H9Z1R6_MACMU Loading...

72 kDa type IV collagenase

AlphaFold DB , UniProt , Accession H9Z1R6, Species MACMU (Macaca mulatta, Rhesus macaque), Gene MMP2, Length 660 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	31.3	Very low	232 Å²	232	154.3 Å²	154.3	100%	1.143	88%	0.882	S	S	*	*				0	85.1	0	-80.8	170.1	160.2	0	0	106.3
2	E	32.7	Very low	31.2	Very low	183 Å²	183	147.2 Å²	147.2	86%	0.855	87%	0.867	S	S	*	*				86.8	94.9	108.2	-79.5	-175.2	155.5	0	0	109.8
3	A	32.4	Very low	31.5	Very low	88 Å²	88	146 Å²	146	73%	0.727	87%	0.867	S	S	*	*				83.2	118.2	83.4	0	0	0	0	0	111.8
4	L	31.8	Very low	31.2	Very low	175 Å²	175	147.9 Å²	147.9	92%	0.916	87%	0.869	S	S	*	*				-166.1	131	128.2	-126.3	88.1	0	0	0	111.5
5	M	32.1	Very low	31.2	Very low	185 Å²	185	154.4 Å²	154.4	91%	0.911	87%	0.873	S	S	*	*			trans	-69.5	150.3	168	-66.4	-171.4	173.7	0	0	111.6
6	A	31.2	Very low	31.2	Very low	105 Å²	105	150.4 Å²	150.4	87%	0.868	87%	0.865	S	S	*	*			trans	-166.9	144	130.6	0	0	0	0	0	111.7
7	R	31.9	Very low	31.3	Very low	257 Å²	257	150.9 Å²	150.9	97%	0.97	86%	0.863	S	S	*	*			trans	-75.6	153.1	-171.2	-65.1	170.5	169.7	-171.3	-4.1	113.3
8	G	28.6	Very low	31.1	Very low	82 Å²	82	148.9 Å²	148.9	85%	0.845	86%	0.859	S	S	*	*			trans	-174.7	105.5	159.9	0	0	0	0	0	111
9	A	29.8	Very low	31.1	Very low	99 Å²	99	149.6 Å²	149.6	82%	0.818	86%	0.858	S	S	*	*			trans	-93.1	139.2	172.5	0	0	0	0	0	109.9
10	L	29.8	Very low	31.2	Very low	157 Å²	157	149.8 Å²	149.8	82%	0.822	86%	0.855	S	S	*	*			trans	-179.1	106.9	151.7	-92.8	150.9	0	0	0	108.3
11	T	29.8	Very low	31.1	Very low	134 Å²	134	146.1 Å²	146.1	82%	0.822	85%	0.85	S	S	*	*				86.7	119.6	114.3	57	0	0	0	0	118.2
12	G	29.4	Very low	30.9	Very low	69 Å²	69	140.5 Å²	140.5	71%	0.711	83%	0.832	S	S	*	*			trans	141.2	138.3	156.5	0	0	0	0	0	114.6
13	P	34.9	Very low	30.8	Very low	132 Å²	132	139.7 Å²	139.7	86%	0.857	83%	0.833	S	S	*	*			trans	-92.7	138.2	-143.3	34.9	-33.5	0	0	0	115.7
14	L	28.1	Very low	30.8	Very low	172 Å²	172	143 Å²	143	90%	0.901	84%	0.837	S	S	*	*			trans	-81.9	117.8	164.2	-95.4	92.6	0	0	0	110.3	A16	L14-A16 PolarHBondContact O-N 3.44Å
15	R	30.8	Very low	30.7	Very low	246 Å²	246	140 Å²	140	93%	0.928	83%	0.831	S	S	*	*			trans	-75	111.9	155.8	-87	-178.8	166.3	-173.7	-4	108.1
16	A	31	Very low	30.8	Very low	90 Å²	90	139.7 Å²	139.7	74%	0.744	83%	0.827	S	S	*	*			trans	-75.3	121	170.4	0	0	0	0	0	110.1	L14	L14-A16 PolarHBondContact O-N 3.44Å
17	L	32.2	Very low	30.9	Very low	160 Å²	160	139.2 Å²	139.2	84%	0.838	82%	0.823	S	S	*	*			trans	-92	98.5	165.4	-134.7	87	0	0	0	106.8	L19	L17-L19 PolarHBondContact O-N 3.1Å
18	C	28.3	Very low	31	Very low	115 Å²	115	131.5 Å²	131.5	78%	0.777	81%	0.814	S	S	*	*			trans	-79.5	106	168.4	-90.6	0	0	0	0	108.8	L20	C18-L20 PolarHBondContact O-N 2.97Å
19	L	32	Very low	31.4	Very low	162 Å²	162	132.3 Å²	132.3	85%	0.848	81%	0.814	S	S	*	*			trans	-71.5	106.7	163.9	-81.7	153.6	0	0	0	108.6	L17 G21	L17-L19 PolarHBondContact O-N 3.1Å; L19-G21 PolarHBondContact O-N 3.41Å
20	L	32.6	Very low	32.2	Very low	152 Å²	152	131.5 Å²	131.5	80%	0.796	81%	0.807	S	S	*	*			trans	-75.8	109	164.6	-103.4	90.3	0	0	0	108.8	C18 C22	C18-L20 PolarHBondContact O-N 2.97Å; L20-C22 PolarHBondContact O-N 3.01Å
21	G	29.3	Very low	33.4	Very low	73 Å²	73	130 Å²	130	75%	0.753	81%	0.807	S	S	*	*			trans	-79.4	104.1	158.7	0	0	0	0	0	109.3	L19 L23	L19-G21 PolarHBondContact O-N 3.41Å; G21-L23 PolarHBondContact O-N 2.93Å
22	C	29	Very low	34.8	Very low	114 Å²	114	127.4 Å²	127.4	77%	0.77	79%	0.794	S	S	*	*			trans	-75.5	99.6	165.3	-85.8	0	0	0	0	109	L20 L24	L20-C22 PolarHBondContact O-N 3.01Å; C22-L24 PolarHBondContact O-N 3.44Å
23	L	31.2	Very low	37.2	Very low	166 Å²	166	128 Å²	128	87%	0.869	79%	0.785	S	S	*	*			trans	-71.3	113.8	157.6	-80.1	157.7	0	0	0	107.6	G21 S25	G21-L23 PolarHBondContact O-N 2.93Å; L23-S25 PolarHBondContact O-N 2.66Å
24	L	32.8	Very low	39.3	Very low	157 Å²	157	127.5 Å²	127.5	82%	0.822	77%	0.774	S	S	*	*			trans	-68.4	93.5	167.7	-81.3	150.5	0	0	0	108.8	C22 H26	C22-L24 PolarHBondContact O-N 3.44Å; L24-H26 PolarHBondContact O-N 2.9Å; L24-H26 VanDerWaalsContact O-N 3.15Å
25	S	30.7	Very low	42	Very low	112 Å²	112	121.5 Å²	121.5	78%	0.783	74%	0.742	S	S	*	*			trans	-66.1	105.1	161.6	17.7	0	0	0	0	108.3	L23 A27	L23-S25 PolarHBondContact O-N 2.66Å; S25-A27 VanDerWaalsContact C-N 3.31Å; S25-A27 PolarHBondContact O-N 3.5Å
26	H	33.3	Very low	44.6	Very low	179 Å²	179	117.3 Å²	117.3	83%	0.829	73%	0.731	S	S	*	*			trans	-64.2	98.4	157.9	-79.9	63	0	0	0	106.8	L24 A28	L24-H26 PolarHBondContact O-N 2.9Å; L24-H26 VanDerWaalsContact O-N 3.15Å; H26-A28 VanDerWaalsContact C-N 3.31Å; H26-A28 PolarHBondContact O-N 3.13Å
27	A	32.4	Very low	47.2	Very low	95 Å²	95	113.1 Å²	113.1	79%	0.785	70%	0.696	S	S	*	*			trans	-67.5	96.3	166.5	0	0	0	0	0	107.2	S25 A29	S25-A27 VanDerWaalsContact C-N 3.31Å; S25-A27 PolarHBondContact O-N 3.5Å; A27-A29 PolarHBondContact O-N 3.14Å
28	A	35	Very low	49.7	Very low	95 Å²	95	108 Å²	108	79%	0.785	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-58.2	117.9	157	0	0	0	0	0	106.4	H26 A30	H26-A28 VanDerWaalsContact C-N 3.31Å; H26-A28 PolarHBondContact O-N 3.13Å; A28-A30 PolarHBondContact O-N 3.28Å
29	A	36.8	Very low	52.1	Low	100 Å²	100	106 Å²	106	83%	0.826	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-54.2	125	175.5	0	0	0	0	0	108.7	A27	A27-A29 PolarHBondContact O-N 3.14Å
30	A	47.2	Very low	54.2	Low	82 Å²	82	100 Å²	100	68%	0.678	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-59.4	143.6	173.2	0	0	0	0	0	109.1	A28 S32	A28-A30 PolarHBondContact O-N 3.28Å; A30-S32 PolarHBondContact O-N 2.85Å
31	P	55.4	Low	56	Low	126 Å²	126	96.9 Å²	96.9	82%	0.818	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-57.1	124.9	176	21.8	-30.3	0	0	0	109.2
32	S	58	Low	57.8	Low	79 Å²	79	96.1 Å²	96.1	55%	0.552	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-59	131	175.7	-56.6	0	0	0	0	108.9	A30 I34	A30-S32 PolarHBondContact O-N 2.85Å; S32-I34 PolarHBondContact O-N 2.76Å
33	P	79.6	Confident	59.8	Low	80 Å²	80	95.1 Å²	95.1	52%	0.519	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-62	132.1	178.8	26	-34.3	0	0	0	109.8	L356 G367	P33-L356 HydrophobicContact CG-CD1 3.52Å; P33-G367 VanDerWaalsContact O-CA 3.31Å; P33-G367 WeakPolarHBondContact O-CA 3.36Å
34	I	79.7	Confident	62	Low	122 Å²	122	90.7 Å²	90.7	63%	0.626	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-80.8	128.8	173.5	-61.5	167.4	0	0	0	107.9	S32	S32-I34 PolarHBondContact O-N 2.76Å
35	I	84.3	Confident	64.5	Low	46 Å²	46	86.9 Å²	86.9	24%	0.236	56%	0.563	C	S	.	*			trans	-123.6	159.7	177.9	66.6	157.5	0	0	0	110.7	F37 F355 L356 G367 Y381	I35-F37 HydrophobicContact CD1-CD2 4.39Å; I35-F37 HydrophobicContact CD1-CE1 4.18Å; I35-F37 HydrophobicContact CD1-CE2 3.98Å; I35-F37 HydrophobicContact CD1-CZ 3.86Å; I35-F37 HydrophobicContact CG1-CD2 4.14Å; I35-F37 HydrophobicContact CG1-CE2 3.69Å; I35-F37 HydrophobicContact CG1-CZ 4.03Å; I35-F355 HydrophobicContact CD1-CE2 3.4Å; I35-F355 VanDerWaalsContact CD1-CE2 3.4Å; I35-F355 HydrophobicContact CD1-CZ 3.48Å; I35-F355 VanDerWaalsContact CD1-CZ 3.48Å; I35-F355 HydrophobicContact CG1-CE2 4.42Å; I35-F355 HydrophobicContact CG1-CZ 4.02Å; I35-L356 HydrophobicContact CG2-CD1 4.38Å; I35-G367 PolarHBondContact N-O 3.11Å; I35-Y381 HydrophobicContact CD1-CE1 4.16Å
36	K	85.1	Confident	67.2	Low	159 Å²	159	85 Å²	85	69%	0.691	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-92.4	119.8	169.2	-172.3	178	-178.9	-179	0	109.3
