28Å; R483-D507 IonicContact NE-OD2 3.19Å; R483-D507 PolarHBondContact NE-OD2 2.78Å; R483-D507 IonicContact NH2-OD1 3.13Å; R483-D507 PolarHBondContact NH2-OD1 3.24Å; R483-D507 VanDerWaalsContact NH2-OD1 3.13Å; R483-D507 IonicContact NH2-OD2 2.7Å; R483-D507 PolarHBondContact NH2-OD2 2.82Å; R483-D509 HydrophobicContact CB-CB 3.99Å; R483-D509 PolarHBondContact N-O 3.13Å; R483-G513 WeakPolarHBondContact CD-O 3.09Å; R483-G513 PolarHBondContact NH1-O 2.74Å; R483-F514 HydrophobicContact CG-CD2 4.02Å; R483-F514 HydrophobicContact CG-CE2 3.44Å; R483-F514 VanDerWaalsContact CG-CE2 3.44Å; R483-F514 HydrophobicContact CG-CZ 3.95Å
484	G	97.6	Very high	97.9	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.021	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-65.9	-13.2	-179.9	0	0	0	0	0	116.5	R482 R503 R504 D507	R482-G484 PolarHBondContact O-N 3.4Å; G484-R503 VanDerWaalsContact O-CG 3.27Å; G484-R503 WeakPolarHBondContact O-CG 3.42Å; G484-R504 CarbonylContact C-O 3.58Å; G484-R504 WeakPolarHBondContact CA-O 3.26Å; G484-R504 CarbonylContact O-C 3.56Å; G484-R504 PolarHBondContact O-N 2.79Å; G484-D507 VanDerWaalsContact CA-O 3.27Å; G484-D507 WeakPolarHBondContact CA-O 3.32Å; G484-D507 PolarHBondContact N-O 3.19Å; G484-D507 VanDerWaalsContact N-O 3.08Å
485	D	97.3	Very high	97.9	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.027	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-90.4	-8.2	172.5	-74.6	-7.8	0	0	0	112	R482 R483 R503 F539 V540 Q545	R482-D485 WeakPolarHBondContact CD-OD2 3.34Å; R482-D485 IonicContact CZ-OD1 2.83Å; R482-D485 IonicContact NH1-OD1 2.99Å; R482-D485 PolarHBondContact NH1-OD1 3.49Å; R482-D485 IonicContact NH1-OD2 3.58Å; R482-D485 PolarHBondContact O-N 2.87Å; R483-D485 PolarHBondContact O-N 3.14Å; R483-D485 VanDerWaalsContact O-N 3.13Å; D485-R503 IonicContact OD1-NE 2.88Å; D485-R503 IonicContact OD1-NH2 3.57Å; D485-F539 HydrophobicContact CB-CD1 4.35Å; D485-F539 CarbonylContact O-C 3.53Å; D485-F539 VanDerWaalsContact O-CA 3.22Å; D485-F539 WeakPolarHBondContact O-CA 3.17Å; D485-V540 PolarHBondContact O-N 3.4Å; D485-Q545 HydrophobicContact CB-CG 3.85Å; D485-Q545 WeakPolarHBondContact OD2-CG 3.23Å; D485-Q545 PolarHBondContact OD2-NE2 3.01Å
486	L	97.6	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	138.2	174.7	-73.5	168.1	0	0	0	110.5	I444 V478 A480 R483 L501 F514 F539	I444-L486 HydrophobicContact CD1-CD2 3.91Å; V478-L486 HydrophobicContact CG1-CD1 4.05Å; V478-L486 HydrophobicContact CG2-CD1 4.42Å; A480-L486 HydrophobicContact CB-CD1 3.8Å; A480-L486 HydrophobicContact CB-CD2 4.16Å; A480-L486 HydrophobicContact CB-CG 3.91Å; R483-L486 HydrophobicContact CG-CD1 4.29Å; R483-L486 VanDerWaalsContact O-CB 3.27Å; R483-L486 WeakPolarHBondContact O-CB 3.19Å; R483-L486 PolarHBondContact O-N 2.74Å; L486-L501 HydrophobicContact CB-CD2 4.09Å; L486-F514 HydrophobicContact CD1-CD2 4.32Å; L486-F514 HydrophobicContact CD1-CE2 4.24Å; L486-F539 HydrophobicContact CD2-CD1 3.91Å; L486-F539 HydrophobicContact CD2-CE1 3.32Å; L486-F539 HydrophobicContact CD2-CZ 3.94Å; L486-F539 HydrophobicContact CG-CD1 4.36Å; L486-F539 HydrophobicContact CG-CE1 3.91Å
487	N	97.5	Very high	97.9	Very high	27 Å²	27	24.8 Å²	24.8	14%	0.144	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130	166.3	176	-112.2	0	0	0	108.8	N489 L501 L537 G538 V540	N487-N489 PolarHBondContact OD1-ND2 3.24Å; N487-L501 WeakPolarHBondContact CA-O 3.4Å; N487-L501 PolarHBondContact ND2-O 3.17Å; N487-L537 WeakPolarHBondContact O-CA 3.14Å; N487-G538 PolarHBondContact N-O 2.78Å; N487-G538 PolarHBondContact O-N 3.26Å; N487-V540 HydrophobicContact CB-CG2 3.64Å
488	I	98.6	Very high	97.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.2	-177.1	-53.5	176.1	0	0	0	108.2	I476 L500 L501 F519 L535 E536 L537	I476-I488 HydrophobicContact CD1-CD1 4.17Å; I476-I488 HydrophobicContact CD1-CG2 3.92Å; I488-L500 HydrophobicContact CB-CB 4.3Å; I488-L500 HydrophobicContact CG2-CB 4.1Å; I488-L500 HydrophobicContact CG2-CD1 4.18Å; I488-L500 PolarHBondContact O-N 3.1Å; I488-L501 HydrophobicContact CB-CB 4Å; I488-L501 HydrophobicContact CD1-CB 4.22Å; I488-L501 HydrophobicContact CD1-CD2 4.03Å; I488-L501 HydrophobicContact CG1-CB 4.1Å; I488-L501 HydrophobicContact CG1-CD2 4.3Å; I488-L501 PolarHBondContact N-O 3.26Å; I488-L501 VanDerWaalsContact N-O 3.08Å; I488-L501 PolarHBondContact O-N 3.16Å; I488-L501 VanDerWaalsContact O-N 3.12Å; I488-F519 HydrophobicContact CD1-CD2 4.46Å; I488-F519 HydrophobicContact CD1-CE2 3.81Å; I488-F519 HydrophobicContact CD1-CZ 3.94Å; I488-L535 HydrophobicContact CG2-CD1 3.73Å; I488-E536 WeakPolarHBondContact CA-O 3.42Å; I488-L537 HydrophobicContact CD1-CD2 4.47Å; I488-L537 HydrophobicContact CG1-CD2 4.34Å; I488-L537 HydrophobicContact CG1-CG 4.41Å
489	N	98.4	Very high	97.9	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.043	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.7	172.9	-49.4	-75.1	0	0	0	110.1	N487 S498 E536	N487-N489 PolarHBondContact OD1-ND2 3.24Å; N489-S498 CarbonylContact C-O 3.58Å; N489-S498 VanDerWaalsContact CA-O 3.28Å; N489-S498 WeakPolarHBondContact CA-O 3.03Å; N489-E536 HydrophobicContact CB-CB 4.35Å; N489-E536 PolarHBondContact N-O 2.9Å; N489-E536 PolarHBondContact O-N 3.35Å
490	M	98.5	Very high	98	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.5	173.8	-177.9	168	67.4	0	0	109.9	V472 A474 K497 S498 L500 T521 W533 T534 L535 L554	V472-M490 HydrophobicContact CB-CE 4.18Å; V472-M490 HydrophobicContact CG1-CE 3.5Å; V472-M490 HydrophobicContact CG1-SD 4.24Å; A474-M490 HydrophobicContact CB-SD 4.21Å; M490-K497 CarbonylContact O-C 3.51Å; M490-K497 WeakPolarHBondContact O-CA 3.37Å; M490-S498 PolarHBondContact N-O 3.41Å; M490-S498 PolarHBondContact O-N 2.82Å; M490-L500 HydrophobicContact CB-CD1 3.72Å; M490-L500 HydrophobicContact CB-CG 4.02Å; M490-L500 HydrophobicContact CE-CD1 4.29Å; M490-L500 HydrophobicContact CE-CD2 4.24Å; M490-L500 HydrophobicContact SD-CD1 4.36Å; M490-T521 HydrophobicContact CE-CG2 3.42Å; M490-T521 VanDerWaalsContact CE-CG2 3.42Å; M490-W533 HydrophobicContact CE-CE3 4.46Å; M490-W533 HydrophobicContact CE-CZ3 4.04Å; M490-W533 HydrophobicContact CG-CE3 3.92Å; M490-W533 HydrophobicContact CG-CZ3 4.23Å; M490-W533 HydrophobicContact SD-CE3 3.89Å; M490-W533 HydrophobicContact SD-CZ3 4.09Å; M490-T534 CarbonylContact C-O 3.57Å; M490-T534 VanDerWaalsContact CA-O 3.3Å; M490-T534 WeakPolarHBondContact CA-O 3.43Å; M490-L535 HydrophobicContact CB-CD1 4.39Å; M490-L554 HydrophobicContact SD-CD1 4.08Å
491	T	98.8	Very high	98	Very high	29 Å²	29	22.7 Å²	22.7	18%	0.178	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.5	176	-51	0	0	0	0	109.6	T496 T534	T491-T496 VanDerWaalsContact CA-O 3.31Å; T491-T496 WeakPolarHBondContact CA-O 3.28Å; T491-T534 PolarHBondContact N-O 3.19Å; T491-T534 PolarHBondContact O-N 2.91Å
492	S	98.8	Very high	98	Very high	4 Å²	4	20.6 Å²	20.6	3%	0.028	12%	0.118	C	C	.	.			trans	-74.6	165.8	177	74.6	0	0	0	0	112.3	M494 G495 T496 E527	S492-M494 PolarHBondContact O-N 2.92Å; S492-M494 PolarHBondContact OG-N 3.26Å; S492-G495 PolarHBondContact O-N 3.21Å; S492-T496 PolarHBondContact N-O 3.38Å; S492-T496 WeakPolarHBondContact OG-CB 3.04Å; S492-T496 PolarHBondContact OG-N 3.39Å; S492-T496 VanDerWaalsContact OG-N 3.07Å; S492-E527 WeakPolarHBondContact CB-OE2 3.47Å; S492-E527 PolarHBondContact OG-OE2 2.99Å
493	P	98.5	Very high	97.9	Very high	42 Å²	42	22.8 Å²	22.8	27%	0.273	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.8	175.2	-26.6	36.1	0	0	0	113.6	G495 R530 T532 W533	P493-G495 PolarHBondContact O-N 3.39Å; P493-R530 WeakPolarHBondContact CB-O 3.38Å; P493-R530 VanDerWaalsContact CG-O 3.27Å; P493-R530 WeakPolarHBondContact CG-O 3.37Å; P493-T532 WeakPolarHBondContact CA-O 3.49Å; P493-W533 HydrophobicContact CG-CD2 4.42Å; P493-W533 HydrophobicContact CG-CG 4.34Å; P493-W533 HydrophobicContact CG-CZ2 4.44Å
494	M	97.9	Very high	97.9	Very high	65 Å²	65	21.7 Å²	21.7	32%	0.32	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	3.5	176.5	-58.2	-176.6	80.6	0	0	113.3	G398 V399 S492 E527	G398-M494 WeakPolarHBondContact O-CE 3.12Å; V399-M494 HydrophobicContact CG1-CE 4.32Å; V399-M494 HydrophobicContact CG1-SD 4.42Å; S492-M494 PolarHBondContact O-N 2.92Å; S492-M494 PolarHBondContact OG-N 3.26Å; M494-E527 HydrophobicContact CB-CG 4.47Å; M494-E527 HydrophobicContact CG-CB 4.38Å; M494-E527 HydrophobicContact CG-CG 4.47Å; M494-E527 HydrophobicContact SD-CB 3.48Å; M494-E527 WeakPolarHBondContact SD-CB 3.4Å; M494-E527 HydrophobicContact SD-CG 3.57Å; M494-E527 VanDerWaalsContact SD-CG 3.57Å
495	G	98.2	Very high	97.8	Very high	51 Å²	51	23.8 Å²	23.8	53%	0.526	14%	0.135	S	C	.	.			trans	91.2	6.9	173.8	0	0	0	0	0	115.2	S492 P493 K497	S492-G495 PolarHBondContact O-N 3.21Å; P493-G495 PolarHBondContact O-N 3.39Å; G495-K497 PolarHBondContact O-N 3.43Å
496	T	98.6	Very high	97.8	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.031	15%	0.154	C	C	.	.			trans	-76	117.1	180	-64.2	0	0	0	0	111	N397 G398 F403 T491 S492 H523 T524 E527	N397-T496 WeakPolarHBondContact CA-OG1 3.29Å; N397-T496 HydrophobicContact CB-CG2 3.89Å; G398-T496 PolarHBondContact N-OG1 3.38Å; G398-T496 VanDerWaalsContact N-OG1 3.14Å; F403-T496 HydrophobicContact CE1-CG2 3.77Å; F403-T496 HydrophobicContact CZ-CG2 3.83Å; T491-T496 VanDerWaalsContact CA-O 3.31Å; T491-T496 WeakPolarHBondContact CA-O 3.28Å; S492-T496 PolarHBondContact N-O 3.38Å; S492-T496 WeakPolarHBondContact OG-CB 3.04Å; S492-T496 PolarHBondContact OG-N 3.39Å; S492-T496 VanDerWaalsContact OG-N 3.07Å; T496-H523 HydrophobicContact CG2-CB 4.23Å; T496-T524 HydrophobicContact CG2-CG2 3.97Å; T496-E527 WeakPolarHBondContact CB-OE1 3.49Å; T496-E527 PolarHBondContact OG1-OE1 2.78Å
497	K	98.2	Very high	97.8	Very high	65 Å²	65	29 Å²	29	28%	0.283	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.8	-178.4	-178	165.6	177.8	155.4	0	112.5	R395 M490 G495 E536	R395-K497 PolarHBondContact NH1-O 3.33Å; M490-K497 CarbonylContact O-C 3.51Å; M490-K497 WeakPolarHBondContact O-CA 3.37Å; G495-K497 PolarHBondContact O-N 3.43Å; K497-E536 WeakPolarHBondContact CE-OE2 3.46Å; K497-E536 IonicContact NZ-OE1 3.85Å; K497-E536 IonicContact NZ-OE2 3.11Å; K497-E536 PolarHBondContact NZ-OE2 3.21Å