37	F	85.8	Confident	69.6	Low	2 Å²	2	82.5 Å²	82.5	1%	0.009	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-77.9	144	175.2	-74.1	-96.1	0	0	0	111.1	I35 G39 D40 F355 R368 W374 Y381 W387	I35-F37 HydrophobicContact CD1-CD2 4.39Å; I35-F37 HydrophobicContact CD1-CE1 4.18Å; I35-F37 HydrophobicContact CD1-CE2 3.98Å; I35-F37 HydrophobicContact CD1-CZ 3.86Å; I35-F37 HydrophobicContact CG1-CD2 4.14Å; I35-F37 HydrophobicContact CG1-CE2 3.69Å; I35-F37 HydrophobicContact CG1-CZ 4.03Å; F37-G39 PolarHBondContact O-N 3.45Å; F37-D40 HydrophobicContact CB-CB 3.86Å; F37-D40 VanDerWaalsContact O-CB 3.31Å; F37-D40 WeakPolarHBondContact O-CB 3.48Å; F37-D40 PolarHBondContact O-N 3.4Å; F37-F355 HydrophobicContact CZ-CE2 4.37Å; F37-F355 HydrophobicContact CZ-CZ 4.16Å; F37-R368 HydrophobicContact CD2-CG 4.22Å; F37-R368 HydrophobicContact CE2-CG 3.57Å; F37-R368 HydrophobicContact CZ-CG 4.26Å; F37-W374 AromaticContact CE1-CD2 3.69Å; F37-W374 HydrophobicContact CE1-CD2 3.69Å; F37-W374 AromaticContact CE1-CE2 3.47Å; F37-W374 VanDerWaalsContact CE1-CE2 3.47Å; F37-W374 AromaticContact CE1-CE3 3.86Å; F37-W374 HydrophobicContact CE1-CE3 3.86Å; F37-W374 HydrophobicContact CE1-CG 4.43Å; F37-W374 AromaticContact CE1-CH2 3.68Å; F37-W374 HydrophobicContact CE1-CH2 3.68Å; F37-W374 AromaticContact CE1-CZ2 3.48Å; F37-W374 HydrophobicContact CE1-CZ2 3.48Å; F37-W374 VanDerWaalsContact CE1-CZ2 3.48Å; F37-W374 AromaticContact CE1-CZ3 3.86Å; F37-W374 HydrophobicContact CE1-CZ3 3.86Å; F37-W374 AromaticContact CZ-CD2 3.91Å; F37-W374 HydrophobicContact CZ-CD2 3.91Å; F37-W374 AromaticContact CZ-CE2 3.31Å; F37-W374 HydrophobicContact CZ-CG 4.4Å; F37-W374 HydrophobicContact CZ-CH2 4.16Å; F37-W374 AromaticContact CZ-CZ2 3.47Å; F37-W374 HydrophobicContact CZ-CZ2 3.47Å; F37-W374 VanDerWaalsContact CZ-CZ2 3.47Å; F37-W374 AromaticContact CZ-NE1 3.42Å; F37-Y381 AromaticContact CD1-CE2 3.95Å; F37-Y381 HydrophobicContact CD1-CE2 3.95Å; F37-Y381 AromaticContact CD1-CZ 3.69Å; F37-Y381 WeakPolarHBondContact CD1-OH 3.25Å; F37-Y381 HydrophobicContact CE1-CE1 4.4Å; F37-Y381 AromaticContact CE1-CE2 4Å; F37-Y381 HydrophobicContact CE1-CE2 4Å; F37-Y381 AromaticContact CE1-CZ 3.73Å; F37-W387 HydrophobicContact CB-CD2 4.23Å; F37-W387 VanDerWaalsContact CB-CE2 3.47Å; F37-W387 HydrophobicContact CB-CH2 3.97Å; F37-W387 HydrophobicContact CB-CZ2 3.34Å; F37-W387 AromaticContact CD1-CD2 3.55Å; F37-W387 HydrophobicContact CD1-CD2 3.55Å; F37-W387 AromaticContact CD1-CE2 3.7Å; F37-W387 AromaticContact CD1-CE3 3.92Å; F37-W387 HydrophobicContact CD1-CE3 3.92Å; F37-W387 AromaticContact CD1-CG 3.86Å; F37-W387 HydrophobicContact CD1-CG 3.86Å; F37-W387 HydrophobicContact CD1-CZ2 4.2Å; F37-W387 HydrophobicContact CD1-CZ3 4.38Å; F37-W387 HydrophobicContact CE1-CD2 4.3Å; F37-W387 HydrophobicContact CE1-CE3 4.39Å; F37-W387 HydrophobicContact CG-CD2 4.16Å; F37-W387 AromaticContact CG-CE2 3.91Å; F37-W387 HydrophobicContact CG-CE3 4.43Å; F37-W387 HydrophobicContact CG-CH2 4.22Å; F37-W387 AromaticContact CG-CZ2 3.96Å; F37-W387 HydrophobicContact CG-CZ2 3.96Å; F37-W387 HydrophobicContact CG-CZ3 4.46Å
38	P	86.2	Confident	72.2	Confident	51 Å²	51	83.1 Å²	83.1	33%	0.331	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	133.3	175.7	-14.7	26.2	0	0	0	111.1	D40 Y381 R385 W387	P38-D40 PolarHBondContact O-N 2.71Å; P38-Y381 VanDerWaalsContact CD-OH 3.27Å; P38-Y381 WeakPolarHBondContact CD-OH 3.49Å; P38-R385 HydrophobicContact CG-CB 4.14Å; P38-W387 PolarHBondContact O-NE1 3.2Å
39	G	78	Confident	74.7	Confident	75 Å²	75	80 Å²	80	77%	0.773	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-5.2	-177.2	0	0	0	0	0	114.5	F37	F37-G39 PolarHBondContact O-N 3.45Å
40	D	76.6	Confident	77.2	Confident	35 Å²	35	75.2 Å²	75.2	19%	0.187	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-81.9	138.3	-179.1	-156.3	11.9	0	0	0	111.9	F37 P38 A42 R368 W387	F37-D40 HydrophobicContact CB-CB 3.86Å; F37-D40 VanDerWaalsContact O-CB 3.31Å; F37-D40 WeakPolarHBondContact O-CB 3.48Å; F37-D40 PolarHBondContact O-N 3.4Å; P38-D40 PolarHBondContact O-N 2.71Å; D40-A42 PolarHBondContact O-N 2.95Å; D40-R368 IonicContact OD1-NH2 3.78Å; D40-R368 IonicContact OD2-CZ 2.68Å; D40-R368 IonicContact OD2-NH1 3.33Å; D40-R368 PolarHBondContact OD2-NH1 3.16Å; D40-R368 IonicContact OD2-NH2 2.7Å; D40-R368 PolarHBondContact OD2-NH2 2.89Å; D40-W387 HydrophobicContact CB-CH2 4.39Å; D40-W387 HydrophobicContact CB-CZ2 4Å
41	V	69.6	Low	79.1	Confident	86 Å²	86	73.5 Å²	73.5	52%	0.521	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-71.3	128.5	174.3	-171.8	0	0	0	0	107.4	W176	V41-W176 HydrophobicContact CG2-CH2 4.17Å
42	A	67.1	Low	80.7	Confident	58 Å²	58	70.9 Å²	70.9	48%	0.479	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-59.3	132.1	-178.6	0	0	0	0	0	109.9	D40 K44	D40-A42 PolarHBondContact O-N 2.95Å; A42-K44 PolarHBondContact O-N 3.15Å
43	P	71.7	Confident	82.3	Confident	92 Å²	92	67.7 Å²	67.7	60%	0.597	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-60.7	126.6	179.6	21.7	-30.3	0	0	0	109.5
44	K	77.9	Confident	82.8	Confident	74 Å²	74	63.9 Å²	63.9	32%	0.322	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-69	138.1	177.1	-65.3	173.5	-171.6	156.2	0	109.4	A42 E48 L49	A42-K44 PolarHBondContact O-N 3.15Å; K44-E48 HydrophobicContact CB-CB 4.18Å; K44-L49 HydrophobicContact CB-CB 4.49Å
45	T	84.6	Confident	83.2	Confident	77 Å²	77	59.9 Å²	59.9	47%	0.472	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-62.6	156.7	168.9	63.2	0	0	0	0	110.1	K47 E48 L49	T45-K47 PolarHBondContact O-N 3.2Å; T45-K47 VanDerWaalsContact O-N 3.11Å; T45-E48 WeakPolarHBondContact CB-OE2 3.37Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.39Å; T45-E48 PolarHBondContact N-OE2 2.81Å; T45-E48 PolarHBondContact O-N 3.33Å; T45-E48 WeakPolarHBondContact OG1-CB 3.36Å; T45-E48 WeakPolarHBondContact OG1-CG 3.49Å; T45-E48 PolarHBondContact OG1-N 3.43Å; T45-E48 PolarHBondContact OG1-OE2 2.91Å; T45-L49 PolarHBondContact O-N 2.82Å
46	D	86.3	Confident	83.5	Confident	72 Å²	72	60.3 Å²	60.3	39%	0.385	34%	0.342	S	S	.	.	H	α-helix	trans	-55.2	-34.7	-180	-62.8	-32.1	0	0	0	112.6	A50 I94 R98	D46-A50 WeakPolarHBondContact O-CB 3.27Å; D46-A50 PolarHBondContact O-N 3.41Å; D46-I94 HydrophobicContact CB-CD1 3.8Å; D46-I94 HydrophobicContact CB-CG1 4.3Å; D46-I94 HydrophobicContact CB-CG2 4.47Å; D46-R98 IonicContact OD1-CZ 2.8Å; D46-R98 IonicContact OD1-NE 3.34Å; D46-R98 IonicContact OD1-NH2 3.28Å; D46-R98 PolarHBondContact OD1-NH2 2.98Å
47	K	84.7	Confident	83.8	Confident	127 Å²	127	53 Å²	53	55%	0.552	31%	0.31	S	S	*	.	H	α-helix	trans	-71.7	-42.9	177.6	-171.8	179	178	-176.3	0	112.3	T45 A50 V51	T45-K47 PolarHBondContact O-N 3.2Å; T45-K47 VanDerWaalsContact O-N 3.11Å; K47-A50 PolarHBondContact O-N 3.11Å; K47-V51 VanDerWaalsContact O-CG2 3.27Å; K47-V51 WeakPolarHBondContact O-CG2 3.18Å; K47-V51 PolarHBondContact O-N 2.64Å
48	E	86.2	Confident	84	Confident	108 Å²	108	53.5 Å²	53.5	51%	0.505	31%	0.312	S	S	.	.	H	α-helix	trans	-64.8	-42.9	176.8	-73.3	161.5	164.1	0	0	111.1	K44 T45 V51 Q52	K44-E48 HydrophobicContact CB-CB 4.18Å; T45-E48 WeakPolarHBondContact CB-OE2 3.37Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.39Å; T45-E48 PolarHBondContact N-OE2 2.81Å; T45-E48 PolarHBondContact O-N 3.33Å; T45-E48 WeakPolarHBondContact OG1-CB 3.36Å; T45-E48 WeakPolarHBondContact OG1-CG 3.49Å; T45-E48 PolarHBondContact OG1-N 3.43Å; T45-E48 PolarHBondContact OG1-OE2 2.91Å; E48-V51 PolarHBondContact O-N 3Å; E48-Q52 WeakPolarHBondContact O-CB 3.49Å; E48-Q52 PolarHBondContact O-N 3.03Å
49	L	88.7	Confident	83.8	Confident	28 Å²	28	52.9 Å²	52.9	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-55.8	-53.2	172.8	173.8	65.8	0	0	0	110.6	K44 T45 V51 Q52 Y53 M97 R98	K44-L49 HydrophobicContact CB-CB 4.49Å; T45-L49 PolarHBondContact O-N 2.82Å; L49-V51 VanDerWaalsContact C-N 3.35Å; L49-V51 PolarHBondContact O-N 2.86Å; L49-Q52 PolarHBondContact O-N 2.03Å; L49-Y53 VanDerWaalsContact O-CB 3.28Å; L49-Y53 WeakPolarHBondContact O-CB 3.44Å; L49-Y53 PolarHBondContact O-N 3.4Å; L49-M97 HydrophobicContact CD2-CB 4.31Å; L49-R98 HydrophobicContact CD2-CG 3.42Å; L49-R98 VanDerWaalsContact CD2-CG 3.42Å
50	A	89.1	Confident	83.7	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-41.4	-178.4	0	0	0	0	0	112.9	D46 K47 Y53 L54 L89 M97	D46-A50 WeakPolarHBondContact O-CB 3.27Å; D46-A50 PolarHBondContact O-N 3.41Å; K47-A50 PolarHBondContact O-N 3.11Å; A50-Y53 PolarHBondContact O-N 3.38Å; A50-L54 WeakPolarHBondContact O-CB 3.5Å; A50-L54 WeakPolarHBondContact O-CG 3.38Å; A50-L54 PolarHBondContact O-N 3.31Å; A50-L89 HydrophobicContact CB-CD1 3.75Å; A50-L89 HydrophobicContact CB-CD2 3.47Å; A50-L89 VanDerWaalsContact CB-CD2 3.47Å; A50-L89 HydrophobicContact CB-CG 4.26Å; A50-M97 HydrophobicContact CB-SD 3.96Å
51	V	87.3	Confident	83.4	Confident	46 Å²	46	51.1 Å²	51.1	28%	0.279	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-44.3	177.6	169.4	0	0	0	0	110.8	K47 E48 L49 N55 L70	K47-V51 VanDerWaalsContact O-CG2 3.27Å; K47-V51 WeakPolarHBondContact O-CG2 3.18Å; K47-V51 PolarHBondContact O-N 2.64Å; E48-V51 PolarHBondContact O-N 3Å; L49-V51 VanDerWaalsContact C-N 3.35Å; L49-V51 PolarHBondContact O-N 2.86Å; V51-N55 VanDerWaalsContact O-CB 3.25Å; V51-N55 WeakPolarHBondContact O-CB 3.46Å; V51-N55 PolarHBondContact O-N 3.23Å; V51-L70 HydrophobicContact CG2-CD1 4.25Å
52	Q	88.3	Confident	83.3	Confident	70 Å²	70	55.5 Å²	55.5	33%	0.327	30%	0.304	S	S	.	.	H	α-helix	trans	-64.8	-47.7	176.7	-174.6	177.5	-10.8	0	0	111.3	E48 L49 L54 N55 T56	E48-Q52 WeakPolarHBondContact O-CB 3.49Å; E48-Q52 PolarHBondContact O-N 3.03Å; L49-Q52 PolarHBondContact O-N 2.03Å; Q52-L54 PolarHBondContact O-N 3.32Å; Q52-N55 WeakPolarHBondContact O-CB 3.18Å; Q52-N55 PolarHBondContact O-N 2.97Å; Q52-N55 VanDerWaalsContact O-N 3.12Å; Q52-T56 PolarHBondContact O-N 2.6Å; Q52-T56 PolarHBondContact O-OG1 3.34Å
53	Y	91.9	Very high	83.2	Confident	12 Å²	12	62.3 Å²	62.3	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-56.4	-48.8	179.6	-167	-79.6	0	0	0	111.7	L49 A50 N55 T56 F57 Y58 M77 F81 M97 R101	L49-Y53 VanDerWaalsContact O-CB 3.28Å; L49-Y53 WeakPolarHBondContact O-CB 3.44Å; L49-Y53 PolarHBondContact O-N 3.4Å; A50-Y53 PolarHBondContact O-N 3.38Å; Y53-N55 VanDerWaalsContact C-N 3.32Å; Y53-N55 PolarHBondContact O-N 2.95Å; Y53-T56 PolarHBondContact O-N 3.12Å; Y53-F57 AromaticContact CD1-CD2 3.66Å; Y53-F57 HydrophobicContact CD1-CD2 3.66Å; Y53-F57 HydrophobicContact CD1-CE2 4.23Å; Y53-F57 AromaticContact CD2-CD2 3.9Å; Y53-F57 HydrophobicContact CD2-CD2 3.9Å; Y53-F57 AromaticContact CD2-CE2 3.59Å; Y53-F57 HydrophobicContact CD2-CE2 3.59Å; Y53-F57 AromaticContact CE1-CD2 3.65Å; Y53-F57 HydrophobicContact CE1-CD2 3.65Å; Y53-F57 HydrophobicContact CE1-CE2 4.23Å; Y53-F57 AromaticContact CE2-CD2 3.89Å; Y53-F57 HydrophobicContact CE2-CD2 3.89Å; Y53-F57 AromaticContact CE2-CE2 3.6Å; Y53-F57 HydrophobicContact CE2-CE2 3.6Å; Y53-F57 AromaticContact CG-CD2 3.78Å; Y53-F57 HydrophobicContact CG-CD2 3.78Å; Y53-F57 AromaticContact CG-CE2 3.9Å; Y53-F57 HydrophobicContact CG-CE2 3.9Å; Y53-F57 AromaticContact CZ-CD2 3.76Å; Y53-F57 AromaticContact CZ-CE2 3.93Å; Y53-F57 WeakPolarHBondContact O-CD2 3.35Å; Y53-F57 PolarHBondContact O-N 3.26Å; Y53-Y58 HydrophobicContact CD1-CE2 4.43Å; Y53-Y58 AromaticContact CE1-CE2 3.97Å; Y53-Y58 HydrophobicContact CE1-CE2 3.97Å; Y53-M77 HydrophobicContact CD1-CG 4.49Å; Y53-M77 HydrophobicContact CE1-CE 3.87Å; Y53-M77 HydrophobicContact CE1-CG 3.98Å; Y53-F81 WeakPolarHBondContact OH-CZ 3.45Å; Y53-M97 HydrophobicContact CD1-CE 3.93Å; Y53-M97 HydrophobicContact CD1-CG 3.88Å; Y53-M97 HydrophobicContact CD1-SD 4.22Å; Y53-M97 HydrophobicContact CD2-CB 3.77Å; Y53-M97 HydrophobicContact CD2-CG 3.87Å; Y53-M97 HydrophobicContact CE1-CE 4.47Å; Y53-M97 HydrophobicContact CE1-CG 4.05Å; Y53-M97 HydrophobicContact CE2-CB 3.97Å; Y53-M97 HydrophobicContact CE2-CG 4.05Å; Y53-M97 WeakPolarHBondContact CE2-O 3.28Å; Y53-M97 HydrophobicContact CG-CB 4.16Å; Y53-M97 HydrophobicContact CG-CE 4.41Å; Y53-M97 HydrophobicContact CG-CG 3.79Å; Y53-M97 HydrophobicContact CG-SD 4.11Å; Y53-R101 WeakPolarHBondContact OH-CD 3.39Å; Y53-R101 PolarHBondContact OH-NE 3.46Å
54	L	90.7	Very high	82.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-71.7	-27	179.2	-64	176.1	0	0	0	112.8	A50 Q52 Y58 G59 C60 L70 T73 L74 M77 M97	A50-L54 WeakPolarHBondContact O-CB 3.5Å; A50-L54 WeakPolarHBondContact O-CG 3.38Å; A50-L54 PolarHBondContact O-N 3.31Å; Q52-L54 PolarHBondContact O-N 3.32Å; L54-Y58 HydrophobicContact CD2-CD2 3.85Å; L54-Y58 HydrophobicContact CD2-CG 4.1Å; L54-Y58 CarbonylContact O-C 3.57Å; L54-Y58 VanDerWaalsContact O-C 3.28Å; L54-Y58 WeakPolarHBondContact O-CA 3.24Å; L54-Y58 WeakPolarHBondContact O-CB 3.3Å; L54-Y58 PolarHBondContact O-N 3.3Å; L54-Y58 VanDerWaalsContact O-N 3.16Å; L54-G59 PolarHBondContact O-N 3.23Å; L54-G59 VanDerWaalsContact O-N 3.11Å; L54-C60 HydrophobicContact CB-CB 4.24Å; L54-C60 PolarHBondContact O-N 2.77Å; L54-L70 HydrophobicContact CD1-CD1 3.49Å; L54-L70 VanDerWaalsContact CD1-CD1 3.49Å; L54-L70 HydrophobicContact CD1-CG 4.36Å; L54-T73 HydrophobicContact CB-CG2 4.21Å; L54-T73 HydrophobicContact CD2-CG2 4.1Å; L54-L74 HydrophobicContact CD1-CB 4.24Å; L54-L74 HydrophobicContact CD1-CD1 3.93Å; L54-L74 HydrophobicContact CD2-CD1 4.33Å; L54-M77 HydrophobicContact CD2-CB 3.84Å; L54-M77 HydrophobicContact CD2-CG 4.28Å; L54-M97 HydrophobicContact CD2-CE 4.02Å; L54-M97 HydrophobicContact CG-CE 4.22Å
55	N	88.3	Confident	82	Confident	39 Å²	39	58 Å²	58	21%	0.209	31%	0.307	C	S	.	.	H	α-helix	trans	-67.4	-50.6	171.5	178	-100.3	0	0	0	110.9	V51 Q52 Y53 G59 C60 K62	V51-N55 VanDerWaalsContact O-CB 3.25Å; V51-N55 WeakPolarHBondContact O-CB 3.46Å; V51-N55 PolarHBondContact O-N 3.23Å; Q52-N55 WeakPolarHBondContact O-CB 3.18Å; Q52-N55 PolarHBondContact O-N 2.97Å; Q52-N55 VanDerWaalsContact O-N 3.12Å; Y53-N55 VanDerWaalsContact C-N 3.32Å; Y53-N55 PolarHBondContact O-N 2.95Å; N55-G59 WeakPolarHBondContact O-CA 3.37Å; N55-G59 PolarHBondContact O-N 2.83Å; N55-C60 WeakPolarHBondContact CA-O 3.4Å; N55-C60 WeakPolarHBondContact CB-O 3.47Å; N55-C60 PolarHBondContact ND2-O 3.31Å; N55-K62 WeakPolarHBondContact ND2-CG 3.32Å; N55-K62 PolarHBondContact ND2-N 2.78Å
56	T	89.5	Confident	81.1	Confident	54 Å²	54	58.8 Å²	58.8	33%	0.331	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-49.5	-176.1	-53	0	0	0	0	111.6	Q52 Y53	Q52-T56 PolarHBondContact O-N 2.6Å; Q52-T56 PolarHBondContact O-OG1 3.34Å; Y53-T56 PolarHBondContact O-N 3.12Å
57	F	92.3	Very high	80	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.022	33%	0.325	C	S	.	.	H	α-helix	trans	-104.5	-17.4	-167.9	-47	-57.8	0	0	0	115.2	Y53 R101 N104 D106 V107 L190	Y53-F57 AromaticContact CD1-CD2 3.66Å; Y53-F57 HydrophobicContact CD1-CD2 3.66Å; Y53-F57 HydrophobicContact CD1-CE2 4.23Å; Y53-F57 AromaticContact CD2-CD2 3.9Å; Y53-F57 HydrophobicContact CD2-CD2 3.9Å; Y53-F57 AromaticContact CD2-CE2 3.59Å; Y53-F57 HydrophobicContact CD2-CE2 3.59Å; Y53-F57 AromaticContact CE1-CD2 3.65Å; Y53-F57 HydrophobicContact CE1-CD2 3.65Å; Y53-F57 HydrophobicContact CE1-CE2 4.23Å; Y53-F57 AromaticContact CE2-CD2 3.89Å; Y53-F57 HydrophobicContact CE2-CD2 3.89Å; Y53-F57 AromaticContact CE2-CE2 3.6Å; Y53-F57 HydrophobicContact CE2-CE2 3.6Å; Y53-F57 AromaticContact CG-CD2 3.78Å; Y53-F57 HydrophobicContact CG-CD2 3.78Å; Y53-F57 AromaticContact CG-CE2 3.9Å; Y53-F57 HydrophobicContact CG-CE2 3.9Å; Y53-F57 AromaticContact CZ-CD2 3.76Å; Y53-F57 AromaticContact CZ-CE2 3.93Å; Y53-F57 WeakPolarHBondContact O-CD2 3.35Å; Y53-F57 PolarHBondContact O-N 3.26Å; F57-R101 HydrophobicContact CZ-CG 4.2Å; F57-N104 WeakPolarHBondContact CD1-O 2.89Å; F57-D106 PolarHBondContact O-N 2.83Å; F57-D106 VanDerWaalsContact O-N 3.07Å; F57-V107 PolarHBondContact O-N 2.81Å; F57-L190 HydrophobicContact CE1-CD2 3.94Å; F57-L190 HydrophobicContact CE2-CD2 4.43Å; F57-L190 HydrophobicContact CZ-CD2 3.36Å
58	Y	89.6	Confident	79.1	Confident	14 Å²	14	63.5 Å²	63.5	6%	0.055	33%	0.331	C	S	.	.	H	α-helix	trans	-119.1	1	-177	-66.9	-95.8	0	0	0	113.5	Y53 L54 C60 T73 K76 M77 F80 D106 V107	Y53-Y58 HydrophobicContact CD1-CE2 4.43Å; Y53-Y58 AromaticContact CE1-CE2 3.97Å; Y53-Y58 HydrophobicContact CE1-CE2 3.97Å; L54-Y58 HydrophobicContact CD2-CD2 3.85Å; L54-Y58 HydrophobicContact CD2-CG 4.1Å; L54-Y58 CarbonylContact O-C 3.57Å; L54-Y58 VanDerWaalsContact O-C 3.28Å; L54-Y58 WeakPolarHBondContact O-CA 3.24Å; L54-Y58 WeakPolarHBondContact O-CB 3.3Å; L54-Y58 PolarHBondContact O-N 3.3Å; L54-Y58 VanDerWaalsContact O-N 3.16Å; Y58-C60 VanDerWaalsContact C-N 3.33Å; Y58-C60 PolarHBondContact O-N 3.26Å; Y58-T73 VanDerWaalsContact CB-CG2 3.4Å; Y58-T73 HydrophobicContact CG-CG2 4.22Å; Y58-K76 HydrophobicContact CD1-CB 4.12Å; Y58-K76 HydrophobicContact CE1-CB 4.24Å; Y58-M77 HydrophobicContact CD1-CB 4.3Å; Y58-M77 HydrophobicContact CD2-CB 4.2Å; Y58-M77 HydrophobicContact CD2-CG 4.41Å; Y58-M77 VanDerWaalsContact CE1-CA 3.45Å; Y58-M77 HydrophobicContact CE1-CB 3.78Å; Y58-M77 HydrophobicContact CE1-CG 4.48Å; Y58-M77 HydrophobicContact CE2-CB 3.72Å; Y58-M77 HydrophobicContact CE2-CG 3.65Å; Y58-M77 VanDerWaalsContact CZ-CA 3.43Å; Y58-M77 VanDerWaalsContact CZ-CB 3.48Å; Y58-M77 WeakPolarHBondContact OH-CA 3.48Å; Y58-F80 WeakPolarHBondContact OH-CB 3.15Å; Y58-D106 HydrophobicContact CE1-CB 4.07Å; Y58-D106 HydrophobicContact CE2-CB 4.01Å; Y58-D106 VanDerWaalsContact CE2-OD2 3.28Å; Y58-D106 WeakPolarHBondContact CE2-OD2 3.23Å; Y58-D106 VanDerWaalsContact CZ-OD2 3.25Å; Y58-D106 WeakPolarHBondContact OH-CB 3.31Å; Y58-D106 PolarHBondContact OH-OD2 3.15Å; Y58-V107 HydrophobicContact CD1-CG1 3.66Å; Y58-V107 HydrophobicContact CD1-CG2 4.28Å; Y58-V107 HydrophobicContact CE1-CG1 3.8Å
59	G	82.1	Confident	78.4	Confident	38 Å²	38	60.7 Å²	60.7	39%	0.392	32%	0.322	S	S	.	.			trans	69.9	22	174.5	0	0	0	0	0	114.7	L54 N55 P61	L54-G59 PolarHBondContact O-N 3.23Å; L54-G59 VanDerWaalsContact O-N 3.11Å; N55-G59 WeakPolarHBondContact O-CA 3.37Å; N55-G59 PolarHBondContact O-N 2.83Å; G59-P61 WeakPolarHBondContact O-CD 3.41Å
60	C	76.4	Confident	77.6	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.02	32%	0.319	C	S	.	.			trans	-69	107.6	176.1	-159.2	0	0	0	0	109.9	L54 N55 Y58 K62 C65 T73	L54-C60 HydrophobicContact CB-CB 4.24Å; L54-C60 PolarHBondContact O-N 2.77Å; N55-C60 WeakPolarHBondContact CA-O 3.4Å; N55-C60 WeakPolarHBondContact CB-O 3.47Å; N55-C60 PolarHBondContact ND2-O 3.31Å; Y58-C60 VanDerWaalsContact C-N 3.33Å; Y58-C60 PolarHBondContact O-N 3.26Å; C60-K62 PolarHBondContact O-N 3.17Å; C60-C65 HydrophobicContact CB-CB 4.18Å; C60-C65 WeakPolarHBondContact CB-SG 3.4Å; C60-C65 WeakPolarHBondContact SG-CA 3.03Å; C60-C65 WeakPolarHBondContact SG-CB 3.3Å; C60-C65 CovalentContact SG-SG 2.05Å; C60-C65 PolarHBondContact SG-SG 2.9Å; C60-T73 HydrophobicContact CB-CG2 4.34Å