498	S	98.2	Very high	97.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.9	174.3	-62.7	0	0	0	0	111.3	N489 M490 L500 T521 H523	N489-S498 CarbonylContact C-O 3.58Å; N489-S498 VanDerWaalsContact CA-O 3.28Å; N489-S498 WeakPolarHBondContact CA-O 3.03Å; M490-S498 PolarHBondContact N-O 3.41Å; M490-S498 PolarHBondContact O-N 2.82Å; S498-L500 PolarHBondContact O-N 3Å; S498-T521 WeakPolarHBondContact CB-OG1 3.24Å; S498-T521 PolarHBondContact OG-OG1 3.3Å; S498-H523 PolarHBondContact OG-ND1 2.79Å
499	I	97.9	Very high	97.7	Very high	25 Å²	25	33.7 Å²	33.7	13%	0.128	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	111.1	163	-50.8	166.2	0	0	0	107.1	S313 H405 S502	S313-I499 WeakPolarHBondContact CB-O 3.47Å; S313-I499 PolarHBondContact OG-O 2.96Å; H405-I499 WeakPolarHBondContact NE2-CB 3.44Å; H405-I499 PolarHBondContact NE2-N 2.83Å; H405-I499 PolarHBondContact NE2-O 2.82Å; I499-S502 WeakPolarHBondContact CG2-OG 3.37Å
500	L	98.4	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-31.2	178.9	-65.3	-173.2	0	0	0	111.8	N283 S313 A474 I488 M490 S498 F519 T521 L535	N283-L500 WeakPolarHBondContact CB-O 3.45Å; N283-L500 PolarHBondContact ND2-O 3.19Å; S313-L500 WeakPolarHBondContact OG-CD2 3.43Å; A474-L500 HydrophobicContact CB-CD1 3.64Å; I488-L500 HydrophobicContact CB-CB 4.3Å; I488-L500 HydrophobicContact CG2-CB 4.1Å; I488-L500 HydrophobicContact CG2-CD1 4.18Å; I488-L500 PolarHBondContact O-N 3.1Å; M490-L500 HydrophobicContact CB-CD1 3.72Å; M490-L500 HydrophobicContact CB-CG 4.02Å; M490-L500 HydrophobicContact CE-CD1 4.29Å; M490-L500 HydrophobicContact CE-CD2 4.24Å; M490-L500 HydrophobicContact SD-CD1 4.36Å; S498-L500 PolarHBondContact O-N 3Å; L500-F519 HydrophobicContact CB-CB 4.07Å; L500-F519 HydrophobicContact CB-CD1 4.43Å; L500-F519 HydrophobicContact CB-CG 4.37Å; L500-F519 HydrophobicContact CD1-CB 4.09Å; L500-F519 HydrophobicContact CG-CB 4.47Å; L500-F519 WeakPolarHBondContact O-CD1 3.43Å; L500-T521 HydrophobicContact CD2-CG2 4.33Å; L500-L535 HydrophobicContact CD1-CD1 4.31Å
501	L	98.4	Very high	97.3	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	119.5	174.6	179.5	64.9	0	0	0	109.9	D281 L486 N487 I488 F514 F519	D281-L501 HydrophobicContact CB-CD1 4.29Å; L486-L501 HydrophobicContact CB-CD2 4.09Å; N487-L501 WeakPolarHBondContact CA-O 3.4Å; N487-L501 PolarHBondContact ND2-O 3.17Å; I488-L501 HydrophobicContact CB-CB 4Å; I488-L501 HydrophobicContact CD1-CB 4.22Å; I488-L501 HydrophobicContact CD1-CD2 4.03Å; I488-L501 HydrophobicContact CG1-CB 4.1Å; I488-L501 HydrophobicContact CG1-CD2 4.3Å; I488-L501 PolarHBondContact N-O 3.26Å; I488-L501 VanDerWaalsContact N-O 3.08Å; I488-L501 PolarHBondContact O-N 3.16Å; I488-L501 VanDerWaalsContact O-N 3.12Å; L501-F514 HydrophobicContact CD1-CZ 4.32Å; L501-F514 HydrophobicContact CD2-CE2 3.48Å; L501-F514 VanDerWaalsContact CD2-CE2 3.48Å; L501-F514 HydrophobicContact CD2-CZ 3.61Å; L501-F519 HydrophobicContact CB-CD1 4.43Å; L501-F519 HydrophobicContact CB-CE1 3.87Å; L501-F519 HydrophobicContact CB-CZ 4.38Å; L501-F519 HydrophobicContact CD1-CE1 4.21Å; L501-F519 HydrophobicContact CD2-CE1 4.26Å; L501-F519 HydrophobicContact CD2-CZ 4.14Å; L501-F519 HydrophobicContact CG-CE1 4.33Å
502	S	96.1	Very high	97.1	Very high	22 Å²	22	48.9 Å²	48.9	15%	0.154	26%	0.26	C	S	.	.			trans	-83.6	162.3	170.5	-55.3	0	0	0	0	111	D281 I499 R504	D281-S502 WeakPolarHBondContact OD2-CB 3.2Å; D281-S502 PolarHBondContact OD2-N 3.22Å; D281-S502 PolarHBondContact OD2-OG 3.33Å; D281-S502 VanDerWaalsContact OD2-OG 3.06Å; I499-S502 WeakPolarHBondContact CG2-OG 3.37Å; S502-R504 PolarHBondContact O-N 3.24Å
503	R	95.6	Very high	97	Very high	98 Å²	98	48.8 Å²	48.8	37%	0.37	26%	0.259	S	S	.	.			trans	-63	129.3	174.8	-176.7	-168.1	-176.4	-143	-3.5	109.3	G484 D485 P505 V540	G484-R503 VanDerWaalsContact O-CG 3.27Å; G484-R503 WeakPolarHBondContact O-CG 3.42Å; D485-R503 IonicContact OD1-NE 2.88Å; D485-R503 IonicContact OD1-NH2 3.57Å; R503-P505 WeakPolarHBondContact O-CD 3.36Å; R503-V540 HydrophobicContact CB-CB 4.32Å; R503-V540 HydrophobicContact CB-CG1 4.44Å; R503-V540 WeakPolarHBondContact CD-O 3.47Å; R503-V540 HydrophobicContact CG-CB 4.49Å; R503-V540 WeakPolarHBondContact CG-O 3.32Å; R503-V540 PolarHBondContact NE-O 3.32Å
504	R	97.3	Very high	96.9	Very high	2 Å²	2	47 Å²	47	1%	0.008	25%	0.247	C	C	.	.			trans	-111.8	96.1	174	-60	-163.4	-53.5	157.1	0.1	110.2	K241 T242 D280 D281 C284 G484 S502 R506 D507	K241-R504 PolarHBondContact O-NH2 2.81Å; K241-R504 VanDerWaalsContact O-NH2 3.15Å; T242-R504 PolarHBondContact O-NH1 2.92Å; T242-R504 PolarHBondContact O-NH2 2.61Å; D280-R504 WeakPolarHBondContact OD1-CD 3.21Å; D280-R504 IonicContact OD1-CZ 3.78Å; D280-R504 IonicContact OD1-NH1 3.77Å; D280-R504 PolarHBondContact OD1-NH1 3.39Å; D281-R504 HydrophobicContact CB-CG 4.29Å; C284-R504 VanDerWaalsContact SG-CZ 3.52Å; G484-R504 CarbonylContact C-O 3.58Å; G484-R504 WeakPolarHBondContact CA-O 3.26Å; G484-R504 CarbonylContact O-C 3.56Å; G484-R504 PolarHBondContact O-N 2.79Å; S502-R504 PolarHBondContact O-N 3.24Å; R504-R506 PolarHBondContact O-N 2.98Å; R504-D507 HydrophobicContact CB-CB 4Å; R504-D507 IonicContact CZ-OD2 3.04Å; R504-D507 IonicContact NE-OD2 2.93Å; R504-D507 IonicContact NH2-OD2 2.71Å; R504-D507 PolarHBondContact NH2-OD2 3.3Å; R504-D507 PolarHBondContact O-N 3.19Å; R504-D507 VanDerWaalsContact O-N 3.15Å
505	P	95.9	Very high	96.9	Very high	45 Å²	45	49.5 Å²	49.5	29%	0.292	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.3	-169.3	-24.5	35.5	0	0	0	114.4	Y279 R482 R503	Y279-P505 HydrophobicContact CD1-CG 4.3Å; R482-P505 PolarHBondContact NH2-O 2.58Å; R503-P505 WeakPolarHBondContact O-CD 3.36Å
506	R	96.6	Very high	96.8	Very high	111 Å²	111	53.4 Å²	53.4	42%	0.419	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-23.8	-178.9	-67.8	179.1	-177.3	173	3.8	112.5	N239 K241 R504 D508	N239-R506 WeakPolarHBondContact O-CD 3.31Å; K241-R506 HydrophobicContact CD-CB 4.4Å; K241-R506 VanDerWaalsContact CD-O 3.29Å; K241-R506 WeakPolarHBondContact CD-O 3.37Å; K241-R506 WeakPolarHBondContact CE-O 3.5Å; K241-R506 HydrophobicContact CG-CB 3.77Å; K241-R506 WeakPolarHBondContact CG-O 3.41Å; K241-R506 PolarHBondContact NZ-O 2.91Å; R504-R506 PolarHBondContact O-N 2.98Å; R506-D508 PolarHBondContact O-N 2.91Å; R506-D508 VanDerWaalsContact O-N 3.08Å
507	D	97.7	Very high	96.8	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.016	27%	0.269	C	S	.	.			trans	-73	98.9	-178.2	-175.1	11.7	0	0	0	111.3	G240 R482 R483 G484 R504 D509	G240-D507 WeakPolarHBondContact O-CB 3.46Å; G240-D507 PolarHBondContact O-N 3.32Å; R482-D507 PolarHBondContact NH2-O 2.94Å; R483-D507 WeakPolarHBondContact CG-OD2 3.45Å; R483-D507 IonicContact CZ-OD1 3.34Å; R483-D507 IonicContact CZ-OD2 3.29Å; R483-D507 IonicContact NE-OD1 3.21Å; R483-D507 PolarHBondContact NE-OD1 3.28Å; R483-D507 IonicContact NE-OD2 3.19Å; R483-D507 PolarHBondContact NE-OD2 2.78Å; R483-D507 IonicContact NH2-OD1 3.13Å; R483-D507 PolarHBondContact NH2-OD1 3.24Å; R483-D507 VanDerWaalsContact NH2-OD1 3.13Å; R483-D507 IonicContact NH2-OD2 2.7Å; R483-D507 PolarHBondContact NH2-OD2 2.82Å; G484-D507 VanDerWaalsContact CA-O 3.27Å; G484-D507 WeakPolarHBondContact CA-O 3.32Å; G484-D507 PolarHBondContact N-O 3.19Å; G484-D507 VanDerWaalsContact N-O 3.08Å; R504-D507 HydrophobicContact CB-CB 4Å; R504-D507 IonicContact CZ-OD2 3.04Å; R504-D507 IonicContact NE-OD2 2.93Å; R504-D507 IonicContact NH2-OD2 2.71Å; R504-D507 PolarHBondContact NH2-OD2 3.3Å; R504-D507 PolarHBondContact O-N 3.19Å; R504-D507 VanDerWaalsContact O-N 3.15Å; D507-D509 WeakPolarHBondContact OD1-CB 3.21Å; D507-D509 PolarHBondContact OD1-N 3.28Å
508	D	96.4	Very high	96.8	Very high	97 Å²	97	53.7 Å²	53.7	52%	0.519	27%	0.269	S	S	.	.			trans	-99.7	16	179.4	59.7	-36.9	0	0	0	113.4	K241 R506 S510	K241-D508 IonicContact NZ-OD1 3.62Å; K241-D508 PolarHBondContact NZ-OD1 2.92Å; R506-D508 PolarHBondContact O-N 2.91Å; R506-D508 VanDerWaalsContact O-N 3.08Å; D508-S510 PolarHBondContact O-N 2.91Å
509	D	97.4	Very high	96.8	Very high	29 Å²	29	53.7 Å²	53.7	16%	0.155	27%	0.269	C	S	.	.			trans	-57.8	130.9	174.7	177.6	-111.8	0	0	0	111.1	R482 R483 D507 K511 V512 G513	R482-D509 CarbonylContact C-O 3.55Å; R482-D509 VanDerWaalsContact CA-O 3.29Å; R482-D509 WeakPolarHBondContact CA-O 3.15Å; R483-D509 HydrophobicContact CB-CB 3.99Å; R483-D509 PolarHBondContact N-O 3.13Å; D507-D509 WeakPolarHBondContact OD1-CB 3.21Å; D507-D509 PolarHBondContact OD1-N 3.28Å; D509-K511 PolarHBondContact OD2-N 3.12Å; D509-V512 PolarHBondContact OD1-N 2.91Å; D509-V512 VanDerWaalsContact OD1-N 3.11Å; D509-V512 PolarHBondContact OD2-N 3.03Å; D509-G513 PolarHBondContact OD1-N 2.77Å
510	S	95.5	Very high	96.9	Very high	72 Å²	72	52.6 Å²	52.6	50%	0.503	26%	0.263	S	S	.	.			trans	-131.8	7.3	-179	52.2	0	0	0	0	111.9	T481 D508	T481-S510 WeakPolarHBondContact O-CB 3.28Å; D508-S510 PolarHBondContact O-N 2.91Å
511	K	93.9	Very high	96.9	Very high	189 Å²	189	52.6 Å²	52.6	82%	0.822	26%	0.263	S	S	*	.	S	Bend	trans	-117.4	-43.6	-170	-64.2	-178.7	-177.3	175.6	0	112.2	D509	D509-K511 PolarHBondContact OD2-N 3.12Å
512	V	92.9	Very high	96.9	Very high	98 Å²	98	52.6 Å²	52.6	59%	0.594	26%	0.263	S	S	*	.			trans	-99.4	-52.9	-169.1	-175.5	0	0	0	0	110.5	D509	D509-V512 PolarHBondContact OD1-N 2.91Å; D509-V512 VanDerWaalsContact OD1-N 3.11Å; D509-V512 PolarHBondContact OD2-N 3.03Å
513	G	96.4	Very high	97	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.01	26%	0.256	C	S	.	.			trans	73.2	-135.8	-166	0	0	0	0	0	111.1	V478 R483 D509	V478-G513 CarbonylContact O-C 3.46Å; V478-G513 VanDerWaalsContact O-CA 3.29Å; V478-G513 WeakPolarHBondContact O-CA 3.29Å; R483-G513 WeakPolarHBondContact CD-O 3.09Å; R483-G513 PolarHBondContact NH1-O 2.74Å; D509-G513 PolarHBondContact OD1-N 2.77Å