61	P	69.9	Low	77.4	Confident	70 Å²	70	63.7 Å²	63.7	46%	0.455	33%	0.334	S	S	.	.			trans	-64.8	138.8	-171.4	-16.6	28.9	0	0	0	111.7	G59 E63 S64 C65	G59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-E63 PolarHBondContact O-N 3.01Å; P61-S64 WeakPolarHBondContact CB-OG 3.36Å; P61-S64 VanDerWaalsContact CD-OG 3.26Å; P61-S64 WeakPolarHBondContact CD-OG 2.96Å; P61-S64 VanDerWaalsContact CG-OG 3.28Å; P61-S64 WeakPolarHBondContact CG-OG 3.13Å; P61-S64 PolarHBondContact O-N 2.87Å; P61-S64 PolarHBondContact O-OG 3.13Å; P61-C65 PolarHBondContact O-N 2.71Å; P61-C65 VanDerWaalsContact O-N 3.11Å
62	K	65.8	Low	77.2	Confident	178 Å²	178	65 Å²	65	77%	0.774	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-33.5	-174.6	-64.4	-174.8	179.5	174.5	0	113.5	N55 C60	N55-K62 WeakPolarHBondContact ND2-CG 3.32Å; N55-K62 PolarHBondContact ND2-N 2.78Å; C60-K62 PolarHBondContact O-N 3.17Å
63	E	66.1	Low	77.1	Confident	201 Å²	201	62.2 Å²	62.2	94%	0.939	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-17.8	-178.4	-57.8	-170.9	172.9	0	0	114.4	P61	P61-E63 PolarHBondContact O-N 3.01Å
64	S	62.4	Low	77.1	Confident	51 Å²	51	61.7 Å²	61.7	36%	0.357	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	1.7	-169	67.7	0	0	0	0	114.9	P61 N66	P61-S64 WeakPolarHBondContact CB-OG 3.36Å; P61-S64 VanDerWaalsContact CD-OG 3.26Å; P61-S64 WeakPolarHBondContact CD-OG 2.96Å; P61-S64 VanDerWaalsContact CG-OG 3.28Å; P61-S64 WeakPolarHBondContact CG-OG 3.13Å; P61-S64 PolarHBondContact O-N 2.87Å; P61-S64 PolarHBondContact O-OG 3.13Å; S64-N66 PolarHBondContact O-N 2.73Å
65	C	62.3	Low	77.1	Confident	25 Å²	25	64.9 Å²	64.9	17%	0.169	34%	0.339	C	S	.	.			trans	-72.4	63	173.3	-138.5	0	0	0	0	111.4	C60 P61	C60-C65 HydrophobicContact CB-CB 4.18Å; C60-C65 WeakPolarHBondContact CB-SG 3.4Å; C60-C65 WeakPolarHBondContact SG-CA 3.03Å; C60-C65 WeakPolarHBondContact SG-CB 3.3Å; C60-C65 CovalentContact SG-SG 2.05Å; C60-C65 PolarHBondContact SG-SG 2.9Å; P61-C65 PolarHBondContact O-N 2.71Å; P61-C65 VanDerWaalsContact O-N 3.11Å
66	N	65.7	Low	77.3	Confident	92 Å²	92	69.1 Å²	69.1	49%	0.492	36%	0.356	S	S	.	.			trans	-73.8	169.6	172	71.9	26.4	0	0	0	110.6	S64 F68 V69 L70	S64-N66 PolarHBondContact O-N 2.73Å; N66-F68 PolarHBondContact O-N 2.94Å; N66-F68 PolarHBondContact OD1-N 2.82Å; N66-F68 VanDerWaalsContact OD1-N 3.1Å; N66-V69 PolarHBondContact O-N 3.35Å; N66-V69 WeakPolarHBondContact OD1-CG2 3.47Å; N66-V69 PolarHBondContact OD1-N 3.35Å; N66-L70 VanDerWaalsContact O-CB 3.24Å; N66-L70 WeakPolarHBondContact O-CB 3.28Å; N66-L70 PolarHBondContact O-N 2.93Å
67	L	63.1	Low	77.5	Confident	143 Å²	143	66.5 Å²	66.5	75%	0.749	34%	0.34	S	S	*	.	H	α-helix	trans	-55	-30	-174.9	-139.4	91.1	0	0	0	113.8	K71	L67-K71 PolarHBondContact O-N 2.86Å
68	F	64.4	Low	77.6	Confident	155 Å²	155	66.3 Å²	66.3	68%	0.68	34%	0.339	S	S	*	.	H	α-helix	trans	-80.6	-47	-178.7	-170.6	-92.9	0	0	0	111.9	N66 L70 K71 D72	N66-F68 PolarHBondContact O-N 2.94Å; N66-F68 PolarHBondContact OD1-N 2.82Å; N66-F68 VanDerWaalsContact OD1-N 3.1Å; F68-L70 VanDerWaalsContact C-N 3.29Å; F68-L70 PolarHBondContact O-N 2.95Å; F68-K71 PolarHBondContact O-N 2.86Å; F68-D72 PolarHBondContact O-N 2.88Å
69	V	71.5	Confident	77.7	Confident	50 Å²	50	71.7 Å²	71.7	30%	0.303	36%	0.362	S	S	.	.	H	α-helix	trans	-64.9	-36.2	175.1	178.6	0	0	0	0	110.9	N66 K71 T73	N66-V69 PolarHBondContact O-N 3.35Å; N66-V69 WeakPolarHBondContact OD1-CG2 3.47Å; N66-V69 PolarHBondContact OD1-N 3.35Å; V69-K71 VanDerWaalsContact C-N 3.34Å; V69-K71 PolarHBondContact O-N 2.87Å; V69-T73 WeakPolarHBondContact O-CB 3.46Å; V69-T73 PolarHBondContact O-N 2.8Å; V69-T73 PolarHBondContact O-OG1 3.42Å
70	L	73.5	Confident	78.2	Confident	18 Å²	18	70.6 Å²	70.6	9%	0.094	35%	0.347	C	S	.	.	H	α-helix	trans	-59.5	-45.6	173.6	-170.7	74.4	0	0	0	110.7	V51 L54 N66 F68 D72 T73 L74	V51-L70 HydrophobicContact CG2-CD1 4.25Å; L54-L70 HydrophobicContact CD1-CD1 3.49Å; L54-L70 VanDerWaalsContact CD1-CD1 3.49Å; L54-L70 HydrophobicContact CD1-CG 4.36Å; N66-L70 VanDerWaalsContact O-CB 3.24Å; N66-L70 WeakPolarHBondContact O-CB 3.28Å; N66-L70 PolarHBondContact O-N 2.93Å; F68-L70 VanDerWaalsContact C-N 3.29Å; F68-L70 PolarHBondContact O-N 2.95Å; L70-D72 PolarHBondContact O-N 2.88Å; L70-T73 PolarHBondContact O-N 3.1Å; L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 PolarHBondContact O-N 3.19Å
71	K	83.3	Confident	78.9	Confident	74 Å²	74	72.6 Å²	72.6	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-61.7	-45.3	-178.2	-173.8	153.9	-166.9	140.3	0	112.6	L67 F68 V69 K75 T86 G87 D88	L67-K71 PolarHBondContact O-N 2.86Å; F68-K71 PolarHBondContact O-N 2.86Å; V69-K71 VanDerWaalsContact C-N 3.34Å; V69-K71 PolarHBondContact O-N 2.87Å; K71-K75 WeakPolarHBondContact O-CG 3.47Å; K71-K75 PolarHBondContact O-N 2.73Å; K71-K75 VanDerWaalsContact O-N 3.13Å; K71-T86 WeakPolarHBondContact CE-O 3.22Å; K71-T86 PolarHBondContact NZ-O 3.35Å; K71-G87 WeakPolarHBondContact CG-O 3.45Å; K71-D88 IonicContact NZ-OD1 2.73Å; K71-D88 PolarHBondContact NZ-OD1 2.92Å; K71-D88 IonicContact NZ-OD2 2.88Å
72	D	84	Confident	79.8	Confident	72 Å²	72	72.3 Å²	72.3	39%	0.385	37%	0.365	S	S	.	.	H	α-helix	trans	-73.7	-35.7	-179.5	-73.7	-22.9	0	0	0	112.7	F68 L70 K75 K76	F68-D72 PolarHBondContact O-N 2.88Å; L70-D72 PolarHBondContact O-N 2.88Å; D72-K75 PolarHBondContact O-N 3.49Å; D72-K75 IonicContact OD1-NZ 3.66Å; D72-K75 PolarHBondContact OD1-NZ 2.79Å; D72-K76 PolarHBondContact O-N 3.31Å
73	T	86.9	Confident	80.9	Confident	12 Å²	12	64.5 Å²	64.5	7%	0.074	33%	0.332	C	S	.	.	H	α-helix	trans	-68.6	-39.5	175	-48.5	0	0	0	0	110.9	L54 Y58 C60 V69 L70 K75 K76 M77	L54-T73 HydrophobicContact CB-CG2 4.21Å; L54-T73 HydrophobicContact CD2-CG2 4.1Å; Y58-T73 VanDerWaalsContact CB-CG2 3.4Å; Y58-T73 HydrophobicContact CG-CG2 4.22Å; C60-T73 HydrophobicContact CB-CG2 4.34Å; V69-T73 WeakPolarHBondContact O-CB 3.46Å; V69-T73 PolarHBondContact O-N 2.8Å; V69-T73 PolarHBondContact O-OG1 3.42Å; L70-T73 PolarHBondContact O-N 3.1Å; T73-K75 VanDerWaalsContact C-N 3.32Å; T73-K75 PolarHBondContact O-N 3Å; T73-K76 WeakPolarHBondContact O-CB 3.33Å; T73-K76 PolarHBondContact O-N 3.42Å; T73-K76 VanDerWaalsContact O-N 3.07Å; T73-M77 PolarHBondContact O-N 3.12Å; T73-M77 VanDerWaalsContact O-N 3.12Å
74	L	90.9	Very high	82	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-37.8	176.5	-165.2	67.8	0	0	0	111.6	L54 L70 K76 M77 Q78 D88 L89 T93 M97	L54-L74 HydrophobicContact CD1-CB 4.24Å; L54-L74 HydrophobicContact CD1-CD1 3.93Å; L54-L74 HydrophobicContact CD2-CD1 4.33Å; L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 PolarHBondContact O-N 3.19Å; L74-K76 VanDerWaalsContact C-N 3.3Å; L74-K76 PolarHBondContact O-N 2.73Å; L74-M77 PolarHBondContact O-N 3.28Å; L74-Q78 WeakPolarHBondContact O-CB 3.26Å; L74-Q78 VanDerWaalsContact O-CG 3.31Å; L74-Q78 WeakPolarHBondContact O-CG 3.46Å; L74-Q78 PolarHBondContact O-N 3.07Å; L74-D88 VanDerWaalsContact CD2-C 3.47Å; L74-D88 WeakPolarHBondContact CD2-O 3.48Å; L74-L89 HydrophobicContact CD1-CD2 3.8Å; L74-L89 HydrophobicContact CD2-CD2 3.74Å; L74-L89 HydrophobicContact CD2-CG 3.94Å; L74-L89 HydrophobicContact CG-CD2 4.48Å; L74-T93 HydrophobicContact CD1-CG2 3.85Å; L74-T93 HydrophobicContact CG-CG2 4.41Å; L74-M97 HydrophobicContact CD1-CE 3.35Å
75	K	91.8	Very high	83.4	Confident	66 Å²	66	61.9 Å²	61.9	29%	0.287	32%	0.321	S	S	.	.	H	α-helix	trans	-61.9	-35.3	172.1	-71.8	171.5	-170.4	162.7	0	113	K71 D72 T73 K79 Q85	K71-K75 WeakPolarHBondContact O-CG 3.47Å; K71-K75 PolarHBondContact O-N 2.73Å; K71-K75 VanDerWaalsContact O-N 3.13Å; D72-K75 PolarHBondContact O-N 3.49Å; D72-K75 IonicContact OD1-NZ 3.66Å; D72-K75 PolarHBondContact OD1-NZ 2.79Å; T73-K75 VanDerWaalsContact C-N 3.32Å; T73-K75 PolarHBondContact O-N 3Å; K75-K79 VanDerWaalsContact O-CB 3.23Å; K75-K79 WeakPolarHBondContact O-CB 3.39Å; K75-K79 PolarHBondContact O-N 3.44Å; K75-Q85 HydrophobicContact CB-CB 4.46Å; K75-Q85 HydrophobicContact CG-CB 4.36Å
76	K	91.8	Very high	84.8	Confident	128 Å²	128	63.1 Å²	63.1	56%	0.557	33%	0.328	S	S	*	.	H	α-helix	trans	-65	-43.7	175.4	-66.6	174.6	177.9	174.9	0	110.8	Y58 D72 T73 L74 K79 F80	Y58-K76 HydrophobicContact CD1-CB 4.12Å; Y58-K76 HydrophobicContact CE1-CB 4.24Å; D72-K76 PolarHBondContact O-N 3.31Å; T73-K76 WeakPolarHBondContact O-CB 3.33Å; T73-K76 PolarHBondContact O-N 3.42Å; T73-K76 VanDerWaalsContact O-N 3.07Å; L74-K76 VanDerWaalsContact C-N 3.3Å; L74-K76 PolarHBondContact O-N 2.73Å; K76-K79 PolarHBondContact O-N 3.38Å; K76-F80 PolarHBondContact O-N 2.79Å
77	M	94.2	Very high	85.9	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-49.8	174.9	-178.4	-83.4	-176.3	0	0	111.6	Y53 L54 Y58 T73 L74 K79 F80 F81 T93 T96 M97	Y53-M77 HydrophobicContact CD1-CG 4.49Å; Y53-M77 HydrophobicContact CE1-CE 3.87Å; Y53-M77 HydrophobicContact CE1-CG 3.98Å; L54-M77 HydrophobicContact CD2-CB 3.84Å; L54-M77 HydrophobicContact CD2-CG 4.28Å; Y58-M77 HydrophobicContact CD1-CB 4.3Å; Y58-M77 HydrophobicContact CD2-CB 4.2Å; Y58-M77 HydrophobicContact CD2-CG 4.41Å; Y58-M77 VanDerWaalsContact CE1-CA 3.45Å; Y58-M77 HydrophobicContact CE1-CB 3.78Å; Y58-M77 HydrophobicContact CE1-CG 4.48Å; Y58-M77 HydrophobicContact CE2-CB 3.72Å; Y58-M77 HydrophobicContact CE2-CG 3.65Å; Y58-M77 VanDerWaalsContact CZ-CA 3.43Å; Y58-M77 VanDerWaalsContact CZ-CB 3.48Å; Y58-M77 WeakPolarHBondContact OH-CA 3.48Å; T73-M77 PolarHBondContact O-N 3.12Å; T73-M77 VanDerWaalsContact O-N 3.12Å; L74-M77 PolarHBondContact O-N 3.28Å; M77-K79 VanDerWaalsContact C-N 3.27Å; M77-K79 PolarHBondContact O-N 3.18Å; M77-F80 WeakPolarHBondContact O-CB 3.48Å; M77-F80 PolarHBondContact O-N 2.78Å; M77-F81 HydrophobicContact CE-CD2 3.51Å; M77-F81 HydrophobicContact CE-CE2 3.69Å; M77-F81 HydrophobicContact CE-CG 4.47Å; M77-F81 HydrophobicContact CG-CD2 3.96Å; M77-F81 HydrophobicContact CG-CE2 4Å; M77-F81 WeakPolarHBondContact O-CD2 3.26Å; M77-F81 PolarHBondContact O-N 2.8Å; M77-F81 VanDerWaalsContact O-N 3.09Å; M77-F81 HydrophobicContact SD-CD2 3.81Å; M77-F81 HydrophobicContact SD-CE2 4.3Å; M77-T93 HydrophobicContact SD-CG2 4.14Å; M77-T96 HydrophobicContact CE-CG2 3.94Å; M77-M97 HydrophobicContact CE-CE 3.78Å; M77-M97 HydrophobicContact CE-CG 3.42Å; M77-M97 VanDerWaalsContact CE-CG 3.42Å; M77-M97 HydrophobicContact CE-SD 4.49Å; M77-M97 HydrophobicContact CG-CE 3.99Å; M77-M97 HydrophobicContact SD-CE 3.73Å
78	Q	94	Very high	87.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-42.5	176.4	-73.7	171.2	-28	0	0	111.6	L74 F80 F81 G82 L83 P84 Q85 T86 D88 T93	L74-Q78 WeakPolarHBondContact O-CB 3.26Å; L74-Q78 VanDerWaalsContact O-CG 3.31Å; L74-Q78 WeakPolarHBondContact O-CG 3.46Å; L74-Q78 PolarHBondContact O-N 3.07Å; Q78-F80 PolarHBondContact O-N 2.87Å; Q78-F81 PolarHBondContact O-N 2.98Å; Q78-G82 PolarHBondContact O-N 2.92Å; Q78-G82 VanDerWaalsContact O-N 3.14Å; Q78-L83 HydrophobicContact CB-CB 3.96Å; Q78-L83 HydrophobicContact CG-CB 4.17Å; Q78-L83 HydrophobicContact CG-CD1 4.44Å; Q78-L83 WeakPolarHBondContact O-CA 3.49Å; Q78-L83 PolarHBondContact O-N 3.3Å; Q78-P84 PolarHBondContact OE1-O 3.32Å; Q78-Q85 HydrophobicContact CB-CG 4.49Å; Q78-T86 PolarHBondContact NE2-OG1 3.43Å; Q78-T86 VanDerWaalsContact OE1-N 3.08Å; Q78-D88 PolarHBondContact NE2-O 2.88Å; Q78-D88 VanDerWaalsContact NE2-O 3.09Å; Q78-T93 HydrophobicContact CG-CG2 4.27Å; Q78-T93 PolarHBondContact NE2-OG1 3.48Å
79	K	92	Very high	88.3	Confident	127 Å²	127	51.7 Å²	51.7	55%	0.552	28%	0.276	S	S	*	.	H	α-helix	trans	-60.7	-44.7	174.8	-178	-177.3	174.5	-172.1	0	112	K75 K76 M77 F81 G82 Q85	K75-K79 VanDerWaalsContact O-CB 3.23Å; K75-K79 WeakPolarHBondContact O-CB 3.39Å; K75-K79 PolarHBondContact O-N 3.44Å; K76-K79 PolarHBondContact O-N 3.38Å; M77-K79 VanDerWaalsContact C-N 3.27Å; M77-K79 PolarHBondContact O-N 3.18Å; K79-F81 VanDerWaalsContact C-N 3.31Å; K79-F81 PolarHBondContact O-N 2.8Å; K79-G82 PolarHBondContact O-N 3.42Å; K79-Q85 HydrophobicContact CB-CG 4.04Å
80	F	92.4	Very high	89.1	Confident	16 Å²	16	51.5 Å²	51.5	7%	0.07	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-44.7	-179.4	-172.2	-79	0	0	0	111.2	Y58 K76 M77 Q78 G82 D106 H413 S414 Q415 P423	Y58-F80 WeakPolarHBondContact OH-CB 3.15Å; K76-F80 PolarHBondContact O-N 2.79Å; M77-F80 WeakPolarHBondContact O-CB 3.48Å; M77-F80 PolarHBondContact O-N 2.78Å; Q78-F80 PolarHBondContact O-N 2.87Å; F80-G82 VanDerWaalsContact C-N 3.32Å; F80-G82 PolarHBondContact O-N 3.33Å; F80-D106 HydrophobicContact CD2-CB 3.99Å; F80-D106 HydrophobicContact CE2-CB 3.93Å; F80-D106 HydrophobicContact CG-CB 4.38Å; F80-D106 HydrophobicContact CZ-CB 4.3Å; F80-H413 HydrophobicContact CZ-CB 3.97Å; F80-S414 WeakPolarHBondContact CZ-O 3.27Å; F80-Q415 HydrophobicContact CD1-CG 4.3Å; F80-Q415 HydrophobicContact CD2-CG 3.62Å; F80-Q415 HydrophobicContact CE1-CG 4.22Å; F80-Q415 HydrophobicContact CE2-CG 3.57Å; F80-Q415 HydrophobicContact CG-CG 3.98Å; F80-Q415 HydrophobicContact CZ-CG 3.86Å; F80-P423 HydrophobicContact CE1-CG 3.58Å; F80-P423 HydrophobicContact CZ-CG 4.16Å
81	F	91.4	Very high	89.8	Confident	45 Å²	45	56.3 Å²	56.3	20%	0.197	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	10.4	-179.5	-67.1	-72.5	0	0	0	114.6	Y53 M77 Q78 K79 L83 T96 P423 I424	Y53-F81 WeakPolarHBondContact OH-CZ 3.45Å; M77-F81 HydrophobicContact CE-CD2 3.51Å; M77-F81 HydrophobicContact CE-CE2 3.69Å; M77-F81 HydrophobicContact CE-CG 4.47Å; M77-F81 HydrophobicContact CG-CD2 3.96Å; M77-F81 HydrophobicContact CG-CE2 4Å; M77-F81 WeakPolarHBondContact O-CD2 3.26Å; M77-F81 PolarHBondContact O-N 2.8Å; M77-F81 VanDerWaalsContact O-N 3.09Å; M77-F81 HydrophobicContact SD-CD2 3.81Å; M77-F81 HydrophobicContact SD-CE2 4.3Å; Q78-F81 PolarHBondContact O-N 2.98Å; K79-F81 VanDerWaalsContact C-N 3.31Å; K79-F81 PolarHBondContact O-N 2.8Å; F81-L83 HydrophobicContact CB-CD1 4.34Å; F81-L83 HydrophobicContact CB-CG 4.14Å; F81-L83 PolarHBondContact O-N 2.69Å; F81-T96 HydrophobicContact CB-CG2 4.16Å; F81-T96 HydrophobicContact CD1-CG2 4.01Å; F81-T96 HydrophobicContact CD2-CG2 4.16Å; F81-T96 HydrophobicContact CE1-CG2 4.48Å; F81-T96 HydrophobicContact CG-CG2 3.83Å; F81-P423 HydrophobicContact CE1-CG 3.73Å; F81-P423 HydrophobicContact CZ-CG 3.83Å; F81-I424 HydrophobicContact CD1-CD1 3.69Å; F81-I424 HydrophobicContact CE1-CD1 3.35Å; F81-I424 HydrophobicContact CE1-CG1 3.74Å; F81-I424 HydrophobicContact CZ-CD1 4.16Å; F81-I424 HydrophobicContact CZ-CG1 4.35Å
82	G	88.5	Confident	89.9	Confident	63 Å²	63	55.8 Å²	55.8	65%	0.649	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	18.9	179.9	0	0	0	0	0	114.9	Q78 K79 F80	Q78-G82 PolarHBondContact O-N 2.92Å; Q78-G82 VanDerWaalsContact O-N 3.14Å; K79-G82 PolarHBondContact O-N 3.42Å; F80-G82 VanDerWaalsContact C-N 3.32Å; F80-G82 PolarHBondContact O-N 3.33Å
83	L	89.6	Confident	90.3	Very high	15 Å²	15	52.4 Å²	52.4	8%	0.079	28%	0.277	C	S	.	.			trans	-80.8	159	176.4	-59.1	177.1	0	0	0	111.8	Q78 F81 Q85 N92	Q78-L83 HydrophobicContact CB-CB 3.96Å; Q78-L83 HydrophobicContact CG-CB 4.17Å; Q78-L83 HydrophobicContact CG-CD1 4.44Å; Q78-L83 WeakPolarHBondContact O-CA 3.49Å; Q78-L83 PolarHBondContact O-N 3.3Å; F81-L83 HydrophobicContact CB-CD1 4.34Å; F81-L83 HydrophobicContact CB-CG 4.14Å; F81-L83 PolarHBondContact O-N 2.69Å; L83-Q85 PolarHBondContact O-N 3.18Å; L83-N92 HydrophobicContact CD2-CB 4.36Å
84	P	87.9	Confident	90.5	Very high	81 Å²	81	52.4 Å²	52.4	53%	0.526	28%	0.277	S	S	.	.			trans	-57	125.8	170.4	-24.2	35.5	0	0	0	111.5	Q78 T86	Q78-P84 PolarHBondContact OE1-O 3.32Å; P84-T86 HydrophobicContact CB-CG2 4.11Å; P84-T86 PolarHBondContact O-N 2.99Å
85	Q	92.2	Very high	90.4	Very high	115 Å²	115	56.2 Å²	56.2	54%	0.537	30%	0.295	S	S	.	.			trans	-78.5	59.6	-177.4	-65.7	172.9	52.5	0	0	112.1	K75 Q78 K79 L83	K75-Q85 HydrophobicContact CB-CB 4.46Å; K75-Q85 HydrophobicContact CG-CB 4.36Å; Q78-Q85 HydrophobicContact CB-CG 4.49Å; K79-Q85 HydrophobicContact CB-CG 4.04Å; L83-Q85 PolarHBondContact O-N 3.18Å
86	T	90.9	Very high	90.5	Very high	52 Å²	52	53.8 Å²	53.8	32%	0.319	29%	0.285	S	S	.	.			trans	-71.8	-34.8	179.5	58.8	0	0	0	0	111.3	K71 Q78 P84 D88 D90	K71-T86 WeakPolarHBondContact CE-O 3.22Å; K71-T86 PolarHBondContact NZ-O 3.35Å; Q78-T86 PolarHBondContact NE2-OG1 3.43Å; Q78-T86 VanDerWaalsContact OE1-N 3.08Å; P84-T86 HydrophobicContact CB-CG2 4.11Å; P84-T86 PolarHBondContact O-N 2.99Å; T86-D88 PolarHBondContact O-N 3.35Å; T86-D88 PolarHBondContact OG1-N 2.99Å; T86-D88 VanDerWaalsContact OG1-N 3.12Å; T86-D88 PolarHBondContact OG1-O 2.97Å; T86-D90 PolarHBondContact OG1-OD2 3.23Å
87	G	88.8	Confident	90.5	Very high	6 Å²	6	48.1 Å²	48.1	6%	0.062	26%	0.261	C	S	.	.			trans	67.2	17.8	-166.6	0	0	0	0	0	113.1	K71	K71-G87 WeakPolarHBondContact CG-O 3.45Å
88	D	90.2	Very high	90.4	Very high	86 Å²	86	54.2 Å²	54.2	46%	0.46	28%	0.284	S	S	.	.	S	Bend	trans	-110.4	150.8	173.4	-54.9	-39.2	0	0	0	109.3	K71 L74 Q78 T86 D90	K71-D88 IonicContact NZ-OD1 2.73Å; K71-D88 PolarHBondContact NZ-OD1 2.92Å; K71-D88 IonicContact NZ-OD2 2.88Å; L74-D88 VanDerWaalsContact CD2-C 3.47Å; L74-D88 WeakPolarHBondContact CD2-O 3.48Å; Q78-D88 PolarHBondContact NE2-O 2.88Å; Q78-D88 VanDerWaalsContact NE2-O 3.09Å; T86-D88 PolarHBondContact O-N 3.35Å; T86-D88 PolarHBondContact OG1-N 2.99Å; T86-D88 VanDerWaalsContact OG1-N 3.12Å; T86-D88 PolarHBondContact OG1-O 2.97Å; D88-D90 PolarHBondContact O-N 2.94Å