514	F	98.3	Very high	97.2	Very high	5 Å²	5	46.9 Å²	46.9	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.5	168.7	-64.8	-85.9	0	0	0	108.6	V243 T477 V478 R483 L486 L501 W517 F519	V243-F514 HydrophobicContact CB-CE1 4.38Å; V243-F514 HydrophobicContact CG1-CD1 4.03Å; V243-F514 HydrophobicContact CG1-CE1 3.8Å; V243-F514 HydrophobicContact CG2-CD1 4.49Å; V243-F514 HydrophobicContact CG2-CE1 3.68Å; V243-F514 HydrophobicContact CG2-CZ 4.2Å; T477-F514 CarbonylContact C-O 3.58Å; T477-F514 VanDerWaalsContact CA-O 3.26Å; T477-F514 WeakPolarHBondContact CA-O 3.29Å; V478-F514 HydrophobicContact CG1-CB 4.06Å; V478-F514 HydrophobicContact CG1-CD2 3.84Å; V478-F514 HydrophobicContact CG1-CG 4.43Å; V478-F514 PolarHBondContact N-O 2.66Å; V478-F514 PolarHBondContact O-N 2.86Å; R483-F514 HydrophobicContact CG-CD2 4.02Å; R483-F514 HydrophobicContact CG-CE2 3.44Å; R483-F514 VanDerWaalsContact CG-CE2 3.44Å; R483-F514 HydrophobicContact CG-CZ 3.95Å; L486-F514 HydrophobicContact CD1-CD2 4.32Å; L486-F514 HydrophobicContact CD1-CE2 4.24Å; L501-F514 HydrophobicContact CD1-CZ 4.32Å; L501-F514 HydrophobicContact CD2-CE2 3.48Å; L501-F514 VanDerWaalsContact CD2-CE2 3.48Å; L501-F514 HydrophobicContact CD2-CZ 3.61Å; F514-W517 HydrophobicContact CB-CB 3.85Å; F514-W517 HydrophobicContact CD1-CB 3.77Å; F514-W517 AromaticContact CD1-CD1 3.9Å; F514-W517 HydrophobicContact CD1-CD2 4.3Å; F514-W517 AromaticContact CD1-CG 3.68Å; F514-W517 HydrophobicContact CD1-CG 3.68Å; F514-W517 HydrophobicContact CE1-CG 4.32Å; F514-W517 HydrophobicContact CG-CB 4.23Å; F514-F519 HydrophobicContact CD1-CE2 4.22Å; F514-F519 AromaticContact CD1-CZ 3.67Å; F514-F519 HydrophobicContact CD1-CZ 3.67Å; F514-F519 HydrophobicContact CD2-CE2 4.45Å; F514-F519 HydrophobicContact CD2-CZ 4Å; F514-F519 HydrophobicContact CE1-CE1 4.11Å; F514-F519 AromaticContact CE1-CZ 3.56Å; F514-F519 HydrophobicContact CE1-CZ 3.56Å; F514-F519 AromaticContact CE2-CZ 3.91Å; F514-F519 HydrophobicContact CE2-CZ 3.91Å; F514-F519 HydrophobicContact CG-CE2 4.18Å; F514-F519 AromaticContact CG-CZ 3.89Å; F514-F519 HydrophobicContact CG-CZ 3.89Å; F514-F519 HydrophobicContact CZ-CE1 4.25Å; F514-F519 AromaticContact CZ-CZ 3.7Å; F514-F519 HydrophobicContact CZ-CZ 3.7Å
515	D	96.9	Very high	97.2	Very high	117 Å²	117	46.8 Å²	46.8	63%	0.626	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	111.5	177.3	-173	35.9	0	0	0	108.7	W517	D515-W517 PolarHBondContact O-N 2.92Å
516	K	96.9	Very high	97.3	Very high	133 Å²	133	44.9 Å²	44.9	58%	0.578	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	45	39	-175.1	-64.4	-176.3	176.8	-175.5	0	113.7	V475 I476 T477 P518 E551	V475-K516 HydrophobicContact CG1-CB 4.15Å; I476-K516 PolarHBondContact O-N 2.81Å; T477-K516 PolarHBondContact OG1-N 2.89Å; K516-P518 WeakPolarHBondContact O-CD 3.46Å; K516-E551 WeakPolarHBondContact CE-OE1 3.28Å; K516-E551 WeakPolarHBondContact CG-OE1 3.3Å
517	W	98.4	Very high	97.4	Very high	34 Å²	34	39.6 Å²	39.6	13%	0.129	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	123.5	-175.9	-171.2	-99.7	0	0	0	110.6	V243 D244 N283 C284 V475 I476 F514 D515 F519	V243-W517 HydrophobicContact CG1-CD2 3.75Å; V243-W517 HydrophobicContact CG1-CE3 3.66Å; V243-W517 HydrophobicContact CG1-CH2 3.72Å; V243-W517 HydrophobicContact CG1-CZ2 3.8Å; V243-W517 HydrophobicContact CG1-CZ3 3.64Å; D244-W517 WeakPolarHBondContact O-CH2 3.34Å; N283-W517 WeakPolarHBondContact O-CZ2 3.42Å; N283-W517 PolarHBondContact O-NE1 2.88Å; C284-W517 WeakPolarHBondContact O-CZ2 3.37Å; V475-W517 WeakPolarHBondContact CA-O 3.25Å; I476-W517 PolarHBondContact N-O 2.79Å; I476-W517 PolarHBondContact O-N 3.22Å; F514-W517 HydrophobicContact CB-CB 3.85Å; F514-W517 HydrophobicContact CD1-CB 3.77Å; F514-W517 AromaticContact CD1-CD1 3.9Å; F514-W517 HydrophobicContact CD1-CD2 4.3Å; F514-W517 AromaticContact CD1-CG 3.68Å; F514-W517 HydrophobicContact CD1-CG 3.68Å; F514-W517 HydrophobicContact CE1-CG 4.32Å; F514-W517 HydrophobicContact CG-CB 4.23Å; D515-W517 PolarHBondContact O-N 2.92Å; W517-F519 HydrophobicContact CB-CE2 4.23Å; W517-F519 AromaticContact CD1-CD1 3.73Å; W517-F519 AromaticContact CD1-CD2 3.72Å; W517-F519 AromaticContact CD1-CE1 3.55Å; W517-F519 AromaticContact CD1-CE2 3.57Å; W517-F519 AromaticContact CD1-CG 3.8Å; W517-F519 AromaticContact CD1-CZ 3.48Å; W517-F519 VanDerWaalsContact CD1-CZ 3.48Å; W517-F519 HydrophobicContact CG-CE2 4.27Å; W517-F519 HydrophobicContact CG-CZ 4.33Å; W517-F519 AromaticContact NE1-CE1 3.89Å; W517-F519 PolarHBondContact O-N 3.01Å
518	P	97.9	Very high	97.4	Very high	43 Å²	43	40.5 Å²	40.5	28%	0.279	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	72.2	-172.9	37	-36.2	0	0	0	112	V475 K516 M520	V475-P518 HydrophobicContact CG2-CB 4.18Å; K516-P518 WeakPolarHBondContact O-CD 3.46Å; P518-M520 PolarHBondContact O-N 3.1Å
519	F	98.6	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	128.6	175.2	-67.1	-80.9	0	0	0	110.8	N283 Q473 A474 I476 I488 L500 L501 F514 W517	N283-F519 HydrophobicContact CB-CD1 4.03Å; Q473-F519 CarbonylContact C-O 3.53Å; Q473-F519 WeakPolarHBondContact CA-O 3.3Å; A474-F519 PolarHBondContact N-O 2.77Å; A474-F519 PolarHBondContact O-N 3.32Å; A474-F519 VanDerWaalsContact O-N 3.13Å; I476-F519 HydrophobicContact CB-CD2 4.16Å; I476-F519 HydrophobicContact CB-CE2 4.14Å; I476-F519 HydrophobicContact CD1-CD2 3.94Å; I476-F519 HydrophobicContact CD1-CE2 4.31Å; I476-F519 HydrophobicContact CG1-CD2 4.34Å; I488-F519 HydrophobicContact CD1-CD2 4.46Å; I488-F519 HydrophobicContact CD1-CE2 3.81Å; I488-F519 HydrophobicContact CD1-CZ 3.94Å; L500-F519 HydrophobicContact CB-CB 4.07Å; L500-F519 HydrophobicContact CB-CD1 4.43Å; L500-F519 HydrophobicContact CB-CG 4.37Å; L500-F519 HydrophobicContact CD1-CB 4.09Å; L500-F519 HydrophobicContact CG-CB 4.47Å; L500-F519 WeakPolarHBondContact O-CD1 3.43Å; L501-F519 HydrophobicContact CB-CD1 4.43Å; L501-F519 HydrophobicContact CB-CE1 3.87Å; L501-F519 HydrophobicContact CB-CZ 4.38Å; L501-F519 HydrophobicContact CD1-CE1 4.21Å; L501-F519 HydrophobicContact CD2-CE1 4.26Å; L501-F519 HydrophobicContact CD2-CZ 4.14Å; L501-F519 HydrophobicContact CG-CE1 4.33Å; F514-F519 HydrophobicContact CD1-CE2 4.22Å; F514-F519 AromaticContact CD1-CZ 3.67Å; F514-F519 HydrophobicContact CD1-CZ 3.67Å; F514-F519 HydrophobicContact CD2-CE2 4.45Å; F514-F519 HydrophobicContact CD2-CZ 4Å; F514-F519 HydrophobicContact CE1-CE1 4.11Å; F514-F519 AromaticContact CE1-CZ 3.56Å; F514-F519 HydrophobicContact CE1-CZ 3.56Å; F514-F519 AromaticContact CE2-CZ 3.91Å; F514-F519 HydrophobicContact CE2-CZ 3.91Å; F514-F519 HydrophobicContact CG-CE2 4.18Å; F514-F519 AromaticContact CG-CZ 3.89Å; F514-F519 HydrophobicContact CG-CZ 3.89Å; F514-F519 HydrophobicContact CZ-CE1 4.25Å; F514-F519 AromaticContact CZ-CZ 3.7Å; F514-F519 HydrophobicContact CZ-CZ 3.7Å; W517-F519 HydrophobicContact CB-CE2 4.23Å; W517-F519 AromaticContact CD1-CD1 3.73Å; W517-F519 AromaticContact CD1-CD2 3.72Å; W517-F519 AromaticContact CD1-CE1 3.55Å; W517-F519 AromaticContact CD1-CE2 3.57Å; W517-F519 AromaticContact CD1-CG 3.8Å; W517-F519 AromaticContact CD1-CZ 3.48Å; W517-F519 VanDerWaalsContact CD1-CZ 3.48Å; W517-F519 HydrophobicContact CG-CE2 4.27Å; W517-F519 HydrophobicContact CG-CZ 4.33Å; W517-F519 AromaticContact NE1-CE1 3.89Å; W517-F519 PolarHBondContact O-N 3.01Å
520	M	98.4	Very high	97.4	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145	-171.1	-169.4	-86.8	-80.1	0	0	112	N283 S289 S313 V472 Q473 P518 T522	N283-M520 PolarHBondContact ND2-O 3.14Å; N283-M520 PolarHBondContact OD1-O 2.88Å; S289-M520 WeakPolarHBondContact O-CB 3.48Å; S289-M520 WeakPolarHBondContact O-CE 3.33Å; S313-M520 CarbonylContact C-O 3.02Å; S313-M520 PolarHBondContact OG-O 2.73Å; V472-M520 CarbonylContact O-C 3.45Å; V472-M520 WeakPolarHBondContact O-CA 3.03Å; Q473-M520 HydrophobicContact CG-CB 4.16Å; Q473-M520 HydrophobicContact CG-CG 4.01Å; P518-M520 PolarHBondContact O-N 3.1Å; M520-T522 HydrophobicContact CE-CG2 4.03Å; M520-T522 HydrophobicContact SD-CG2 3.67Å
521	T	98.8	Very high	97.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.4	167.3	-176.5	0	0	0	0	111.9	S313 V472 M490 S498 L500 H523	S313-T521 CarbonylContact O-C 3.48Å; S313-T521 VanDerWaalsContact O-CA 3.3Å; S313-T521 WeakPolarHBondContact O-CA 3.4Å; V472-T521 HydrophobicContact CB-CG2 3.92Å; V472-T521 PolarHBondContact N-O 3.02Å; V472-T521 VanDerWaalsContact N-O 3.09Å; V472-T521 PolarHBondContact O-N 3.12Å; M490-T521 HydrophobicContact CE-CG2 3.42Å; M490-T521 VanDerWaalsContact CE-CG2 3.42Å; S498-T521 WeakPolarHBondContact CB-OG1 3.24Å; S498-T521 PolarHBondContact OG-OG1 3.3Å; L500-T521 HydrophobicContact CD2-CG2 4.33Å; T521-H523 PolarHBondContact OG1-N 2.67Å; T521-H523 VanDerWaalsContact OG1-N 3.14Å
522	T	98.8	Very high	97.7	Very high	2 Å²	2	29 Å²	29	1%	0.012	16%	0.157	C	C	.	.			trans	-98.2	-13.5	169.4	63.4	0	0	0	0	111.8	S313 S314 T315 L316 Y409 M520 T524 W525	S313-T522 PolarHBondContact O-N 3.01Å; S313-T522 PolarHBondContact O-OG1 3.43Å; S314-T522 WeakPolarHBondContact O-CG2 3.2Å; T315-T522 PolarHBondContact O-OG1 2.75Å; L316-T522 HydrophobicContact CD1-CG2 3.77Å; Y409-T522 PolarHBondContact OH-O 2.66Å; M520-T522 HydrophobicContact CE-CG2 4.03Å; M520-T522 HydrophobicContact SD-CG2 3.67Å; T522-T524 PolarHBondContact O-N 2.98Å; T522-W525 WeakPolarHBondContact O-CB 3.3Å; T522-W525 PolarHBondContact O-N 3.43Å
523	H	98.7	Very high	98	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.3	-168.4	-60.1	158.7	0	0	0	115.2	S313 N397 F403 H405 Y409 T496 S498 T521 W525	S313-H523 VanDerWaalsContact CA-CE1 3.5Å; S313-H523 WeakPolarHBondContact CA-CE1 3.35Å; N397-H523 WeakPolarHBondContact CB-O 3.43Å; N397-H523 PolarHBondContact ND2-O 2.85Å; F403-H523 HydrophobicContact CD1-CB 4.17Å; F403-H523 HydrophobicContact CD2-CB 3.76Å; F403-H523 AromaticContact CD2-CD2 3.29Å; F403-H523 WeakPolarHBondContact CD2-CD2 3.45Å; F403-H523 AromaticContact CD2-CE1 3.7Å; F403-H523 AromaticContact CD2-CG 3.28Å; F403-H523 AromaticContact CD2-ND1 3.57Å; F403-H523 AromaticContact CD2-NE2 3.55Å; F403-H523 HydrophobicContact CE1-CB 4.11Å; F403-H523 HydrophobicContact CE2-CB 3.7Å; F403-H523 AromaticContact CE2-CD2 3.9Å; F403-H523 AromaticContact CE2-CE1 3.78Å; F403-H523 AromaticContact CE2-CG 3.39Å; F403-H523 AromaticContact CE2-ND1 3.34Å; F403-H523 VanDerWaalsContact CE2-ND1 3.34Å; F403-H523 WeakPolarHBondContact CE2-ND1 3.22Å; F403-H523 HydrophobicContact CG-CB 4Å; F403-H523 AromaticContact CG-CD2 3.81Å; F403-H523 AromaticContact CG-CG 3.91Å; F403-H523 HydrophobicContact CZ-CB 3.86Å; H405-H523 AromaticContact CD2-CE1 3.57Å; H405-H523 AromaticContact CE1-CE1 3.43Å; H405-H523 PolarHBondContact CE1-CE1 3.29Å; H405-H523 VanDerWaalsContact CE1-CE1 3.43Å; H405-H523 AromaticContact CE1-ND1 3.81Å; H405-H523 AromaticContact CG-CE1 3.82Å; H405-H523 AromaticContact ND1-CE1 3.77Å; H405-H523 AromaticContact NE2-CE1 3.31Å; H405-H523 PolarHBondContact NE2-CE1 3.48Å; H405-H523 VanDerWaalsContact NE2-CE1 3.31Å; H405-H523 AromaticContact NE2-ND1 3.8Å; Y409-H523 PolarHBondContact OH-O 2.93Å; T496-H523 HydrophobicContact CG2-CB 4.23Å; S498-H523 PolarHBondContact OG-ND1 2.79Å; T521-H523 PolarHBondContact OG1-N 2.67Å; T521-H523 VanDerWaalsContact OG1-N 3.14Å; H523-W525 VanDerWaalsContact C-N 3.26Å; H523-W525 PolarHBondContact O-N 3.11Å