89	L	88.3	Confident	90.3	Very high	58 Å²	58	57.3 Å²	57.3	30%	0.304	30%	0.297	S	S	.	.			trans	-79	74.6	176.5	-72.4	171.6	0	0	0	110.3	A50 L74 T93 I94	A50-L89 HydrophobicContact CB-CD1 3.75Å; A50-L89 HydrophobicContact CB-CD2 3.47Å; A50-L89 VanDerWaalsContact CB-CD2 3.47Å; A50-L89 HydrophobicContact CB-CG 4.26Å; L74-L89 HydrophobicContact CD1-CD2 3.8Å; L74-L89 HydrophobicContact CD2-CD2 3.74Å; L74-L89 HydrophobicContact CD2-CG 3.94Å; L74-L89 HydrophobicContact CG-CD2 4.48Å; L89-T93 HydrophobicContact CD2-CG2 4.4Å; L89-I94 HydrophobicContact CB-CD1 4.29Å; L89-I94 HydrophobicContact CB-CG1 4.38Å
90	D	88.4	Confident	90.5	Very high	45 Å²	45	52.7 Å²	52.7	24%	0.241	28%	0.28	C	S	.	.			trans	-75.2	162.2	172.1	58.1	57.1	0	0	0	112.3	T86 D88 N92 T93 I94	T86-D90 PolarHBondContact OG1-OD2 3.23Å; D88-D90 PolarHBondContact O-N 2.94Å; D90-N92 VanDerWaalsContact C-N 3.3Å; D90-N92 PolarHBondContact O-N 3.36Å; D90-T93 VanDerWaalsContact CG-OG1 3.26Å; D90-T93 WeakPolarHBondContact O-CB 3.16Å; D90-T93 PolarHBondContact O-N 2.74Å; D90-T93 VanDerWaalsContact O-N 3.08Å; D90-T93 VanDerWaalsContact OD1-CB 3.26Å; D90-T93 WeakPolarHBondContact OD1-CB 2.98Å; D90-T93 PolarHBondContact OD1-N 2.83Å; D90-T93 PolarHBondContact OD1-OG1 3.46Å; D90-T93 PolarHBondContact OD2-OG1 2.89Å; D90-I94 PolarHBondContact O-N 3.44Å
91	Q	88.1	Confident	90.8	Very high	119 Å²	119	52.1 Å²	52.1	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-56	-43.2	-174.8	-174.8	62.7	28.9	0	0	112.2	T93 I94 E95	Q91-T93 VanDerWaalsContact C-N 3.34Å; Q91-T93 PolarHBondContact O-N 3.04Å; Q91-I94 PolarHBondContact O-N 3.22Å; Q91-E95 HydrophobicContact CG-CG 4.5Å; Q91-E95 VanDerWaalsContact CG-OE1 3.32Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.47Å; Q91-E95 PolarHBondContact NE2-OE1 3.29Å; Q91-E95 WeakPolarHBondContact O-CB 3.4Å; Q91-E95 VanDerWaalsContact O-CG 3.31Å; Q91-E95 WeakPolarHBondContact O-CG 3.2Å; Q91-E95 PolarHBondContact O-N 3.22Å
92	N	86.7	Confident	91.1	Very high	64 Å²	64	50.2 Å²	50.2	34%	0.342	27%	0.27	S	S	.	.	H	α-helix	trans	-65.6	-37.7	178.7	-70.5	-20.3	0	0	0	112	L83 D90 T96	L83-N92 HydrophobicContact CD2-CB 4.36Å; D90-N92 VanDerWaalsContact C-N 3.3Å; D90-N92 PolarHBondContact O-N 3.36Å; N92-T96 WeakPolarHBondContact O-CB 3.38Å; N92-T96 PolarHBondContact O-N 3.03Å; N92-T96 PolarHBondContact O-OG1 2.72Å
93	T	91.6	Very high	91.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-46.5	175.8	-59.7	0	0	0	0	110.7	L74 M77 Q78 L89 D90 Q91 T96 M97	L74-T93 HydrophobicContact CD1-CG2 3.85Å; L74-T93 HydrophobicContact CG-CG2 4.41Å; M77-T93 HydrophobicContact SD-CG2 4.14Å; Q78-T93 HydrophobicContact CG-CG2 4.27Å; Q78-T93 PolarHBondContact NE2-OG1 3.48Å; L89-T93 HydrophobicContact CD2-CG2 4.4Å; D90-T93 VanDerWaalsContact CG-OG1 3.26Å; D90-T93 WeakPolarHBondContact O-CB 3.16Å; D90-T93 PolarHBondContact O-N 2.74Å; D90-T93 VanDerWaalsContact O-N 3.08Å; D90-T93 VanDerWaalsContact OD1-CB 3.26Å; D90-T93 WeakPolarHBondContact OD1-CB 2.98Å; D90-T93 PolarHBondContact OD1-N 2.83Å; D90-T93 PolarHBondContact OD1-OG1 3.46Å; D90-T93 PolarHBondContact OD2-OG1 2.89Å; Q91-T93 VanDerWaalsContact C-N 3.34Å; Q91-T93 PolarHBondContact O-N 3.04Å; T93-T96 PolarHBondContact O-N 2.56Å; T93-M97 HydrophobicContact CG2-CE 4Å; T93-M97 HydrophobicContact CG2-SD 4.49Å; T93-M97 WeakPolarHBondContact O-CG 3.38Å; T93-M97 PolarHBondContact O-N 2.84Å
94	I	91.4	Very high	91.8	Very high	12 Å²	12	48.3 Å²	48.3	6%	0.062	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-46.8	178.2	-65	162.7	0	0	0	110.7	D46 L89 D90 Q91 T96 M97 R98	D46-I94 HydrophobicContact CB-CD1 3.8Å; D46-I94 HydrophobicContact CB-CG1 4.3Å; D46-I94 HydrophobicContact CB-CG2 4.47Å; L89-I94 HydrophobicContact CB-CD1 4.29Å; L89-I94 HydrophobicContact CB-CG1 4.38Å; D90-I94 PolarHBondContact O-N 3.44Å; Q91-I94 PolarHBondContact O-N 3.22Å; I94-T96 PolarHBondContact O-N 2.83Å; I94-M97 PolarHBondContact O-N 3.24Å; I94-M97 VanDerWaalsContact O-N 3.15Å; I94-R98 HydrophobicContact CG2-CG 4.42Å; I94-R98 WeakPolarHBondContact O-CG 3.29Å; I94-R98 PolarHBondContact O-N 2.96Å
95	E	89.3	Confident	92	Very high	83 Å²	83	47 Å²	47	39%	0.388	24%	0.24	S	C	.	.	H	α-helix	trans	-58.3	-38.5	177	-76.7	175.3	-167.7	0	0	111.7	Q91 R98 K99	Q91-E95 HydrophobicContact CG-CG 4.5Å; Q91-E95 VanDerWaalsContact CG-OE1 3.32Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.47Å; Q91-E95 PolarHBondContact NE2-OE1 3.29Å; Q91-E95 WeakPolarHBondContact O-CB 3.4Å; Q91-E95 VanDerWaalsContact O-CG 3.31Å; Q91-E95 WeakPolarHBondContact O-CG 3.2Å; Q91-E95 PolarHBondContact O-N 3.22Å; E95-R98 PolarHBondContact O-N 2.9Å; E95-K99 WeakPolarHBondContact O-CG 3.31Å; E95-K99 PolarHBondContact O-N 3.14Å
96	T	92.3	Very high	91.9	Very high	15 Å²	15	42.4 Å²	42.4	9%	0.092	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-43.6	175.7	-58.3	0	0	0	0	111.7	M77 F81 N92 T93 I94 R98 K99 I424	M77-T96 HydrophobicContact CE-CG2 3.94Å; F81-T96 HydrophobicContact CB-CG2 4.16Å; F81-T96 HydrophobicContact CD1-CG2 4.01Å; F81-T96 HydrophobicContact CD2-CG2 4.16Å; F81-T96 HydrophobicContact CE1-CG2 4.48Å; F81-T96 HydrophobicContact CG-CG2 3.83Å; N92-T96 WeakPolarHBondContact O-CB 3.38Å; N92-T96 PolarHBondContact O-N 3.03Å; N92-T96 PolarHBondContact O-OG1 2.72Å; T93-T96 PolarHBondContact O-N 2.56Å; I94-T96 PolarHBondContact O-N 2.83Å; T96-R98 PolarHBondContact O-N 2.84Å; T96-K99 PolarHBondContact O-N 2.86Å; T96-I424 HydrophobicContact CG2-CD1 3.7Å
97	M	92.6	Very high	91.3	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.039	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-25.1	176.9	-72.7	-179.1	175.1	0	0	113.7	L49 A50 Y53 L54 L74 M77 T93 I94 K99	L49-M97 HydrophobicContact CD2-CB 4.31Å; A50-M97 HydrophobicContact CB-SD 3.96Å; Y53-M97 HydrophobicContact CD1-CE 3.93Å; Y53-M97 HydrophobicContact CD1-CG 3.88Å; Y53-M97 HydrophobicContact CD1-SD 4.22Å; Y53-M97 HydrophobicContact CD2-CB 3.77Å; Y53-M97 HydrophobicContact CD2-CG 3.87Å; Y53-M97 HydrophobicContact CE1-CE 4.47Å; Y53-M97 HydrophobicContact CE1-CG 4.05Å; Y53-M97 HydrophobicContact CE2-CB 3.97Å; Y53-M97 HydrophobicContact CE2-CG 4.05Å; Y53-M97 WeakPolarHBondContact CE2-O 3.28Å; Y53-M97 HydrophobicContact CG-CB 4.16Å; Y53-M97 HydrophobicContact CG-CE 4.41Å; Y53-M97 HydrophobicContact CG-CG 3.79Å; Y53-M97 HydrophobicContact CG-SD 4.11Å; L54-M97 HydrophobicContact CD2-CE 4.02Å; L54-M97 HydrophobicContact CG-CE 4.22Å; L74-M97 HydrophobicContact CD1-CE 3.35Å; M77-M97 HydrophobicContact CE-CE 3.78Å; M77-M97 HydrophobicContact CE-CG 3.42Å; M77-M97 VanDerWaalsContact CE-CG 3.42Å; M77-M97 HydrophobicContact CE-SD 4.49Å; M77-M97 HydrophobicContact CG-CE 3.99Å; M77-M97 HydrophobicContact SD-CE 3.73Å; T93-M97 HydrophobicContact CG2-CE 4Å; T93-M97 HydrophobicContact CG2-SD 4.49Å; T93-M97 WeakPolarHBondContact O-CG 3.38Å; T93-M97 PolarHBondContact O-N 2.84Å; I94-M97 PolarHBondContact O-N 3.24Å; I94-M97 VanDerWaalsContact O-N 3.15Å; M97-K99 VanDerWaalsContact C-N 3.34Å
98	R	91.4	Very high	89.8	Confident	128 Å²	128	45.2 Å²	45.2	48%	0.483	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.8	178	-71.8	-179.8	-178.8	-75.3	-0.4	113.3	D46 L49 I94 E95 T96	D46-R98 IonicContact OD1-CZ 2.8Å; D46-R98 IonicContact OD1-NE 3.34Å; D46-R98 IonicContact OD1-NH2 3.28Å; D46-R98 PolarHBondContact OD1-NH2 2.98Å; L49-R98 HydrophobicContact CD2-CG 3.42Å; L49-R98 VanDerWaalsContact CD2-CG 3.42Å; I94-R98 HydrophobicContact CG2-CG 4.42Å; I94-R98 WeakPolarHBondContact O-CG 3.29Å; I94-R98 PolarHBondContact O-N 2.96Å; E95-R98 PolarHBondContact O-N 2.9Å; T96-R98 PolarHBondContact O-N 2.84Å
99	K	92.9	Very high	87.7	Confident	66 Å²	66	47.4 Å²	47.4	29%	0.287	25%	0.253	S	S	.	.	S	Bend	trans	-72.2	138.7	179.2	-67.1	-178.5	-178.7	179.8	0	110.3	E95 T96 M97 I424	E95-K99 WeakPolarHBondContact O-CG 3.31Å; E95-K99 PolarHBondContact O-N 3.14Å; T96-K99 PolarHBondContact O-N 2.86Å; M97-K99 VanDerWaalsContact C-N 3.34Å; K99-I424 HydrophobicContact CB-CD1 4.48Å; K99-I424 HydrophobicContact CB-CG1 4.46Å; K99-I424 HydrophobicContact CB-CG2 3.82Å; K99-I424 HydrophobicContact CD-CD1 4.24Å; K99-I424 HydrophobicContact CD-CG2 3.9Å; K99-I424 HydrophobicContact CG-CG2 4.49Å
100	P	96.2	Very high	85.5	Confident	30 Å²	30	49.3 Å²	49.3	20%	0.195	26%	0.257	C	S	.	.			trans	-56.9	139.9	173.2	-21.6	32.4	0	0	0	111.1	G189 L191 Y395 Y425	P100-G189 WeakPolarHBondContact CA-O 3.41Å; P100-L191 HydrophobicContact CB-CD1 4.18Å; P100-L191 HydrophobicContact CB-CD2 4.04Å; P100-L191 HydrophobicContact CB-CG 4.23Å; P100-Y395 HydrophobicContact CB-CE1 3.54Å; P100-Y395 HydrophobicContact CG-CE1 3.69Å; P100-Y395 WeakPolarHBondContact CG-OH 3.49Å; P100-Y425 PolarHBondContact O-N 3.46Å