524	T	98.6	Very high	98.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	14.3	178.1	57.5	0	0	0	0	112.3	L469 V472 T496 T522 G526 E527 W533	L469-T524 WeakPolarHBondContact CB-O 3.47Å; V472-T524 WeakPolarHBondContact CG2-OG1 3.43Å; T496-T524 HydrophobicContact CG2-CG2 3.97Å; T522-T524 PolarHBondContact O-N 2.98Å; T524-G526 PolarHBondContact O-N 2.88Å; T524-E527 VanDerWaalsContact O-CB 3.32Å; T524-E527 WeakPolarHBondContact O-CB 3.43Å; T524-E527 WeakPolarHBondContact O-CG 3.35Å; T524-E527 PolarHBondContact O-N 3.47Å; T524-W533 HydrophobicContact CG2-CH2 4.25Å; T524-W533 HydrophobicContact CG2-CZ3 4.44Å
525	W	98.8	Very high	98.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	128.6	-179.5	-156	-69.9	0	0	0	111.6	L316 Q375 H376 V379 N397 V399 Y409 E470 H471 T522 H523 E527 Y564	L316-W525 HydrophobicContact CD1-CE3 4.13Å; L316-W525 HydrophobicContact CD1-CZ3 3.96Å; Q375-W525 HydrophobicContact CB-CH2 3.65Å; Q375-W525 HydrophobicContact CB-CZ2 4.21Å; H376-W525 AromaticContact CD2-CZ2 3.83Å; H376-W525 AromaticContact CE1-CE2 3.87Å; H376-W525 AromaticContact CE1-CZ2 3.82Å; H376-W525 AromaticContact CE1-NE1 3.33Å; H376-W525 PolarHBondContact CE1-NE1 3.3Å; H376-W525 VanDerWaalsContact CE1-NE1 3.33Å; H376-W525 AromaticContact CG-CZ2 3.9Å; H376-W525 AromaticContact ND1-CE2 3.87Å; H376-W525 AromaticContact ND1-CZ2 3.9Å; H376-W525 AromaticContact ND1-NE1 3.23Å; H376-W525 PolarHBondContact ND1-NE1 3.42Å; H376-W525 AromaticContact NE2-CZ2 3.78Å; V379-W525 HydrophobicContact CG1-CB 4.49Å; V379-W525 HydrophobicContact CG1-CG 4.23Å; V379-W525 HydrophobicContact CG2-CD2 3.85Å; V379-W525 HydrophobicContact CG2-CE3 4.04Å; V379-W525 HydrophobicContact CG2-CG 4.2Å; V379-W525 HydrophobicContact CG2-CZ3 4.48Å; N397-W525 PolarHBondContact ND2-O 3.33Å; V399-W525 WeakPolarHBondContact CG2-O 3Å; Y409-W525 HydrophobicContact CE2-CB 4.49Å; Y409-W525 WeakPolarHBondContact OH-CB 3.4Å; E470-W525 HydrophobicContact CB-CD2 4.46Å; E470-W525 HydrophobicContact CB-CE3 4.45Å; E470-W525 HydrophobicContact CB-CH2 3.93Å; E470-W525 HydrophobicContact CB-CZ2 3.96Å; E470-W525 HydrophobicContact CB-CZ3 4.19Å; E470-W525 HydrophobicContact CG-CH2 4.28Å; E470-W525 HydrophobicContact CG-CZ2 3.84Å; H471-W525 AromaticContact CE1-CH2 3.86Å; H471-W525 AromaticContact CE1-CZ3 3.93Å; H471-W525 AromaticContact NE2-CZ3 3.77Å; T522-W525 WeakPolarHBondContact O-CB 3.3Å; T522-W525 PolarHBondContact O-N 3.43Å; H523-W525 VanDerWaalsContact C-N 3.26Å; H523-W525 PolarHBondContact O-N 3.11Å; W525-E527 VanDerWaalsContact C-N 3.31Å; W525-E527 PolarHBondContact O-N 2.85Å; W525-Y564 PolarHBondContact NE1-OH 3.31Å
526	G	97.6	Very high	98.2	Very high	5 Å²	5	21.4 Å²	21.4	5%	0.052	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-12	-179.5	0	0	0	0	0	115.4	V399 L469 T524	V399-G526 WeakPolarHBondContact CG1-O 3.13Å; L469-G526 PolarHBondContact O-N 2.75Å; T524-G526 PolarHBondContact O-N 2.88Å
527	E	98.3	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.086	C	C	.	.			trans	-69.2	153.3	-179.6	-66.6	-177.8	-166.8	0	0	113	N397 G398 V399 L469 S492 M494 T496 T524 W525 A529	N397-E527 VanDerWaalsContact CB-OE1 3.27Å; N397-E527 WeakPolarHBondContact CB-OE1 3.28Å; G398-E527 PolarHBondContact N-OE1 2.99Å; V399-E527 HydrophobicContact CG1-CG 4.18Å; L469-E527 WeakPolarHBondContact CB-O 3.2Å; L469-E527 HydrophobicContact CD1-CB 4.19Å; L469-E527 WeakPolarHBondContact CG-O 3.49Å; L469-E527 PolarHBondContact N-O 3.27Å; S492-E527 WeakPolarHBondContact CB-OE2 3.47Å; S492-E527 PolarHBondContact OG-OE2 2.99Å; M494-E527 HydrophobicContact CB-CG 4.47Å; M494-E527 HydrophobicContact CG-CB 4.38Å; M494-E527 HydrophobicContact CG-CG 4.47Å; M494-E527 HydrophobicContact SD-CB 3.48Å; M494-E527 WeakPolarHBondContact SD-CB 3.4Å; M494-E527 HydrophobicContact SD-CG 3.57Å; M494-E527 VanDerWaalsContact SD-CG 3.57Å; T496-E527 WeakPolarHBondContact CB-OE1 3.49Å; T496-E527 PolarHBondContact OG1-OE1 2.78Å; T524-E527 VanDerWaalsContact O-CB 3.32Å; T524-E527 WeakPolarHBondContact O-CB 3.43Å; T524-E527 WeakPolarHBondContact O-CG 3.35Å; T524-E527 PolarHBondContact O-N 3.47Å; W525-E527 VanDerWaalsContact C-N 3.31Å; W525-E527 PolarHBondContact O-N 2.85Å; E527-A529 PolarHBondContact O-N 2.7Å
528	D	97.2	Very high	98.2	Very high	22 Å²	22	13.6 Å²	13.6	12%	0.118	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-67.3	124.9	166.1	-168	-27	0	0	0	110	R467 R530	R467-D528 VanDerWaalsContact O-CA 3.31Å; R467-D528 WeakPolarHBondContact O-CA 3.47Å; D528-R530 VanDerWaalsContact C-N 3.3Å; D528-R530 PolarHBondContact O-N 3.28Å; D528-R530 WeakPolarHBondContact OD1-CB 3.18Å; D528-R530 WeakPolarHBondContact OD1-CG 3.34Å; D528-R530 PolarHBondContact OD1-N 3.07Å; D528-R530 IonicContact OD1-NE 3.85Å; D528-R530 PolarHBondContact OD1-NE 3.48Å; D528-R530 IonicContact OD2-CZ 2.7Å; D528-R530 IonicContact OD2-NE 3.16Å; D528-R530 PolarHBondContact OD2-NE 3.21Å; D528-R530 VanDerWaalsContact OD2-NE 3.13Å; D528-R530 IonicContact OD2-NH2 3.33Å; D528-R530 PolarHBondContact OD2-NH2 3.25Å
529	A	96.8	Very high	98.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.			trans	-74	-18.4	-177.9	0	0	0	0	0	114.3	A458 V466 R467 L469 E527 W533 L556	A458-A529 HydrophobicContact CB-CB 3.67Å; V466-A529 WeakPolarHBondContact O-CB 3.35Å; R467-A529 PolarHBondContact O-N 3.23Å; L469-A529 HydrophobicContact CD1-CB 4.18Å; L469-A529 HydrophobicContact CD2-CB 3.58Å; L469-A529 HydrophobicContact CG-CB 3.8Å; E527-A529 PolarHBondContact O-N 2.7Å; A529-W533 PolarHBondContact O-NE1 3.22Å; A529-L556 HydrophobicContact CB-CD1 4.05Å; A529-L556 HydrophobicContact CB-CD2 4.47Å
530	R	97.8	Very high	98	Very high	56 Å²	56	16.4 Å²	16.4	21%	0.211	10%	0.095	C	C	.	.			trans	-73.9	146	-174.6	-64.1	177	-66.3	-176.6	2	111.9	A458 E460 F465 P493 D528 E590	A458-R530 HydrophobicContact CB-CG 3.98Å; E460-R530 IonicContact OE1-CZ 3.7Å; E460-R530 IonicContact OE1-NH1 2.74Å; E460-R530 PolarHBondContact OE1-NH1 3.3Å; F465-R530 HydrophobicContact CE2-CG 4.45Å; P493-R530 WeakPolarHBondContact CB-O 3.38Å; P493-R530 VanDerWaalsContact CG-O 3.27Å; P493-R530 WeakPolarHBondContact CG-O 3.37Å; D528-R530 VanDerWaalsContact C-N 3.3Å; D528-R530 PolarHBondContact O-N 3.28Å; D528-R530 WeakPolarHBondContact OD1-CB 3.18Å; D528-R530 WeakPolarHBondContact OD1-CG 3.34Å; D528-R530 PolarHBondContact OD1-N 3.07Å; D528-R530 IonicContact OD1-NE 3.85Å; D528-R530 PolarHBondContact OD1-NE 3.48Å; D528-R530 IonicContact OD2-CZ 2.7Å; D528-R530 IonicContact OD2-NE 3.16Å; D528-R530 PolarHBondContact OD2-NE 3.21Å; D528-R530 VanDerWaalsContact OD2-NE 3.13Å; D528-R530 IonicContact OD2-NH2 3.33Å; D528-R530 PolarHBondContact OD2-NH2 3.25Å; R530-E590 IonicContact CZ-OE1 3.18Å; R530-E590 IonicContact NH1-OE1 2.74Å; R530-E590 PolarHBondContact NH1-OE1 2.77Å; R530-E590 IonicContact NH2-OE1 3.37Å; R530-E590 PolarHBondContact NH2-OE1 3.05Å
531	G	98	Very high	97.5	Very high	26 Å²	26	18.2 Å²	18.2	27%	0.268	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	112.7	-153.2	176.6	0	0	0	0	0	112.9	T455 T456	T455-G531 WeakPolarHBondContact CA-O 3.37Å; T456-G531 PolarHBondContact N-O 3.38Å; T456-G531 PolarHBondContact O-N 2.61Å
532	T	98.6	Very high	96.8	Very high	62 Å²	62	24.2 Å²	24.2	38%	0.38	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.6	-168.9	-59.6	0	0	0	0	111.9	T453 L454 T455 P493	T453-T532 HydrophobicContact CG2-CG2 4.18Å; L454-T532 WeakPolarHBondContact O-CA 3.16Å; T455-T532 PolarHBondContact OG1-OG1 2.91Å; P493-T532 WeakPolarHBondContact CA-O 3.49Å
533	W	98.7	Very high	96.4	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	141.6	169.5	-70	79.5	0	0	0	110.5	T453 L454 L469 V472 M490 P493 T524 A529 L554 L556	T453-W533 CarbonylContact C-O 3.58Å; T453-W533 VanDerWaalsContact CA-O 3.26Å; T453-W533 WeakPolarHBondContact CA-O 3.44Å; L454-W533 PolarHBondContact N-O 2.92Å; L454-W533 PolarHBondContact O-N 2.69Å; L469-W533 HydrophobicContact CD1-CH2 3.8Å; L469-W533 HydrophobicContact CD1-CZ2 3.74Å; V472-W533 HydrophobicContact CG1-CH2 4.08Å; V472-W533 HydrophobicContact CG1-CZ3 4.02Å; V472-W533 HydrophobicContact CG2-CH2 3.89Å; M490-W533 HydrophobicContact CE-CE3 4.46Å; M490-W533 HydrophobicContact CE-CZ3 4.04Å; M490-W533 HydrophobicContact CG-CE3 3.92Å; M490-W533 HydrophobicContact CG-CZ3 4.23Å; M490-W533 HydrophobicContact SD-CE3 3.89Å; M490-W533 HydrophobicContact SD-CZ3 4.09Å; P493-W533 HydrophobicContact CG-CD2 4.42Å; P493-W533 HydrophobicContact CG-CG 4.34Å; P493-W533 HydrophobicContact CG-CZ2 4.44Å; T524-W533 HydrophobicContact CG2-CH2 4.25Å; T524-W533 HydrophobicContact CG2-CZ3 4.44Å; A529-W533 PolarHBondContact O-NE1 3.22Å; W533-L554 HydrophobicContact CB-CD2 3.95Å; W533-L554 HydrophobicContact CD2-CD1 4.15Å; W533-L554 HydrophobicContact CD2-CD2 3.82Å; W533-L554 HydrophobicContact CE3-CD1 4.16Å; W533-L554 HydrophobicContact CG-CD2 3.46Å; W533-L554 VanDerWaalsContact CG-CD2 3.46Å; W533-L556 HydrophobicContact CH2-CD2 4.42Å; W533-L556 HydrophobicContact CZ2-CD2 3.78Å
534	T	98.6	Very high	96.1	Very high	33 Å²	33	32 Å²	32	20%	0.202	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.5	178	-55.3	0	0	0	0	110.7	V451 L452 T453 M490 T491 E536	V451-T534 HydrophobicContact CG1-CG2 3.54Å; L452-T534 CarbonylContact O-C 3.54Å; L452-T534 WeakPolarHBondContact O-CA 3.33Å; T453-T534 HydrophobicContact CG2-CG2 4.33Å; M490-T534 CarbonylContact C-O 3.57Å; M490-T534 VanDerWaalsContact CA-O 3.3Å; M490-T534 WeakPolarHBondContact CA-O 3.43Å; T491-T534 PolarHBondContact N-O 3.19Å; T491-T534 PolarHBondContact O-N 2.91Å; T534-E536 HydrophobicContact CG2-CG 4.4Å
535	L	98.6	Very high	96	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.3	170.5	-171.5	72.2	0	0	0	109.7	V451 L452 I476 I488 M490 L500 L537 W552	V451-L535 WeakPolarHBondContact CA-O 3.25Å; L452-L535 PolarHBondContact N-O 3.39Å; L452-L535 PolarHBondContact O-N 2.85Å; I476-L535 HydrophobicContact CD1-CD1 4.13Å; I476-L535 HydrophobicContact CD1-CD2 3.92Å; I476-L535 HydrophobicContact CG1-CD2 4.47Å; I488-L535 HydrophobicContact CG2-CD1 3.73Å; M490-L535 HydrophobicContact CB-CD1 4.39Å; L500-L535 HydrophobicContact CD1-CD1 4.31Å; L535-L537 HydrophobicContact CD2-CD1 3.62Å; L535-L537 HydrophobicContact CG-CD1 3.73Å; L535-W552 HydrophobicContact CB-CD2 4.07Å; L535-W552 HydrophobicContact CB-CE3 3.9Å; L535-W552 HydrophobicContact CB-CH2 3.52Å; L535-W552 HydrophobicContact CB-CZ2 3.68Å; L535-W552 HydrophobicContact CB-CZ3 3.64Å; L535-W552 HydrophobicContact CD2-CB 4.07Å; L535-W552 HydrophobicContact CD2-CD2 3.43Å; L535-W552 VanDerWaalsContact CD2-CD2 3.43Å; L535-W552 HydrophobicContact CD2-CE3 3.75Å; L535-W552 HydrophobicContact CD2-CG 3.56Å; L535-W552 HydrophobicContact CD2-CZ2 4.45Å; L535-W552 HydrophobicContact CD2-CZ3 4.37Å; L535-W552 HydrophobicContact CG-CD2 4.33Å; L535-W552 HydrophobicContact CG-CE3 4.48Å
536	E	98.6	Very high	95.9	Very high	28 Å²	28	40.3 Å²	40.3	13%	0.131	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.5	176.1	-64.8	177.9	80.1	0	0	109.9	K449 L450 V451 I488 N489 K497 T534	K449-E536 HydrophobicContact CD-CB 4.15Å; K449-E536 WeakPolarHBondContact CD-OE1 3.32Å; K449-E536 IonicContact NZ-OE1 2.84Å; K449-E536 PolarHBondContact NZ-OE1 3.36Å; L450-E536 WeakPolarHBondContact O-CA 3.09Å; V451-E536 HydrophobicContact CG2-CG 4.35Å; I488-E536 WeakPolarHBondContact CA-O 3.42Å; N489-E536 HydrophobicContact CB-CB 4.35Å; N489-E536 PolarHBondContact N-O 2.9Å; N489-E536 PolarHBondContact O-N 3.35Å; K497-E536 WeakPolarHBondContact CE-OE2 3.46Å; K497-E536 IonicContact NZ-OE1 3.85Å; K497-E536 IonicContact NZ-OE2 3.11Å; K497-E536 PolarHBondContact NZ-OE2 3.21Å; T534-E536 HydrophobicContact CG2-CG 4.4Å
537	L	98.4	Very high	95.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137	171.8	-58.4	91.7	0	0	0	110.1	I444 K449 L450 V478 N487 I488 L535 L549	I444-L537 HydrophobicContact CD1-CB 4.27Å; I444-L537 HydrophobicContact CD1-CD2 4.22Å; I444-L537 HydrophobicContact CG1-CB 4.48Å; I444-L537 HydrophobicContact CG2-CB 4.48Å; K449-L537 CarbonylContact C-O 3.58Å; K449-L537 VanDerWaalsContact CA-O 3.3Å; K449-L537 WeakPolarHBondContact CA-O 3.24Å; L450-L537 HydrophobicContact CB-CB 4.48Å; L450-L537 HydrophobicContact CD2-CD1 4.37Å; L450-L537 PolarHBondContact N-O 3.23Å; L450-L537 PolarHBondContact O-N 2.82Å; V478-L537 HydrophobicContact CG2-CD2 4.36Å; N487-L537 WeakPolarHBondContact O-CA 3.14Å; I488-L537 HydrophobicContact CD1-CD2 4.47Å; I488-L537 HydrophobicContact CG1-CD2 4.34Å; I488-L537 HydrophobicContact CG1-CG 4.41Å; L535-L537 HydrophobicContact CD2-CD1 3.62Å; L535-L537 HydrophobicContact CG-CD1 3.73Å; L537-L549 HydrophobicContact CD1-CD2 4.14Å; L537-L549 HydrophobicContact CD2-CD1 4Å
538	G	97.7	Very high	95.8	Very high	3 Å²	3	42.4 Å²	42.4	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	-177.5	174.3	0	0	0	0	0	112	N487	N487-G538 PolarHBondContact N-O 2.78Å; N487-G538 PolarHBondContact O-N 3.26Å
539	F	97.4	Very high	95.8	Very high	34 Å²	34	41.4 Å²	41.4	15%	0.149	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.8	175.9	-62.7	-70	0	0	0	111	I444 A480 D485 L486 Q545 K546	I444-F539 HydrophobicContact CB-CE2 3.86Å; I444-F539 HydrophobicContact CB-CZ 4.23Å; I444-F539 HydrophobicContact CD1-CZ 4.27Å; I444-F539 HydrophobicContact CG2-CD2 4.05Å; I444-F539 HydrophobicContact CG2-CE2 3.62Å; I444-F539 HydrophobicContact CG2-CZ 4.18Å; A480-F539 HydrophobicContact CB-CE1 3.88Å; A480-F539 HydrophobicContact CB-CZ 4.31Å; D485-F539 HydrophobicContact CB-CD1 4.35Å; D485-F539 CarbonylContact O-C 3.53Å; D485-F539 VanDerWaalsContact O-CA 3.22Å; D485-F539 WeakPolarHBondContact O-CA 3.17Å; L486-F539 HydrophobicContact CD2-CD1 3.91Å; L486-F539 HydrophobicContact CD2-CE1 3.32Å; L486-F539 HydrophobicContact CD2-CZ 3.94Å; L486-F539 HydrophobicContact CG-CD1 4.36Å; L486-F539 HydrophobicContact CG-CE1 3.91Å; F539-Q545 HydrophobicContact CB-CB 4.2Å; F539-Q545 HydrophobicContact CB-CG 4.49Å; F539-Q545 HydrophobicContact CD1-CB 3.49Å; F539-Q545 VanDerWaalsContact CD1-CB 3.49Å; F539-Q545 HydrophobicContact CD1-CG 4.05Å; F539-Q545 HydrophobicContact CD2-CB 3.88Å; F539-Q545 HydrophobicContact CE1-CB 3.69Å; F539-Q545 HydrophobicContact CE2-CB 4.07Å; F539-Q545 HydrophobicContact CG-CB 3.59Å; F539-Q545 HydrophobicContact CG-CG 4.29Å; F539-Q545 HydrophobicContact CZ-CB 3.99Å; F539-K546 VanDerWaalsContact CZ-C 3.47Å
540	V	93.8	Very high	95.9	Very high	69 Å²	69	46 Å²	46	42%	0.418	28%	0.275	S	S	.	.			trans	-118.9	106.2	174.7	-174.7	0	0	0	0	107.7	D485 N487 R503	D485-V540 PolarHBondContact O-N 3.4Å; N487-V540 HydrophobicContact CB-CG2 3.64Å; R503-V540 HydrophobicContact CB-CB 4.32Å; R503-V540 HydrophobicContact CB-CG1 4.44Å; R503-V540 WeakPolarHBondContact CD-O 3.47Å; R503-V540 HydrophobicContact CG-CB 4.49Å; R503-V540 WeakPolarHBondContact CG-O 3.32Å; R503-V540 PolarHBondContact NE-O 3.32Å
541	G	87.5	Confident	95.9	Very high	40 Å²	40	44.9 Å²	44.9	41%	0.412	27%	0.273	S	S	.	.	S	Bend	trans	179.6	171.8	-176.4	0	0	0	0	0	111.8
542	S	84.8	Confident	95.8	Very high	126 Å²	126	43.7 Å²	43.7	88%	0.881	26%	0.26	S	S	*	.	S	Bend	trans	-81.6	-22	178.3	51.2	0	0	0	0	113.2
543	A	90.2	Very high	95.8	Very high	50 Å²	50	41.8 Å²	41.8	41%	0.413	25%	0.248	S	C	.	.	S	Bend	trans	-107.8	139.5	-178.6	0	0	0	0	0	110.9	Q545	A543-Q545 PolarHBondContact O-N 3.41Å
544	P	93.1	Very high	95.8	Very high	115 Å²	115	41.7 Å²	41.7	75%	0.747	25%	0.248	S	C	*	.			trans	-61.2	128.6	172.3	-21.9	32.8	0	0	0	111.3
545	Q	96.3	Very high	95.8	Very high	21 Å²	21	42.5 Å²	42.5	10%	0.098	25%	0.25	C	S	.	.			trans	-110.6	165.4	175.7	-57.3	-59.1	-18.9	0	0	111.2	S446 T481 R482 D485 F539 A543	S446-Q545 WeakPolarHBondContact CB-O 3.15Å; T481-Q545 PolarHBondContact OG1-OE1 3.32Å; R482-Q545 HydrophobicContact CB-CG 4.28Å; D485-Q545 HydrophobicContact CB-CG 3.85Å; D485-Q545 WeakPolarHBondContact OD2-CG 3.23Å; D485-Q545 PolarHBondContact OD2-NE2 3.01Å; F539-Q545 HydrophobicContact CB-CB 4.2Å; F539-Q545 HydrophobicContact CB-CG 4.49Å; F539-Q545 HydrophobicContact CD1-CB 3.49Å; F539-Q545 VanDerWaalsContact CD1-CB 3.49Å; F539-Q545 HydrophobicContact CD1-CG 4.05Å; F539-Q545 HydrophobicContact CD2-CB 3.88Å; F539-Q545 HydrophobicContact CE1-CB 3.69Å; F539-Q545 HydrophobicContact CE2-CB 4.07Å; F539-Q545 HydrophobicContact CG-CB 3.59Å; F539-Q545 HydrophobicContact CG-CG 4.29Å; F539-Q545 HydrophobicContact CZ-CB 3.99Å; A543-Q545 PolarHBondContact O-N 3.41Å
546	K	95.4	Very high	95.8	Very high	156 Å²	156	42.5 Å²	42.5	68%	0.678	25%	0.25	S	S	*	.			trans	-130	146.9	173.8	-60.4	177.5	-175.9	175	0	108.9	A480 T481 F539	A480-K546 CarbonylContact C-O 3.52Å; A480-K546 WeakPolarHBondContact CA-O 3.43Å; T481-K546 HydrophobicContact CG2-CB 4Å; T481-K546 PolarHBondContact N-O 3.11Å; T481-K546 PolarHBondContact OG1-N 3.32Å; T481-K546 PolarHBondContact OG1-O 2.93Å; F539-K546 VanDerWaalsContact CZ-C 3.47Å
547	G	96.6	Very high	95.8	Very high	9 Å²	9	41.6 Å²	41.6	9%	0.093	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	164.5	175.6	0	0	0	0	0	111.8	I444 N479	I444-G547 PolarHBondContact N-O 2.72Å; N479-G547 CarbonylContact O-C 3.53Å; N479-G547 WeakPolarHBondContact O-CA 3.29Å
548	V	97.9	Very high	95.8	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.236	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	119.5	178.6	-176.7	0	0	0	0	107.8	P441 E442 K443 V478 N479	P441-V548 HydrophobicContact CB-CG1 3.81Å; E442-V548 CarbonylContact O-C 3.48Å; E442-V548 WeakPolarHBondContact O-CA 3.48Å; K443-V548 HydrophobicContact CG-CG2 4.4Å; V478-V548 WeakPolarHBondContact CA-O 3.4Å; N479-V548 PolarHBondContact N-O 3.25Å; N479-V548 PolarHBondContact O-N 3.04Å; N479-V548 WeakPolarHBondContact OD1-CB 3.48Å; N479-V548 PolarHBondContact OD1-N 3.12Å; N479-V548 PolarHBondContact OD1-O 2.83Å
549	L	98.2	Very high	95.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	123.2	163.6	178.3	71.6	0	0	0	107	P441 E442 L450 L452 I476 V478 L537 E551 W552	P441-L549 CarbonylContact C-O 3.58Å; P441-L549 VanDerWaalsContact CA-O 3.26Å; P441-L549 WeakPolarHBondContact CA-O 3.36Å; E442-L549 PolarHBondContact N-O 2.99Å; E442-L549 PolarHBondContact O-N 3.33Å; L450-L549 HydrophobicContact CD2-CB 4.29Å; L450-L549 HydrophobicContact CD2-CD2 4.45Å; L452-L549 HydrophobicContact CD1-CD2 3.2Å; I476-L549 HydrophobicContact CG2-CD1 3.65Å; V478-L549 HydrophobicContact CB-CD1 4.13Å; L537-L549 HydrophobicContact CD1-CD2 4.14Å; L537-L549 HydrophobicContact CD2-CD1 4Å; L549-E551 WeakPolarHBondContact CD1-O 3.44Å; L549-W552 HydrophobicContact CD2-CB 4.28Å
550	K	97.7	Very high	95.8	Very high	97 Å²	97	42.6 Å²	42.6	42%	0.422	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-45	179	-61.2	-177	-172.2	165.1	0	111.4	Q439 T477	Q439-K550 CarbonylContact C-O 3.59Å; T477-K550 HydrophobicContact CG2-CB 4.09Å; T477-K550 HydrophobicContact CG2-CD 3.95Å; T477-K550 HydrophobicContact CG2-CG 4.44Å; T477-K550 PolarHBondContact O-N 3.45Å
551	E	97	Very high	95.8	Very high	33 Å²	33	42.6 Å²	42.6	15%	0.154	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	149.9	176.5	52.2	170.7	175.2	0	0	111.4	V438 Q439 T477 K516 L549	V438-E551 CarbonylContact O-C 3.55Å; V438-E551 WeakPolarHBondContact O-CA 3.21Å; Q439-E551 PolarHBondContact NE2-OE2 3.46Å; Q439-E551 VanDerWaalsContact NE2-OE2 3.07Å; Q439-E551 PolarHBondContact OE1-OE2 2.91Å; T477-E551 HydrophobicContact CG2-CG 4.37Å; T477-E551 PolarHBondContact N-O 3.07Å; T477-E551 PolarHBondContact O-N 2.95Å; T477-E551 VanDerWaalsContact OG1-CG 3.31Å; T477-E551 WeakPolarHBondContact OG1-CG 3.48Å; T477-E551 PolarHBondContact OG1-OE1 3.16Å; K516-E551 WeakPolarHBondContact CE-OE1 3.28Å; K516-E551 WeakPolarHBondContact CG-OE1 3.3Å; L549-E551 WeakPolarHBondContact CD1-O 3.44Å
552	W	96.4	Very high	96.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	129	169.5	159.9	39.3	0	0	0	108.2	S437 V438 L452 L454 V475 I476 L535 L549	S437-W552 CarbonylContact C-O 3.55Å; S437-W552 WeakPolarHBondContact CA-O 3.13Å; V438-W552 HydrophobicContact CB-CE3 4.43Å; V438-W552 HydrophobicContact CG2-CE3 3.86Å; V438-W552 HydrophobicContact CG2-CZ3 4.26Å; V438-W552 PolarHBondContact N-O 3.08Å; V438-W552 PolarHBondContact O-N 2.86Å; L452-W552 HydrophobicContact CB-CE3 3.94Å; L452-W552 HydrophobicContact CB-CZ3 3.52Å; L452-W552 HydrophobicContact CD1-CE3 4.14Å; L454-W552 HydrophobicContact CB-CH2 4.04Å; L454-W552 HydrophobicContact CD1-CD2 4.02Å; L454-W552 HydrophobicContact CD1-CE3 4Å; L454-W552 HydrophobicContact CD1-CH2 3.59Å; L454-W552 HydrophobicContact CD1-CZ2 3.6Å; L454-W552 HydrophobicContact CD1-CZ3 3.78Å; L454-W552 HydrophobicContact CG-CE3 4.29Å; L454-W552 HydrophobicContact CG-CH2 3.61Å; L454-W552 HydrophobicContact CG-CZ2 4.15Å; L454-W552 HydrophobicContact CG-CZ3 3.68Å; V475-W552 CarbonylContact O-C 3.59Å; V475-W552 WeakPolarHBondContact O-CA 3.49Å; I476-W552 HydrophobicContact CG1-CB 4.47Å; L535-W552 HydrophobicContact CB-CD2 4.07Å; L535-W552 HydrophobicContact CB-CE3 3.9Å; L535-W552 HydrophobicContact CB-CH2 3.52Å; L535-W552 HydrophobicContact CB-CZ2 3.68Å; L535-W552 HydrophobicContact CB-CZ3 3.64Å; L535-W552 HydrophobicContact CD2-CB 4.07Å; L535-W552 HydrophobicContact CD2-CD2 3.43Å; L535-W552 VanDerWaalsContact CD2-CD2 3.43Å; L535-W552 HydrophobicContact CD2-CE3 3.75Å; L535-W552 HydrophobicContact CD2-CG 3.56Å; L535-W552 HydrophobicContact CD2-CZ2 4.45Å; L535-W552 HydrophobicContact CD2-CZ3 4.37Å; L535-W552 HydrophobicContact CG-CD2 4.33Å; L535-W552 HydrophobicContact CG-CE3 4.48Å; L549-W552 HydrophobicContact CD2-CB 4.28Å