101	R	97.8	Very high	83	Confident	3 Å²	3	55.3 Å²	55.3	1%	0.011	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-152.2	169.5	-173.9	69.9	172	-48.3	-88.2	12.7	112.9	Y53 F57 N104 D106 G189 L191 P423	Y53-R101 WeakPolarHBondContact OH-CD 3.39Å; Y53-R101 PolarHBondContact OH-NE 3.46Å; F57-R101 HydrophobicContact CZ-CG 4.2Å; R101-N104 PolarHBondContact NH1-O 2.96Å; R101-D106 IonicContact CZ-OD1 2.81Å; R101-D106 IonicContact NH2-OD1 3.85Å; R101-D106 PolarHBondContact NH2-OD1 3.12Å; R101-D106 IonicContact NH2-OD2 2.63Å; R101-D106 PolarHBondContact NH2-OD2 2.87Å; R101-G189 PolarHBondContact N-O 3.1Å; R101-L191 PolarHBondContact O-N 3.21Å; R101-P423 CarbonylContact C-O 3.55Å; R101-P423 WeakPolarHBondContact CA-O 3.4Å; R101-P423 WeakPolarHBondContact CB-O 3.23Å
102	C	98.1	Very high	80.6	Confident	6 Å²	6	58.4 Å²	58.4	4%	0.041	30%	0.301	C	S	.	.			trans	-59.1	150.8	167.2	179.7	0	0	0	0	111.4	N104 H403 E404 H413 P423	C102-N104 VanDerWaalsContact C-N 3.3Å; C102-N104 PolarHBondContact SG-N 2.56Å; C102-H403 WeakPolarHBondContact CB-NE2 3.31Å; C102-E404 PolarHBondContact SG-OE1 2.71Å; C102-H413 WeakPolarHBondContact CB-NE2 3.3Å; C102-P423 PolarHBondContact N-O 2.75Å
103	G	96.6	Very high	78.3	Confident	12 Å²	12	61.6 Å²	61.6	12%	0.124	31%	0.312	C	S	.	.	S	Bend	trans	-76.4	-13.7	175.4	0	0	0	0	0	114	A192	G103-A192 WeakPolarHBondContact CA-O 3.29Å; G103-A192 PolarHBondContact N-O 3.28Å
104	N	95.3	Very high	75.9	Confident	25 Å²	25	68.1 Å²	68.1	13%	0.134	35%	0.354	C	S	.	.	S	Bend	trans	-72.5	151.4	-178	-82.3	-42.5	0	0	0	113.4	F57 R101 C102 A194 H407 H413	F57-N104 WeakPolarHBondContact CD1-O 2.89Å; R101-N104 PolarHBondContact NH1-O 2.96Å; C102-N104 VanDerWaalsContact C-N 3.3Å; C102-N104 PolarHBondContact SG-N 2.56Å; N104-A194 PolarHBondContact ND2-O 3.38Å; N104-A194 PolarHBondContact OD1-O 2.76Å; N104-H407 PolarHBondContact ND2-CD2 3.4Å; N104-H407 PolarHBondContact ND2-NE2 3.4Å; N104-H413 PolarHBondContact O-CE1 3.38Å
105	P	92.8	Very high	74.1	Confident	55 Å²	55	77.4 Å²	77.4	36%	0.357	39%	0.389	S	S	.	.			trans	-66.3	154.3	174.5	-21.6	34.1	0	0	0	114.3	H413	P105-H413 PolarHBondContact O-ND1 3.01Å
106	D	90	Very high	73.1	Confident	17 Å²	17	81 Å²	81	9%	0.091	40%	0.403	C	S	.	.	S	Bend	trans	-90.9	-25.1	175.5	-74.1	-31	0	0	0	112.7	F57 Y58 F80 R101 H413	F57-D106 PolarHBondContact O-N 2.83Å; F57-D106 VanDerWaalsContact O-N 3.07Å; Y58-D106 HydrophobicContact CE1-CB 4.07Å; Y58-D106 HydrophobicContact CE2-CB 4.01Å; Y58-D106 VanDerWaalsContact CE2-OD2 3.28Å; Y58-D106 WeakPolarHBondContact CE2-OD2 3.23Å; Y58-D106 VanDerWaalsContact CZ-OD2 3.25Å; Y58-D106 WeakPolarHBondContact OH-CB 3.31Å; Y58-D106 PolarHBondContact OH-OD2 3.15Å; F80-D106 HydrophobicContact CD2-CB 3.99Å; F80-D106 HydrophobicContact CE2-CB 3.93Å; F80-D106 HydrophobicContact CG-CB 4.38Å; F80-D106 HydrophobicContact CZ-CB 4.3Å; R101-D106 IonicContact CZ-OD1 2.81Å; R101-D106 IonicContact NH2-OD1 3.85Å; R101-D106 PolarHBondContact NH2-OD1 3.12Å; R101-D106 IonicContact NH2-OD2 2.63Å; R101-D106 PolarHBondContact NH2-OD2 2.87Å; D106-H413 IonicContact OD1-CG 3.25Å; D106-H413 IonicContact OD1-ND1 2.79Å; D106-H413 PolarHBondContact OD1-ND1 3.49Å
107	V	78.8	Confident	72.6	Confident	49 Å²	49	81.8 Å²	81.8	30%	0.297	41%	0.409	S	S	.	.	S	Bend	trans	-114.6	118.8	177.4	-57.5	0	0	0	0	108.3	F57 Y58 N109	F57-V107 PolarHBondContact O-N 2.81Å; Y58-V107 HydrophobicContact CD1-CG1 3.66Å; Y58-V107 HydrophobicContact CD1-CG2 4.28Å; Y58-V107 HydrophobicContact CE1-CG1 3.8Å; V107-N109 PolarHBondContact O-N 3.4Å
108	A	57.5	Low	72.6	Confident	68 Å²	68	85.6 Å²	85.6	56%	0.562	43%	0.425	S	S	*	.			trans	-59.8	123.5	-179.7	0	0	0	0	0	110.7	Y110	A108-Y110 HydrophobicContact CB-CD2 4.33Å
109	N	46.5	Very low	72.8	Confident	133 Å²	133	80.4 Å²	80.4	71%	0.711	41%	0.405	S	S	*	.			trans	-79.5	5.5	155.8	-92.4	-20.7	0	0	0	111.8	V107 N111	V107-N109 PolarHBondContact O-N 3.4Å; N109-N111 PolarHBondContact O-N 2.97Å
110	Y	41.7	Very low	72.9	Confident	97 Å²	97	85.2 Å²	85.2	38%	0.38	43%	0.434	S	S	.	.			trans	-82.8	32.8	-175.5	-63	-63.2	0	0	0	115.4	A108 F112 F113	A108-Y110 HydrophobicContact CB-CD2 4.33Å; Y110-F112 PolarHBondContact O-N 2.76Å; Y110-F112 VanDerWaalsContact O-N 3.08Å; Y110-F113 AromaticContact CD1-CD2 3.47Å; Y110-F113 HydrophobicContact CD1-CD2 3.47Å; Y110-F113 VanDerWaalsContact CD1-CD2 3.47Å; Y110-F113 AromaticContact CD1-CE2 3.5Å; Y110-F113 HydrophobicContact CD1-CE2 3.5Å; Y110-F113 HydrophobicContact CE1-CD2 4.08Å; Y110-F113 AromaticContact CE1-CE2 3.68Å; Y110-F113 HydrophobicContact CE1-CE2 3.68Å; Y110-F113 HydrophobicContact CG-CD2 4.32Å; Y110-F113 PolarHBondContact O-N 3.18Å
111	N	36.2	Very low	72.9	Confident	172 Å²	172	88 Å²	88	92%	0.92	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	8.8	158.9	-125.4	10.2	0	0	0	112.2	N109	N109-N111 PolarHBondContact O-N 2.97Å
112	F	37.3	Very low	72.8	Confident	183 Å²	183	91.2 Å²	91.2	80%	0.803	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-11.3	176.4	-101.3	-82.2	0	0	0	115	Y110	Y110-F112 PolarHBondContact O-N 2.76Å; Y110-F112 VanDerWaalsContact O-N 3.08Å
113	F	38.7	Very low	72.8	Confident	131 Å²	131	98.2 Å²	98.2	58%	0.575	49%	0.493	S	S	*	.			trans	-111.3	115	175	-63.7	-66.6	0	0	0	110.9	Y110 R115	Y110-F113 AromaticContact CD1-CD2 3.47Å; Y110-F113 HydrophobicContact CD1-CD2 3.47Å; Y110-F113 VanDerWaalsContact CD1-CD2 3.47Å; Y110-F113 AromaticContact CD1-CE2 3.5Å; Y110-F113 HydrophobicContact CD1-CE2 3.5Å; Y110-F113 HydrophobicContact CE1-CD2 4.08Å; Y110-F113 AromaticContact CE1-CE2 3.68Å; Y110-F113 HydrophobicContact CE1-CE2 3.68Å; Y110-F113 HydrophobicContact CG-CD2 4.32Å; Y110-F113 PolarHBondContact O-N 3.18Å; F113-R115 PolarHBondContact O-N 3.25Å
114	P	40	Very low	72.8	Confident	137 Å²	137	97.7 Å²	97.7	89%	0.89	49%	0.487	S	S	*	.	S	Bend	trans	-64.7	-0.4	176	-21.1	32	0	0	0	114.8
115	R	53.8	Low	73	Confident	208 Å²	208	98.1 Å²	98.1	79%	0.785	49%	0.49	S	S	*	.	S	Bend	trans	-131.3	132.8	-173	-63.1	-176.8	-177.6	-177.7	1.1	109.3	F113 P117	F113-R115 PolarHBondContact O-N 3.25Å; R115-P117 WeakPolarHBondContact O-CD 3.45Å
116	K	68	Low	73.3	Confident	157 Å²	157	96.5 Å²	96.5	68%	0.683	48%	0.477	S	S	*	.			trans	-54.3	120.2	166.5	-66.1	-176	174.7	-169.3	0	107.9	K118 L444	K116-K118 PolarHBondContact O-N 3.03Å; K116-L444 HydrophobicContact CB-CD2 4.4Å
117	P	81.8	Confident	73.7	Confident	33 Å²	33	97 Å²	97	21%	0.214	48%	0.478	C	S	.	.			trans	-56.9	126.9	178.5	-24	34.2	0	0	0	110.3	R115 A196 P197	R115-P117 WeakPolarHBondContact O-CD 3.45Å; P117-A196 HydrophobicContact CB-CB 3.82Å; P117-A196 HydrophobicContact CG-CB 4.14Å; P117-P197 HydrophobicContact CB-CG 4.49Å
118	K	92.6	Very high	74.6	Confident	88 Å²	88	95 Å²	95	38%	0.383	47%	0.466	S	S	.	.			trans	-158.9	142.9	-178.6	-175	-164.6	161.9	175.1	0	108.3	K116 L444 Y445	K116-K118 PolarHBondContact O-N 3.03Å; K118-L444 HydrophobicContact CB-CD2 4.49Å; K118-L444 HydrophobicContact CD-CB 4.47Å; K118-L444 VanDerWaalsContact CD-O 3.29Å; K118-L444 WeakPolarHBondContact CD-O 3.21Å; K118-L444 WeakPolarHBondContact CE-O 3.21Å; K118-L444 HydrophobicContact CG-CB 4.32Å; K118-L444 PolarHBondContact NZ-O 3.39Å; K118-Y445 HydrophobicContact CD-CD1 4.44Å; K118-Y445 HydrophobicContact CD-CE1 4.16Å; K118-Y445 VanDerWaalsContact CE-CD1 3.46Å; K118-Y445 HydrophobicContact CG-CD1 4.2Å; K118-Y445 HydrophobicContact CG-CE1 3.48Å; K118-Y445 VanDerWaalsContact CG-CE1 3.48Å; K118-Y445 HydrophobicContact CG-CE2 4.25Å
119	W	96.1	Very high	76.5	Confident	19 Å²	19	94.8 Å²	94.8	7%	0.072	45%	0.454	C	S	.	.			trans	-65.3	134.4	167.7	-67.1	112.4	0	0	0	112.1	K121 I124 D168 P197 G198 G202 A408 Y445	W119-K121 PolarHBondContact O-N 2.9Å; W119-I124 HydrophobicContact CB-CD1 3.72Å; W119-I124 HydrophobicContact CD2-CD1 3.96Å; W119-I124 HydrophobicContact CG-CD1 3.54Å; W119-I124 HydrophobicContact CG-CG1 4.46Å; W119-D168 HydrophobicContact CH2-CB 3.98Å; W119-D168 WeakPolarHBondContact CH2-O 3.38Å; W119-D168 HydrophobicContact CZ2-CB 4.17Å; W119-D168 HydrophobicContact CZ3-CB 4.42Å; W119-P197 HydrophobicContact CD2-CB 3.78Å; W119-P197 HydrophobicContact CD2-CG 4.41Å; W119-P197 HydrophobicContact CE3-CB 4.2Å; W119-P197 HydrophobicContact CG-CB 4.1Å; W119-P197 HydrophobicContact CG-CG 4.35Å; W119-P197 HydrophobicContact CZ2-CB 4.12Å; W119-G198 WeakPolarHBondContact CH2-O 3.06Å; W119-G198 WeakPolarHBondContact CZ3-O 3.18Å; W119-G202 WeakPolarHBondContact CH2-O 3.17Å; W119-A408 PolarHBondContact NE1-O 2.68Å; W119-Y445 HydrophobicContact CB-CE1 4.07Å; W119-Y445 PolarHBondContact N-OH 3.3Å
120	D	95.1	Very high	78.8	Confident	166 Å²	166	88.9 Å²	88.9	89%	0.888	43%	0.425	S	S	*	.	S	Bend	trans	-77.5	6.4	174.9	-69.4	-34.7	0	0	0	113.1