553	T	98.6	Very high	96.7	Very high	22 Å²	22	35.6 Å²	35.6	14%	0.135	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.4	170.5	-62.5	0	0	0	0	110.3	V434 S437 V475 M555	V434-T553 HydrophobicContact CG1-CG2 3.7Å; S437-T553 WeakPolarHBondContact CB-OG1 3.3Å; S437-T553 WeakPolarHBondContact OG-CB 3.29Å; S437-T553 VanDerWaalsContact OG-CG2 3.29Å; S437-T553 WeakPolarHBondContact OG-CG2 3.37Å; S437-T553 PolarHBondContact OG-OG1 3.03Å; V475-T553 PolarHBondContact N-O 3.27Å; V475-T553 PolarHBondContact O-N 3.23Å; T553-M555 HydrophobicContact CG2-CG 4.18Å
554	L	98.8	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.4	173.6	178	66.1	0	0	0	109.5	V434 G435 G436 L454 T456 V472 M490 W533 L556	V434-L554 CarbonylContact C-O 3.48Å; G435-L554 PolarHBondContact N-O 2.65Å; G436-L554 PolarHBondContact O-N 3.1Å; L454-L554 HydrophobicContact CD1-CB 4.18Å; T456-L554 HydrophobicContact CG2-CD2 4.48Å; V472-L554 HydrophobicContact CG1-CD1 3.64Å; M490-L554 HydrophobicContact SD-CD1 4.08Å; W533-L554 HydrophobicContact CB-CD2 3.95Å; W533-L554 HydrophobicContact CD2-CD1 4.15Å; W533-L554 HydrophobicContact CD2-CD2 3.82Å; W533-L554 HydrophobicContact CE3-CD1 4.16Å; W533-L554 HydrophobicContact CG-CD2 3.46Å; W533-L554 VanDerWaalsContact CG-CD2 3.46Å; L554-L556 HydrophobicContact CD1-CD2 4Å; L554-L556 HydrophobicContact CD2-CD2 4.08Å; L554-L556 HydrophobicContact CD2-CG 4.47Å; L554-L556 HydrophobicContact CG-CD2 3.91Å; L554-L556 HydrophobicContact CG-CG 4.21Å
555	M	98.6	Very high	96.8	Very high	50 Å²	50	31 Å²	31	25%	0.246	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.9	173.6	-54.6	-160.4	-53.8	0	0	110	V472 Q473 V475 T553	V472-M555 WeakPolarHBondContact CA-O 3.39Å; Q473-M555 HydrophobicContact CB-CB 4.26Å; Q473-M555 HydrophobicContact CB-CE 4.16Å; Q473-M555 PolarHBondContact N-O 2.86Å; Q473-M555 PolarHBondContact O-N 2.95Å; V475-M555 HydrophobicContact CG2-CE 3.52Å; V475-M555 HydrophobicContact CG2-CG 4.06Å; V475-M555 HydrophobicContact CG2-SD 3.94Å; T553-M555 HydrophobicContact CG2-CG 4.18Å
556	L	98.8	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.4	-176	-54.4	167.3	0	0	0	108	H432 C433 T456 A458 V466 L469 V472 A529 W533 L554	H432-L556 CarbonylContact C-O 3.56Å; H432-L556 VanDerWaalsContact CA-O 3.22Å; H432-L556 WeakPolarHBondContact CA-O 3.24Å; C433-L556 HydrophobicContact CB-CB 4.37Å; C433-L556 PolarHBondContact N-O 3.29Å; C433-L556 PolarHBondContact O-N 3.28Å; T456-L556 HydrophobicContact CG2-CD1 4.27Å; A458-L556 HydrophobicContact CB-CD1 3.87Å; V466-L556 HydrophobicContact CB-CB 4.4Å; V466-L556 HydrophobicContact CG1-CB 4.32Å; L469-L556 HydrophobicContact CD2-CB 4.15Å; L469-L556 HydrophobicContact CD2-CD2 4Å; V472-L556 HydrophobicContact CG1-CD2 4.11Å; V472-L556 HydrophobicContact CG2-CD2 4.2Å; A529-L556 HydrophobicContact CB-CD1 4.05Å; A529-L556 HydrophobicContact CB-CD2 4.47Å; W533-L556 HydrophobicContact CH2-CD2 4.42Å; W533-L556 HydrophobicContact CZ2-CD2 3.78Å; L554-L556 HydrophobicContact CD1-CD2 4Å; L554-L556 HydrophobicContact CD2-CD2 4.08Å; L554-L556 HydrophobicContact CD2-CG 4.47Å; L554-L556 HydrophobicContact CG-CD2 3.91Å; L554-L556 HydrophobicContact CG-CG 4.21Å
557	H	98.7	Very high	96.5	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.037	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.4	175.8	-55.9	-78.5	0	0	0	109.7	M291 R430 F431 H432 E470 H471 Q473	M291-H557 WeakPolarHBondContact CE-NE2 3.44Å; R430-H557 PolarHBondContact NH1-ND1 2.83Å; R430-H557 VanDerWaalsContact NH1-ND1 3.18Å; F431-H557 WeakPolarHBondContact O-CA 3.43Å; H432-H557 WeakPolarHBondContact CB-ND1 3.2Å; E470-H557 PolarHBondContact N-O 2.02Å; H471-H557 HydrophobicContact CB-CB 4.16Å; H471-H557 PolarHBondContact N-O 2.89Å; H471-H557 WeakPolarHBondContact O-CB 3.11Å; H471-H557 PolarHBondContact O-N 3.38Å; Q473-H557 PolarHBondContact OE1-NE2 2.97Å
558	G	98.4	Very high	96.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.2	-148	179.1	0	0	0	0	0	112.7	F431 Y468	F431-G558 PolarHBondContact N-O 3.36Å; F431-G558 PolarHBondContact O-N 3.45Å; Y468-G558 VanDerWaalsContact O-CA 3.26Å; Y468-G558 WeakPolarHBondContact O-CA 3.46Å
559	T	98.4	Very high	95.8	Very high	1 Å²	1	31 Å²	31	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	156.3	-174.7	57.8	0	0	0	0	112.1	P428 R467 Y468 S561	P428-T559 HydrophobicContact CB-CG2 3.96Å; P428-T559 HydrophobicContact CG-CG2 4.39Å; R467-T559 PolarHBondContact N-O 2.71Å; Y468-T559 PolarHBondContact N-O 3.46Å; Y468-T559 PolarHBondContact O-N 3.03Å; T559-S561 PolarHBondContact OG1-O 3.5Å; T559-S561 VanDerWaalsContact OG1-O 3.05Å
560	Q	96.2	Very high	95.3	Very high	57 Å²	57	39.7 Å²	39.7	27%	0.266	20%	0.201	S	C	.	.	S	Bend	trans	-82.6	-32.2	172.5	-70.4	178.2	17.1	0	0	112.5	F431 E463 F465	F431-Q560 HydrophobicContact CD2-CB 4.47Å; F431-Q560 HydrophobicContact CD2-CG 3.68Å; F431-Q560 HydrophobicContact CE2-CB 4.41Å; F431-Q560 HydrophobicContact CE2-CG 3.87Å; F431-Q560 HydrophobicContact CG-CG 4.21Å; E463-Q560 PolarHBondContact O-NE2 3.43Å; F465-Q560 HydrophobicContact CB-CG 3.98Å; F465-Q560 HydrophobicContact CD1-CB 4.27Å; F465-Q560 HydrophobicContact CD1-CG 4Å; F465-Q560 HydrophobicContact CG-CG 4.34Å; F465-Q560 WeakPolarHBondContact O-CG 3.29Å; F465-Q560 PolarHBondContact O-NE2 3.06Å
561	S	94.7	Very high	94.7	Very high	69 Å²	69	39.4 Å²	39.4	48%	0.483	20%	0.204	S	C	.	.	S	Bend	trans	-113.7	150.7	-175	-53	0	0	0	0	110.5	Y468 T559 P563	Y468-S561 VanDerWaalsContact CD2-C 3.47Å; Y468-S561 WeakPolarHBondContact CD2-O 3.05Å; Y468-S561 VanDerWaalsContact CE2-C 3.4Å; T559-S561 PolarHBondContact OG1-O 3.5Å; T559-S561 VanDerWaalsContact OG1-O 3.05Å; S561-P563 WeakPolarHBondContact O-CD 3.04Å
562	A	95.5	Very high	94.2	Very high	12 Å²	12	47.4 Å²	47.4	10%	0.099	23%	0.234	C	C	.	.			trans	-54.3	115.9	-177.9	0	0	0	0	0	111.8	Y468 Y564 I565 E583	Y468-A562 HydrophobicContact CE2-CB 3.98Å; A562-Y564 VanDerWaalsContact C-N 3.3Å; A562-Y564 PolarHBondContact O-N 2.88Å; A562-I565 HydrophobicContact CB-CB 4.16Å; A562-E583 HydrophobicContact CB-CB 4.2Å; A562-E583 HydrophobicContact CB-CG 4.23Å; A562-E583 WeakPolarHBondContact CB-OE2 3.41Å
563	P	95.9	Very high	93.7	Very high	7 Å²	7	54.5 Å²	54.5	5%	0.045	27%	0.267	C	S	.	.	S	Bend	trans	-72	-19.9	-175.7	27.2	-35.5	0	0	0	113.8	V427 S561 Q567 E583	V427-P563 HydrophobicContact CB-CB 4.29Å; V427-P563 HydrophobicContact CG1-CB 4.02Å; S561-P563 WeakPolarHBondContact O-CD 3.04Å; P563-Q567 PolarHBondContact O-NE2 3.41Å; P563-E583 WeakPolarHBondContact CD-OE1 3.29Å; P563-E583 WeakPolarHBondContact CG-OE1 3.32Å
564	Y	95.9	Very high	93.3	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	27%	0.269	C	S	.	.	S	Bend	trans	-110.5	-3.6	-171.8	-50.4	-41.8	0	0	0	115.6	H376 L380 W424 W525 A562 D566 Q567 L576 K580 E583	H376-Y564 AromaticContact ND1-CE1 3.53Å; H376-Y564 AromaticContact ND1-CZ 3.54Å; H376-Y564 PolarHBondContact ND1-OH 3.33Å; L380-Y564 HydrophobicContact CD1-CD1 4.28Å; L380-Y564 HydrophobicContact CD1-CE1 3.73Å; L380-Y564 HydrophobicContact CD2-CE2 4.36Å; W424-Y564 HydrophobicContact CH2-CD1 4.04Å; W424-Y564 AromaticContact CH2-CE1 3.82Å; W424-Y564 HydrophobicContact CH2-CE1 3.82Å; W424-Y564 HydrophobicContact CZ2-CE1 4.45Å; W525-Y564 PolarHBondContact NE1-OH 3.31Å; A562-Y564 VanDerWaalsContact C-N 3.3Å; A562-Y564 PolarHBondContact O-N 2.88Å; Y564-D566 PolarHBondContact O-N 2.94Å; Y564-D566 VanDerWaalsContact O-N 3.11Å; Y564-Q567 HydrophobicContact CD1-CG 4.21Å; Y564-Q567 WeakPolarHBondContact O-CB 3.1Å; Y564-Q567 PolarHBondContact O-N 3.22Å; Y564-L576 HydrophobicContact CD1-CD1 3.97Å; Y564-L576 HydrophobicContact CD2-CD1 4.44Å; Y564-L576 HydrophobicContact CG-CD1 3.8Å; Y564-K580 WeakPolarHBondContact O-CD 3.49Å; Y564-K580 WeakPolarHBondContact O-CE 3.41Å; Y564-E583 WeakPolarHBondContact CA-OE2 3.04Å; Y564-E583 WeakPolarHBondContact CB-OE2 3.4Å; Y564-E583 WeakPolarHBondContact CD2-OE1 3.4Å; Y564-E583 PolarHBondContact N-OE1 2.83Å; Y564-E583 PolarHBondContact N-OE2 2.86Å
565	I	89.6	Confident	93.1	Very high	67 Å²	67	56 Å²	56	34%	0.344	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.4	-176	-151.7	162.5	0	0	0	112.9	A562 K580 E583 L584	A562-I565 HydrophobicContact CB-CB 4.16Å; I565-K580 WeakPolarHBondContact O-CE 3.31Å; I565-K580 PolarHBondContact O-NZ 3.1Å; I565-E583 PolarHBondContact N-OE2 2.71Å; I565-L584 HydrophobicContact CD1-CD2 4.05Å; I565-L584 HydrophobicContact CG1-CD2 3.99Å
566	D	89.9	Confident	93	Very high	105 Å²	105	53.8 Å²	53.8	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-5.7	-177.5	-81.2	-41.7	0	0	0	114.4	K425 Y564	K425-D566 HydrophobicContact CD-CB 3.73Å; K425-D566 WeakPolarHBondContact CD-O 3.26Å; K425-D566 WeakPolarHBondContact CE-O 3.24Å; K425-D566 PolarHBondContact NZ-O 3.35Å; Y564-D566 PolarHBondContact O-N 2.94Å; Y564-D566 VanDerWaalsContact O-N 3.11Å
567	Q	94.4	Very high	92.7	Very high	7 Å²	7	54.4 Å²	54.4	3%	0.033	27%	0.27	C	S	.	.	S	Bend	trans	-76.4	149.6	-177.8	-55.5	-62.6	-17.1	0	0	111.7	W424 K425 P563 Y564 L576 K580	W424-Q567 HydrophobicContact CH2-CG 4.45Å; W424-Q567 HydrophobicContact CZ3-CG 4.18Å; K425-Q567 VanDerWaalsContact N-OE1 3.08Å; K425-Q567 PolarHBondContact O-NE2 3.47Å; P563-Q567 PolarHBondContact O-NE2 3.41Å; Y564-Q567 HydrophobicContact CD1-CG 4.21Å; Y564-Q567 WeakPolarHBondContact O-CB 3.1Å; Y564-Q567 PolarHBondContact O-N 3.22Å; Q567-L576 HydrophobicContact CB-CD1 3.93Å; Q567-L576 HydrophobicContact CB-CD2 4.04Å; Q567-L576 HydrophobicContact CG-CD1 4.23Å; Q567-K580 PolarHBondContact O-NZ 3.15Å
568	V	90.8	Very high	92.4	Very high	79 Å²	79	57.2 Å²	57.2	48%	0.479	28%	0.283	S	S	.	.			trans	-86.9	116.3	-179.4	-177.5	0	0	0	0	110.5	R570	V568-R570 HydrophobicContact CG1-CG 4.24Å
569	V	90.3	Very high	92.1	Very high	34 Å²	34	57.3 Å²	57.3	21%	0.206	28%	0.284	C	S	.	.			trans	-88.6	113.1	174.5	178	0	0	0	0	109.8	Y572 L576 A577 K580	V569-Y572 HydrophobicContact CG1-CD1 4.31Å; V569-L576 HydrophobicContact CG2-CD2 4.35Å; V569-L576 HydrophobicContact CG2-CG 4.18Å; V569-A577 HydrophobicContact CG1-CB 3.6Å; V569-K580 HydrophobicContact CG2-CD 3.7Å
570	R	86	Confident	91.9	Very high	185 Å²	185	59.1 Å²	59.1	70%	0.698	29%	0.292	S	S	*	.	S	Bend	trans	-97.2	-30	176.7	-66.8	177.2	173.7	-107.6	2.9	113.3	D423 V568	D423-R570 IonicContact OD2-CZ 3.18Å; D423-R570 IonicContact OD2-NE 3.83Å; D423-R570 PolarHBondContact OD2-NE 2.96Å; D423-R570 IonicContact OD2-NH2 3.99Å; D423-R570 PolarHBondContact OD2-NH2 2.98Å; V568-R570 HydrophobicContact CG1-CG 4.24Å
571	D	86.5	Confident	91.6	Very high	90 Å²	90	62 Å²	62	48%	0.481	30%	0.304	S	S	.	.			trans	-122.8	116.9	176.4	179	8.1	0	0	0	109.6	Q573 S574 A577	D571-Q573 PolarHBondContact O-N 3.2Å; D571-Q573 PolarHBondContact OD1-N 2.85Å; D571-S574 VanDerWaalsContact O-CB 3.26Å; D571-S574 WeakPolarHBondContact O-CB 3.07Å; D571-S574 PolarHBondContact O-N 3.41Å; D571-S574 VanDerWaalsContact O-N 3.08Å; D571-S574 PolarHBondContact O-OG 3.03Å; D571-A577 WeakPolarHBondContact O-CB 3.41Å
572	Y	85.8	Confident	91.5	Very high	202 Å²	202	61.4 Å²	61.4	79%	0.792	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.7	-179.4	-63.4	-77.3	0	0	0	113.8	V569 A577	V569-Y572 HydrophobicContact CG1-CD1 4.31Å; Y572-A577 WeakPolarHBondContact O-CB 3.44Å
573	Q	85.3	Confident	91.3	Very high	149 Å²	149	61.1 Å²	61.1	70%	0.696	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.1	172	-58.3	-164.8	-46.4	0	0	113	D571	D571-Q573 PolarHBondContact O-N 3.2Å; D571-Q573 PolarHBondContact OD1-N 2.85Å
574	S	91.6	Very high	91.1	Very high	26 Å²	26	64.8 Å²	64.8	18%	0.182	31%	0.309	C	S	.	.	S	Bend	trans	-71.4	158.2	-179.9	66.9	0	0	0	0	112.5	D571 L576 A577 M578	D571-S574 VanDerWaalsContact O-CB 3.26Å; D571-S574 WeakPolarHBondContact O-CB 3.07Å; D571-S574 PolarHBondContact O-N 3.41Å; D571-S574 VanDerWaalsContact O-N 3.08Å; D571-S574 PolarHBondContact O-OG 3.03Å; S574-L576 PolarHBondContact O-N 3.33Å; S574-A577 WeakPolarHBondContact O-CB 3.39Å; S574-A577 PolarHBondContact O-N 3.43Å; S574-A577 VanDerWaalsContact O-N 3.1Å; S574-A577 PolarHBondContact OG-N 3.35Å; S574-M578 PolarHBondContact O-N 3.44Å; S574-M578 VanDerWaalsContact O-N 3.13Å
575	K	94.8	Very high	90.7	Very high	26 Å²	26	68.6 Å²	68.6	11%	0.113	33%	0.327	C	S	.	.	H	α-helix	trans	-55	-41.2	170.8	-73.4	176.4	171.7	173.7	0	112.1	V379 L380 S382 L401 Y409 A577 M578 S579	V379-K575 WeakPolarHBondContact O-CD 3.11Å; V379-K575 PolarHBondContact O-NZ 3.35Å; L380-K575 HydrophobicContact CD2-CB 4.04Å; L380-K575 WeakPolarHBondContact O-CB 3.27Å; S382-K575 WeakPolarHBondContact O-CE 3.47Å; S382-K575 PolarHBondContact O-NZ 3.28Å; L401-K575 HydrophobicContact CD2-CB 3.54Å; L401-K575 HydrophobicContact CD2-CD 4.03Å; L401-K575 HydrophobicContact CD2-CG 3.7Å; Y409-K575 PolarHBondContact O-NZ 2.82Å; K575-A577 VanDerWaalsContact C-N 3.33Å; K575-A577 PolarHBondContact O-N 3.29Å; K575-M578 HydrophobicContact CB-CE 4.43Å; K575-M578 HydrophobicContact CG-CE 4.08Å; K575-M578 PolarHBondContact O-N 3.43Å; K575-M578 VanDerWaalsContact O-N 3.15Å; K575-S579 PolarHBondContact O-N 3.45Å; K575-S579 PolarHBondContact O-OG 3.04Å
576	L	94.8	Very high	90.6	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-42.3	175.9	177.5	63.7	0	0	0	111.9	L380 M420 Y564 Q567 V569 S574 M578 K580	L380-L576 HydrophobicContact CD1-CB 4.44Å; L380-L576 HydrophobicContact CD1-CD1 4Å; L380-L576 HydrophobicContact CD2-CB 4.41Å; M420-L576 HydrophobicContact CE-CB 4.11Å; M420-L576 HydrophobicContact CE-CD2 4.18Å; Y564-L576 HydrophobicContact CD1-CD1 3.97Å; Y564-L576 HydrophobicContact CD2-CD1 4.44Å; Y564-L576 HydrophobicContact CG-CD1 3.8Å; Q567-L576 HydrophobicContact CB-CD1 3.93Å; Q567-L576 HydrophobicContact CB-CD2 4.04Å; Q567-L576 HydrophobicContact CG-CD1 4.23Å; V569-L576 HydrophobicContact CG2-CD2 4.35Å; V569-L576 HydrophobicContact CG2-CG 4.18Å; S574-L576 PolarHBondContact O-N 3.33Å; L576-M578 VanDerWaalsContact C-N 3.32Å; L576-M578 PolarHBondContact O-N 2.92Å; L576-K580 WeakPolarHBondContact O-CB 3.19Å; L576-K580 PolarHBondContact O-N 3.14Å
577	A	92.8	Very high	90.5	Very high	14 Å²	14	64.2 Å²	64.2	12%	0.116	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-39.7	176.9	0	0	0	0	0	112.1	V569 D571 Y572 S574 K575 K581	V569-A577 HydrophobicContact CG1-CB 3.6Å; D571-A577 WeakPolarHBondContact O-CB 3.41Å; Y572-A577 WeakPolarHBondContact O-CB 3.44Å; S574-A577 WeakPolarHBondContact O-CB 3.39Å; S574-A577 PolarHBondContact O-N 3.43Å; S574-A577 VanDerWaalsContact O-N 3.1Å; S574-A577 PolarHBondContact OG-N 3.35Å; K575-A577 VanDerWaalsContact C-N 3.33Å; K575-A577 PolarHBondContact O-N 3.29Å; A577-K581 VanDerWaalsContact O-CB 3.24Å; A577-K581 WeakPolarHBondContact O-CB 2.9Å; A577-K581 PolarHBondContact O-N 2.99Å
578	M	92.3	Very high	90.3	Very high	66 Å²	66	69 Å²	69	33%	0.325	33%	0.327	S	S	.	.	H	α-helix	trans	-66.2	-52.4	177.9	-66	-173.5	-68.3	0	0	111.3	S574 K575 L576 K580 K581 E582	S574-M578 PolarHBondContact O-N 3.44Å; S574-M578 VanDerWaalsContact O-N 3.13Å; K575-M578 HydrophobicContact CB-CE 4.43Å; K575-M578 HydrophobicContact CG-CE 4.08Å; K575-M578 PolarHBondContact O-N 3.43Å; K575-M578 VanDerWaalsContact O-N 3.15Å; L576-M578 VanDerWaalsContact C-N 3.32Å; L576-M578 PolarHBondContact O-N 2.92Å; M578-K580 PolarHBondContact O-N 3.22Å; M578-K581 WeakPolarHBondContact O-CB 3.48Å; M578-K581 PolarHBondContact O-N 2.81Å; M578-E582 PolarHBondContact O-N 3.18Å; M578-E582 VanDerWaalsContact O-N 3.13Å
579	S	92.9	Very high	90.1	Very high	3 Å²	3	70.3 Å²	70.3	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-43.1	179.8	-57.5	0	0	0	0	112.4	K575 K581 E582 E583	K575-S579 PolarHBondContact O-N 3.45Å; K575-S579 PolarHBondContact O-OG 3.04Å; S579-K581 VanDerWaalsContact C-N 3.27Å; S579-K581 PolarHBondContact O-N 2.71Å; S579-E582 PolarHBondContact O-N 2.92Å; S579-E583 WeakPolarHBondContact O-CG 3.37Å; S579-E583 PolarHBondContact O-N 3.42Å
580	K	93.3	Very high	89.9	Confident	39 Å²	39	70.7 Å²	70.7	17%	0.17	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-35.6	176.6	-175.8	174.5	-171.6	164.7	0	112.5	Y564 I565 Q567 V569 L576 M578 L584	Y564-K580 WeakPolarHBondContact O-CD 3.49Å; Y564-K580 WeakPolarHBondContact O-CE 3.41Å; I565-K580 WeakPolarHBondContact O-CE 3.31Å; I565-K580 PolarHBondContact O-NZ 3.1Å; Q567-K580 PolarHBondContact O-NZ 3.15Å; V569-K580 HydrophobicContact CG2-CD 3.7Å; L576-K580 WeakPolarHBondContact O-CB 3.19Å; L576-K580 PolarHBondContact O-N 3.14Å; M578-K580 PolarHBondContact O-N 3.22Å; K580-L584 HydrophobicContact CG-CD1 4.29Å; K580-L584 VanDerWaalsContact O-CG 3.31Å; K580-L584 WeakPolarHBondContact O-CG 3.19Å; K580-L584 PolarHBondContact O-N 3.08Å; K580-L584 VanDerWaalsContact O-N 3.16Å
581	K	91.8	Very high	89.9	Confident	118 Å²	118	63.6 Å²	63.6	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-47	177	-176.1	-164.7	166.9	-144.5	0	110.3	A577 M578 S579 L584 E585	A577-K581 VanDerWaalsContact O-CB 3.24Å; A577-K581 WeakPolarHBondContact O-CB 2.9Å; A577-K581 PolarHBondContact O-N 2.99Å; M578-K581 WeakPolarHBondContact O-CB 3.48Å; M578-K581 PolarHBondContact O-N 2.81Å; S579-K581 VanDerWaalsContact C-N 3.27Å; S579-K581 PolarHBondContact O-N 2.71Å; K581-L584 PolarHBondContact O-N 3.45Å; K581-E585 WeakPolarHBondContact CE-OE1 3.43Å; K581-E585 IonicContact NZ-OE1 3.4Å; K581-E585 PolarHBondContact NZ-OE1 3.07Å; K581-E585 IonicContact NZ-OE2 2.63Å; K581-E585 PolarHBondContact O-N 3.18Å
582	E	91.4	Very high	90.1	Very high	56 Å²	56	62.7 Å²	62.7	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-59.5	-47.6	178.1	-163.3	68.2	-162.7	0	0	111.3	V399 M578 S579 L584 E585 E586	V399-E582 HydrophobicContact CB-CB 4.46Å; V399-E582 HydrophobicContact CB-CG 4.3Å; V399-E582 HydrophobicContact CG1-CG 4Å; M578-E582 PolarHBondContact O-N 3.18Å; M578-E582 VanDerWaalsContact O-N 3.13Å; S579-E582 PolarHBondContact O-N 2.92Å; E582-L584 VanDerWaalsContact C-N 3.28Å; E582-L584 PolarHBondContact O-N 3.08Å; E582-E585 PolarHBondContact O-N 2.95Å; E582-E585 VanDerWaalsContact O-N 3.08Å; E582-E586 PolarHBondContact O-N 3.14Å
583	E	91.2	Very high	90.2	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.023	30%	0.295	C	S	.	.	H	α-helix	trans	-55.5	-41.4	176.6	-71.9	175	-173.2	0	0	112.7	Y468 A562 P563 Y564 I565 S579 E587	Y468-E583 HydrophobicContact CD1-CG 4.21Å; Y468-E583 HydrophobicContact CE1-CB 4.48Å; Y468-E583 HydrophobicContact CE1-CG 3.82Å; A562-E583 HydrophobicContact CB-CB 4.2Å; A562-E583 HydrophobicContact CB-CG 4.23Å; A562-E583 WeakPolarHBondContact CB-OE2 3.41Å; P563-E583 WeakPolarHBondContact CD-OE1 3.29Å; P563-E583 WeakPolarHBondContact CG-OE1 3.32Å; Y564-E583 WeakPolarHBondContact CA-OE2 3.04Å; Y564-E583 WeakPolarHBondContact CB-OE2 3.4Å; Y564-E583 WeakPolarHBondContact CD2-OE1 3.4Å; Y564-E583 PolarHBondContact N-OE1 2.83Å; Y564-E583 PolarHBondContact N-OE2 2.86Å; I565-E583 PolarHBondContact N-OE2 2.71Å; S579-E583 WeakPolarHBondContact O-CG 3.37Å; S579-E583 PolarHBondContact O-N 3.42Å; E583-E587 WeakPolarHBondContact O-CB 3.35Å; E583-E587 VanDerWaalsContact O-CG 3.28Å; E583-E587 WeakPolarHBondContact O-CG 3.45Å; E583-E587 PolarHBondContact O-N 3.47Å
584	L	90.9	Very high	90.3	Very high	84 Å²	84	58.6 Å²	58.6	44%	0.44	29%	0.29	S	S	.	.	H	α-helix	trans	-69.7	-36	178.6	-74	170.1	0	0	0	112.7	I565 K580 K581 E582 L588	I565-L584 HydrophobicContact CD1-CD2 4.05Å; I565-L584 HydrophobicContact CG1-CD2 3.99Å; K580-L584 HydrophobicContact CG-CD1 4.29Å; K580-L584 VanDerWaalsContact O-CG 3.31Å; K580-L584 WeakPolarHBondContact O-CG 3.19Å; K580-L584 PolarHBondContact O-N 3.08Å; K580-L584 VanDerWaalsContact O-N 3.16Å; K581-L584 PolarHBondContact O-N 3.45Å; E582-L584 VanDerWaalsContact C-N 3.28Å; E582-L584 PolarHBondContact O-N 3.08Å; L584-L588 VanDerWaalsContact O-CB 3.3Å; L584-L588 WeakPolarHBondContact O-CB 3.38Å; L584-L588 PolarHBondContact O-N 2.74Å; L584-L588 VanDerWaalsContact O-N 3.14Å
585	E	89.4	Confident	90.1	Very high	82 Å²	82	60.6 Å²	60.6	38%	0.383	30%	0.304	S	S	.	.	H	α-helix	trans	-66.8	-45.5	175.9	-72.9	179.5	164.3	0	0	110.1	K581 E582 L588 D589	K581-E585 WeakPolarHBondContact CE-OE1 3.43Å; K581-E585 IonicContact NZ-OE1 3.4Å; K581-E585 PolarHBondContact NZ-OE1 3.07Å; K581-E585 IonicContact NZ-OE2 2.63Å; K581-E585 PolarHBondContact O-N 3.18Å; E582-E585 PolarHBondContact O-N 2.95Å; E582-E585 VanDerWaalsContact O-N 3.08Å; E585-L588 PolarHBondContact O-N 2.69Å; E585-D589 PolarHBondContact O-N 3.28Å
586	E	86.6	Confident	89.8	Confident	26 Å²	26	63.9 Å²	63.9	12%	0.121	32%	0.322	C	S	.	.	H	α-helix	trans	-63.5	-44.7	176.8	-69.3	-178.2	179.8	0	0	113.6	R467 Y468 E582 L588 D589 E590	R467-E586 IonicContact NH2-OE2 2.91Å; Y468-E586 WeakPolarHBondContact CE1-OE2 3.35Å; E582-E586 PolarHBondContact O-N 3.14Å; E586-L588 VanDerWaalsContact C-N 3.28Å; E586-L588 PolarHBondContact O-N 3.31Å; E586-D589 PolarHBondContact O-N 2.82Å; E586-E590 PolarHBondContact O-N 3.27Å; E586-E590 VanDerWaalsContact O-N 3.07Å
587	E	87.4	Confident	89.3	Confident	54 Å²	54	70.1 Å²	70.1	25%	0.252	35%	0.35	S	S	.	.	H	α-helix	trans	-63.8	-36	177.9	-77.6	-71.7	164.9	0	0	111.7	R467 Y468 E583 A591	R467-E587 IonicContact CZ-OE1 3.26Å; R467-E587 IonicContact NH1-OE1 3.35Å; R467-E587 PolarHBondContact NH1-OE1 3.48Å; R467-E587 VanDerWaalsContact NH1-OE1 3.16Å; Y468-E587 PolarHBondContact OH-OE1 2.85Å; E583-E587 WeakPolarHBondContact O-CB 3.35Å; E583-E587 VanDerWaalsContact O-CG 3.28Å; E583-E587 WeakPolarHBondContact O-CG 3.45Å; E583-E587 PolarHBondContact O-N 3.47Å; E587-A591 WeakPolarHBondContact O-CB 3.48Å; E587-A591 PolarHBondContact O-N 2.74Å; E587-A591 VanDerWaalsContact O-N 3.08Å
588	L	89.8	Confident	89	Confident	108 Å²	108	72 Å²	72	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-66.8	-46.4	175.2	179.5	62.2	0	0	0	111.3	L584 E585 E586 E590 A591 V592	L584-L588 VanDerWaalsContact O-CB 3.3Å; L584-L588 WeakPolarHBondContact O-CB 3.38Å; L584-L588 PolarHBondContact O-N 2.74Å; L584-L588 VanDerWaalsContact O-N 3.14Å; E585-L588 PolarHBondContact O-N 2.69Å; E586-L588 VanDerWaalsContact C-N 3.28Å; E586-L588 PolarHBondContact O-N 3.31Å; L588-E590 VanDerWaalsContact C-N 3.34Å; L588-E590 PolarHBondContact O-N 3.3Å; L588-A591 WeakPolarHBondContact O-CB 3.44Å; L588-A591 PolarHBondContact O-N 3.28Å; L588-V592 HydrophobicContact CD1-CG2 4.41Å; L588-V592 WeakPolarHBondContact O-CG2 3.39Å; L588-V592 PolarHBondContact O-N 3.02Å
589	D	87.6	Confident	88.7	Confident	105 Å²	105	73.9 Å²	73.9	56%	0.561	37%	0.372	S	S	*	.	H	α-helix	trans	-60.8	-43.2	180	-78	-12.7	0	0	0	111.4	E585 E586 A591 V592 E593	E585-D589 PolarHBondContact O-N 3.28Å; E586-D589 PolarHBondContact O-N 2.82Å; D589-A591 PolarHBondContact O-N 3.07Å; D589-V592 PolarHBondContact O-N 3.4Å; D589-E593 PolarHBondContact O-N 2.98Å
590	E	85.3	Confident	88.2	Confident	43 Å²	43	79.7 Å²	79.7	20%	0.201	40%	0.402	C	S	.	.	H	α-helix	trans	-66.2	-36.1	174.8	-76	-167.3	168.3	0	0	113.4	R467 R530 E586 L588 V592 E593 R594	R467-E590 VanDerWaalsContact CZ-CD 3.41Å; R467-E590 IonicContact CZ-OE1 3.94Å; R467-E590 VanDerWaalsContact CZ-OE1 3.29Å; R467-E590 IonicContact CZ-OE2 2.65Å; R467-E590 VanDerWaalsContact NH1-CD 3.25Å; R467-E590 IonicContact NH1-OE1 3.32Å; R467-E590 PolarHBondContact NH1-OE1 3.36Å; R467-E590 IonicContact NH1-OE2 3.03Å; R467-E590 PolarHBondContact NH1-OE2 3.2Å; R467-E590 IonicContact NH2-OE1 2.75Å; R467-E590 PolarHBondContact NH2-OE1 3.29Å; R467-E590 VanDerWaalsContact NH2-OE1 3.15Å; R467-E590 IonicContact NH2-OE2 3.95Å; R467-E590 PolarHBondContact NH2-OE2 3.07Å; R530-E590 IonicContact CZ-OE1 3.18Å; R530-E590 IonicContact NH1-OE1 2.74Å; R530-E590 PolarHBondContact NH1-OE1 2.77Å; R530-E590 IonicContact NH2-OE1 3.37Å; R530-E590 PolarHBondContact NH2-OE1 3.05Å; E586-E590 PolarHBondContact O-N 3.27Å; E586-E590 VanDerWaalsContact O-N 3.07Å; L588-E590 VanDerWaalsContact C-N 3.34Å; L588-E590 PolarHBondContact O-N 3.3Å; E590-V592 VanDerWaalsContact C-N 3.32Å; E590-E593 PolarHBondContact O-N 3.44Å; E590-R594 WeakPolarHBondContact O-CB 3.17Å; E590-R594 WeakPolarHBondContact O-CG 3.4Å; E590-R594 PolarHBondContact O-N 2.99Å; E590-R594 PolarHBondContact O-NE 3.21Å
591	A	87.3	Confident	87.4	Confident	36 Å²	36	82.1 Å²	82.1	30%	0.298	42%	0.424	S	S	.	.	H	α-helix	trans	-65	-38.9	175.1	0	0	0	0	0	111.4	E587 L588 D589 S595	E587-A591 WeakPolarHBondContact O-CB 3.48Å; E587-A591 PolarHBondContact O-N 2.74Å; E587-A591 VanDerWaalsContact O-N 3.08Å; L588-A591 WeakPolarHBondContact O-CB 3.44Å; L588-A591 PolarHBondContact O-N 3.28Å; D589-A591 PolarHBondContact O-N 3.07Å; A591-S595 WeakPolarHBondContact O-CB 3.16Å; A591-S595 PolarHBondContact O-N 2.91Å; A591-S595 PolarHBondContact O-OG 3.08Å
592	V	89.9	Confident	86.1	Confident	71 Å²	71	84.4 Å²	84.4	43%	0.43	43%	0.434	S	S	.	.	H	α-helix	trans	-66.2	-47.3	174.8	172.3	0	0	0	0	110.5	L588 D589 E590 R594 S595 L596	L588-V592 HydrophobicContact CD1-CG2 4.41Å; L588-V592 WeakPolarHBondContact O-CG2 3.39Å; L588-V592 PolarHBondContact O-N 3.02Å; D589-V592 PolarHBondContact O-N 3.4Å; E590-V592 VanDerWaalsContact C-N 3.32Å; V592-R594 PolarHBondContact O-N 3.23Å; V592-S595 WeakPolarHBondContact O-CB 3.43Å; V592-S595 PolarHBondContact O-N 3.17Å; V592-L596 HydrophobicContact CG1-CD1 3.89Å; V592-L596 HydrophobicContact CG1-CG 4.38Å; V592-L596 WeakPolarHBondContact O-CG 3.41Å; V592-L596 PolarHBondContact O-N 3.19Å
593	E	88.3	Confident	84	Confident	108 Å²	108	90.8 Å²	90.8	51%	0.505	47%	0.47	S	S	.	.	H	α-helix	trans	-59.9	-45.3	177.2	-80.2	-155.3	175.8	0	0	112.9	D589 E590 S595 L596 K597	D589-E593 PolarHBondContact O-N 2.98Å; E590-E593 PolarHBondContact O-N 3.44Å; E593-S595 VanDerWaalsContact C-N 3.28Å; E593-S595 PolarHBondContact O-N 2.87Å; E593-L596 PolarHBondContact O-N 2.94Å; E593-K597 WeakPolarHBondContact O-CB 3.35Å; E593-K597 WeakPolarHBondContact O-CG 3.16Å; E593-K597 PolarHBondContact O-N 3.37Å; E593-K597 IonicContact OE2-NZ 3.32Å; E593-K597 PolarHBondContact OE2-NZ 2.96Å
594	R	87.6	Confident	83.7	Confident	156 Å²	156	95.1 Å²	95.1	59%	0.589	49%	0.492	S	S	*	.	H	α-helix	trans	-60.2	-41.4	176.2	-77.4	-177.1	-71.4	171.7	-7.4	111.3	E590 V592 K597 S598	E590-R594 WeakPolarHBondContact O-CB 3.17Å; E590-R594 WeakPolarHBondContact O-CG 3.4Å; E590-R594 PolarHBondContact O-N 2.99Å; E590-R594 PolarHBondContact O-NE 3.21Å; V592-R594 PolarHBondContact O-N 3.23Å; R594-K597 PolarHBondContact O-N 3.25Å; R594-S598 WeakPolarHBondContact O-CB 3.4Å; R594-S598 PolarHBondContact O-N 3.41Å
595	S	86.5	Confident	83.3	Confident	68 Å²	68	95.7 Å²	95.7	48%	0.476	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-44.9	176.9	-60.9	0	0	0	0	111.5	A591 V592 E593 S598 I599	A591-S595 WeakPolarHBondContact O-CB 3.16Å; A591-S595 PolarHBondContact O-N 2.91Å; A591-S595 PolarHBondContact O-OG 3.08Å; V592-S595 WeakPolarHBondContact O-CB 3.43Å; V592-S595 PolarHBondContact O-N 3.17Å; E593-S595 VanDerWaalsContact C-N 3.28Å; E593-S595 PolarHBondContact O-N 2.87Å; S595-S598 PolarHBondContact O-N 3.17Å; S595-I599 VanDerWaalsContact O-CG1 3.28Å; S595-I599 WeakPolarHBondContact O-CG1 3.36Å; S595-I599 PolarHBondContact O-N 3.05Å
596	L	88.1	Confident	82.9	Confident	95 Å²	95	96.4 Å²	96.4	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-62.2	-46.4	176.5	-73	168.8	0	0	0	112	V592 E593 S598 I599 L600	V592-L596 HydrophobicContact CG1-CD1 3.89Å; V592-L596 HydrophobicContact CG1-CG 4.38Å; V592-L596 WeakPolarHBondContact O-CG 3.41Å; V592-L596 PolarHBondContact O-N 3.19Å; E593-L596 PolarHBondContact O-N 2.94Å; L596-S598 VanDerWaalsContact C-N 3.32Å; L596-S598 PolarHBondContact O-N 3.21Å; L596-I599 PolarHBondContact O-N 3.1Å; L596-L600 WeakPolarHBondContact O-CB 3.41Å; L596-L600 WeakPolarHBondContact O-CG 3.28Å; L596-L600 PolarHBondContact O-N 2.98Å
597	K	85.9	Confident	82.7	Confident	136 Å²	136	100.6 Å²	100.6	59%	0.591	52%	0.524	S	S	*	.	H	α-helix	trans	-60.7	-39.7	175.7	-74.4	172.2	-177.7	158.3	0	111.8	E593 R594 L600 S601	E593-K597 WeakPolarHBondContact O-CB 3.35Å; E593-K597 WeakPolarHBondContact O-CG 3.16Å; E593-K597 PolarHBondContact O-N 3.37Å; E593-K597 IonicContact OE2-NZ 3.32Å; E593-K597 PolarHBondContact OE2-NZ 2.96Å; R594-K597 PolarHBondContact O-N 3.25Å; K597-L600 PolarHBondContact O-N 3.45Å; K597-S601 WeakPolarHBondContact O-CB 3.37Å; K597-S601 PolarHBondContact O-N 3.29Å; K597-S601 PolarHBondContact O-OG 3.21Å
598	S	85.4	Confident	82.4	Confident	53 Å²	53	103.5 Å²	103.5	37%	0.371	54%	0.541	S	S	.	.	H	α-helix	trans	-66.1	-37.1	175.3	-170.6	0	0	0	0	113.3	R594 S595 L596 S601 K602	R594-S598 WeakPolarHBondContact O-CB 3.4Å; R594-S598 PolarHBondContact O-N 3.41Å; S595-S598 PolarHBondContact O-N 3.17Å; L596-S598 VanDerWaalsContact C-N 3.32Å; L596-S598 PolarHBondContact O-N 3.21Å; S598-S601 WeakPolarHBondContact CA-OG 3.32Å; S598-S601 PolarHBondContact O-OG 3.26Å; S598-K602 WeakPolarHBondContact O-CG 3.46Å
599	I	86.6	Confident	81.9	Confident	106 Å²	106	103.2 Å²	103.2	54%	0.544	54%	0.539	S	S	.	.	H	α-helix	trans	-69.8	-44.5	176.3	-67.5	164.1	0	0	0	110.4	S595 L596 S601 K602	S595-I599 VanDerWaalsContact O-CG1 3.28Å; S595-I599 WeakPolarHBondContact O-CG1 3.36Å; S595-I599 PolarHBondContact O-N 3.05Å; L596-I599 PolarHBondContact O-N 3.1Å; I599-S601 PolarHBondContact O-N 3.26Å; I599-K602 PolarHBondContact O-N 3.41Å
600	L	81.4	Confident	81.5	Confident	124 Å²	124	103.1 Å²	103.1	65%	0.649	54%	0.537	S	S	*	.	H	α-helix	trans	-71.8	-26.9	-177.3	-70.9	170.1	0	0	0	113.5	L596 K597 K602	L596-L600 WeakPolarHBondContact O-CB 3.41Å; L596-L600 WeakPolarHBondContact O-CG 3.28Å; L596-L600 PolarHBondContact O-N 2.98Å; K597-L600 PolarHBondContact O-N 3.45Å; L600-K602 VanDerWaalsContact C-N 3.32Å
601	S	76.4	Confident	81.2	Confident	91 Å²	91	107.7 Å²	107.7	64%	0.636	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-7.6	175.9	51.8	0	0	0	0	114.4	K597 S598 I599	K597-S601 WeakPolarHBondContact O-CB 3.37Å; K597-S601 PolarHBondContact O-N 3.29Å; K597-S601 PolarHBondContact O-OG 3.21Å; S598-S601 WeakPolarHBondContact CA-OG 3.32Å; S598-S601 PolarHBondContact O-OG 3.26Å; I599-S601 PolarHBondContact O-N 3.26Å
602	K	64.9	Low	80.7	Confident	165 Å²	165	113.7 Å²	113.7	72%	0.717	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-3.4	177.1	-75.7	177.7	179.9	173.7	0	113.7	S598 I599 L600	S598-K602 WeakPolarHBondContact O-CG 3.46Å; I599-K602 PolarHBondContact O-N 3.41Å; L600-K602 VanDerWaalsContact C-N 3.32Å
603	N	47.9	Very low	79.9	Confident	191 Å²	191	117.5 Å²	117.5	100%	1.021	60%	0.6	S	S	*	*			trans	-106.9	0	168.4	-70.2	-23	0	0	0	109.5

Retrieved 603 of 603 residues in 133.8 ms (Link to these results)

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