121	K	95.4	Very high	81.4	Confident	88 Å²	88	85.1 Å²	85.1	38%	0.383	41%	0.41	S	S	.	.			trans	-143.2	160.1	-177	56.7	176.3	176.4	173.6	0	110.9	W119 Q123 I124 D168	W119-K121 PolarHBondContact O-N 2.9Å; K121-Q123 WeakPolarHBondContact CD-O 3.3Å; K121-I124 HydrophobicContact CD-CD1 4.34Å; K121-I124 HydrophobicContact CG-CD1 3.77Å; K121-D168 VanDerWaalsContact CE-CG 3.46Å; K121-D168 VanDerWaalsContact CE-OD1 3.23Å; K121-D168 WeakPolarHBondContact CE-OD1 3.32Å; K121-D168 WeakPolarHBondContact CE-OD2 3.48Å; K121-D168 IonicContact NZ-OD1 3.28Å; K121-D168 PolarHBondContact NZ-OD1 3.45Å; K121-D168 IonicContact NZ-OD2 3.85Å; K121-D168 PolarHBondContact NZ-OD2 3.29Å
122	N	95.9	Very high	84.3	Confident	72 Å²	72	77 Å²	77	39%	0.385	37%	0.366	S	S	.	.	S	Bend	trans	-105.5	-12.1	-179.9	-68	-8.8	0	0	0	114	L157 R158	N122-L157 CarbonylContact O-C 3.57Å; N122-L157 WeakPolarHBondContact O-CA 3.4Å; N122-R158 PolarHBondContact O-N 3.15Å
123	Q	97.8	Very high	87	Confident	153 Å²	153	69.6 Å²	69.6	72%	0.715	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.8	173.4	-68.2	178.5	10.6	0	0	107.6	K121 R158	K121-Q123 WeakPolarHBondContact CD-O 3.3Å; Q123-R158 WeakPolarHBondContact CA-O 3.34Å
124	I	98.5	Very high	89.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.9	-175.5	-51.7	-59.9	0	0	0	108.1	W119 K121 L157 R158 F159 S160 D168 I169	W119-I124 HydrophobicContact CB-CD1 3.72Å; W119-I124 HydrophobicContact CD2-CD1 3.96Å; W119-I124 HydrophobicContact CG-CD1 3.54Å; W119-I124 HydrophobicContact CG-CG1 4.46Å; K121-I124 HydrophobicContact CD-CD1 4.34Å; K121-I124 HydrophobicContact CG-CD1 3.77Å; I124-L157 HydrophobicContact CG1-CD2 4.12Å; I124-R158 PolarHBondContact N-O 3.13Å; I124-F159 HydrophobicContact CB-CD1 3.77Å; I124-F159 HydrophobicContact CB-CE1 3.89Å; I124-F159 HydrophobicContact CG1-CD1 4.47Å; I124-F159 HydrophobicContact CG1-CE1 4.14Å; I124-F159 HydrophobicContact CG2-CD1 4.13Å; I124-F159 HydrophobicContact CG2-CE1 4.16Å; I124-F159 CarbonylContact O-C 3.57Å; I124-F159 VanDerWaalsContact O-CA 3.31Å; I124-F159 WeakPolarHBondContact O-CA 3.22Å; I124-S160 PolarHBondContact O-N 3.47Å; I124-S160 PolarHBondContact O-OG 2.83Å; I124-D168 WeakPolarHBondContact CA-OD2 3.46Å; I124-D168 HydrophobicContact CG2-CB 3.67Å; I124-I169 HydrophobicContact CG2-CD1 3.88Å; I124-I169 HydrophobicContact CG2-CG1 4.25Å
125	T	98.7	Very high	92.4	Very high	34 Å²	34	57.1 Å²	57.1	21%	0.209	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	143.4	173.4	58.1	0	0	0	0	110.3	S160 I162 D168 I169	T125-S160 CarbonylContact C-O 2.75Å; T125-S160 VanDerWaalsContact CA-O 3.23Å; T125-S160 WeakPolarHBondContact CA-O 3.48Å; T125-I162 HydrophobicContact CG2-CG2 3.95Å; T125-D168 PolarHBondContact N-OD2 3.35Å; T125-D168 VanDerWaalsContact O-CB 3.31Å; T125-D168 WeakPolarHBondContact O-CB 3.4Å; T125-D168 PolarHBondContact O-N 2.79Å; T125-D168 PolarHBondContact OG1-N 2.78Å; T125-D168 VanDerWaalsContact OG1-N 3.17Å; T125-D168 PolarHBondContact OG1-OD2 3.15Å; T125-I169 PolarHBondContact O-N 3.47Å; T125-I169 VanDerWaalsContact O-N 3.15Å
126	Y	98.8	Very high	94.5	Very high	21 Å²	21	47.3 Å²	47.3	8%	0.082	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.9	170.6	72.4	-85.4	0	0	0	110.6	I128 F148 F159 S160 R161 I162 I169 I171	Y126-I128 HydrophobicContact CE2-CD1 4.49Å; Y126-I128 HydrophobicContact CE2-CG1 4.47Å; Y126-F148 AromaticContact CD1-CD2 3.94Å; Y126-F148 HydrophobicContact CD1-CD2 3.94Å; Y126-F148 AromaticContact CD1-CE2 3.59Å; Y126-F148 HydrophobicContact CD1-CE2 3.59Å; Y126-F148 HydrophobicContact CD1-CZ 4.15Å; Y126-F148 HydrophobicContact CD2-CD2 4.37Å; Y126-F148 AromaticContact CD2-CE2 3.58Å; Y126-F148 HydrophobicContact CD2-CE2 3.58Å; Y126-F148 HydrophobicContact CD2-CZ 4.34Å; Y126-F148 AromaticContact CE1-CD2 3.84Å; Y126-F148 HydrophobicContact CE1-CD2 3.84Å; Y126-F148 AromaticContact CE1-CE2 3.91Å; Y126-F148 HydrophobicContact CE1-CE2 3.91Å; Y126-F148 HydrophobicContact CE2-CD2 4.26Å; Y126-F148 AromaticContact CE2-CE2 3.87Å; Y126-F148 HydrophobicContact CE2-CE2 3.87Å; Y126-F148 HydrophobicContact CG-CD2 4.19Å; Y126-F148 AromaticContact CG-CE2 3.4Å; Y126-F148 HydrophobicContact CG-CE2 3.4Å; Y126-F148 VanDerWaalsContact CG-CE2 3.4Å; Y126-F148 AromaticContact CG-CZ 3.86Å; Y126-F148 HydrophobicContact CG-CZ 3.86Å; Y126-F148 AromaticContact CZ-CD2 3.98Å; Y126-F159 HydrophobicContact CD1-CB 4.13Å; Y126-F159 HydrophobicContact CE1-CB 4.16Å; Y126-S160 PolarHBondContact N-O 3Å; Y126-R161 HydrophobicContact CD1-CB 4.49Å; Y126-R161 HydrophobicContact CD2-CB 4.49Å; Y126-R161 HydrophobicContact CD2-CG 4.31Å; Y126-R161 HydrophobicContact CE1-CB 3.9Å; Y126-R161 HydrophobicContact CE2-CB 3.92Å; Y126-R161 HydrophobicContact CE2-CG 3.86Å; Y126-R161 CarbonylContact O-C 3.1Å; Y126-R161 VanDerWaalsContact O-CA 3.31Å; Y126-R161 WeakPolarHBondContact O-CA 3.36Å; Y126-I162 PolarHBondContact O-N 3.24Å; Y126-I169 CarbonylContact C-O 3.39Å; Y126-I169 VanDerWaalsContact CA-O 3.25Å; Y126-I169 WeakPolarHBondContact CA-O 3.42Å; Y126-I171 HydrophobicContact CD2-CD1 3.78Å; Y126-I171 HydrophobicContact CE2-CD1 4.47Å
127	R	98.6	Very high	95.9	Very high	29 Å²	29	40.7 Å²	40.7	11%	0.109	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.3	176.8	177.4	174.7	175.1	-174	-0.1	109.9	I162 G165 A167 I169 M170 I171 T311	R127-I162 HydrophobicContact CB-CG1 4.19Å; R127-G165 PolarHBondContact NH1-O 2.83Å; R127-A167 HydrophobicContact CB-CB 3.73Å; R127-I169 PolarHBondContact N-O 3.3Å; R127-M170 HydrophobicContact CB-CE 4.41Å; R127-M170 HydrophobicContact CB-SD 3.93Å; R127-M170 HydrophobicContact CG-CE 4.43Å; R127-I171 PolarHBondContact O-N 3.04Å; R127-T311 PolarHBondContact NH2-O 2.92Å
128	I	98.6	Very high	96.7	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.8	172.1	-57	167	0	0	0	107.1	Y126 G130 Y131 D141 F144 I171	Y126-I128 HydrophobicContact CE2-CD1 4.49Å; Y126-I128 HydrophobicContact CE2-CG1 4.47Å; I128-G130 WeakPolarHBondContact CG2-O 3.28Å; I128-Y131 HydrophobicContact CB-CE2 4.49Å; I128-Y131 HydrophobicContact CG2-CD1 4.43Å; I128-Y131 HydrophobicContact CG2-CD2 4.11Å; I128-Y131 HydrophobicContact CG2-CE1 4Å; I128-Y131 HydrophobicContact CG2-CE2 3.65Å; I128-Y131 HydrophobicContact CG2-CG 4.47Å; I128-D141 WeakPolarHBondContact CD1-OD1 3.19Å; I128-F144 HydrophobicContact CD1-CD2 3.66Å; I128-F144 HydrophobicContact CD1-CE2 4.31Å; I128-F144 HydrophobicContact CG1-CD2 4Å; I128-F144 HydrophobicContact CG1-CE2 4.37Å; I128-F144 HydrophobicContact CG2-CE2 4.48Å; I128-I171 HydrophobicContact CG1-CB 4.42Å; I128-I171 HydrophobicContact CG1-CD1 4.15Å
129	I	96.1	Very high	97	Very high	64 Å²	64	40.9 Å²	40.9	33%	0.328	21%	0.205	S	C	.	.			trans	-93.4	-39.3	177.5	-55.5	-178.3	0	0	0	110.5	M170 I171 G313	I129-M170 HydrophobicContact CD1-CB 3.72Å; I129-M170 HydrophobicContact CD1-CE 3.44Å; I129-M170 VanDerWaalsContact CD1-CE 3.44Å; I129-M170 HydrophobicContact CD1-CG 4.16Å; I129-M170 HydrophobicContact CD1-SD 4.36Å; I129-M170 HydrophobicContact CG1-CB 4.35Å; I129-M170 HydrophobicContact CG1-CE 3.83Å; I129-I171 PolarHBondContact N-O 3.23Å; I129-G313 WeakPolarHBondContact O-CA 3.36Å
130	G	94.8	Very high	97.1	Very high	9 Å²	9	40 Å²	40	9%	0.093	20%	0.201	C	C	.	.			trans	-128.5	158.9	-177	0	0	0	0	0	112.6	I128 I171 N172 F173	I128-G130 WeakPolarHBondContact CG2-O 3.28Å; G130-I171 PolarHBondContact N-O 3.14Å; G130-N172 VanDerWaalsContact CA-OD1 3.27Å; G130-N172 WeakPolarHBondContact CA-OD1 3.29Å; G130-N172 PolarHBondContact N-OD1 2.87Å; G130-F173 WeakPolarHBondContact O-CD2 3.41Å
131	Y	97.6	Very high	97.3	Very high	18 Å²	18	33.5 Å²	33.5	7%	0.071	17%	0.167	C	C	.	.			trans	-132.7	148.5	-179.6	-74.4	-91.6	0	0	0	110.1	I128 P137 V140 D141 R161 D312 Y314	I128-Y131 HydrophobicContact CB-CE2 4.49Å; I128-Y131 HydrophobicContact CG2-CD1 4.43Å; I128-Y131 HydrophobicContact CG2-CD2 4.11Å; I128-Y131 HydrophobicContact CG2-CE1 4Å; I128-Y131 HydrophobicContact CG2-CE2 3.65Å; I128-Y131 HydrophobicContact CG2-CG 4.47Å; Y131-P137 HydrophobicContact CD1-CB 4Å; Y131-P137 HydrophobicContact CE1-CB 3.73Å; Y131-V140 HydrophobicContact CD1-CB 3.77Å; Y131-V140 HydrophobicContact CD1-CG1 3.57Å; Y131-V140 HydrophobicContact CD1-CG2 4.14Å; Y131-V140 HydrophobicContact CE1-CB 3.92Å; Y131-V140 HydrophobicContact CE1-CG1 3.73Å; Y131-D141 VanDerWaalsContact CE1-OD1 3.25Å; Y131-D141 WeakPolarHBondContact CE1-OD1 3.24Å; Y131-D141 PolarHBondContact OH-OD1 2.75Å; Y131-D141 PolarHBondContact OH-OD2 3.21Å; Y131-R161 PolarHBondContact OH-NH2 3.43Å; Y131-D312 WeakPolarHBondContact CE2-O 3.31Å; Y131-Y314 HydrophobicContact CD2-CD1 4.42Å; Y131-Y314 HydrophobicContact CD2-CE1 4.49Å; Y131-Y314 HydrophobicContact CE2-CD1 4.3Å; Y131-Y314 AromaticContact CE2-CE1 3.99Å; Y131-Y314 HydrophobicContact CE2-CE1 3.99Å
132	T	95.7	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.			trans	-76.1	150.8	169.4	165.9	0	0	0	0	111.5	D134 L135 V140 F173 W213 R315	T132-D134 VanDerWaalsContact C-N 3.32Å; T132-D134 WeakPolarHBondContact OG1-CB 3.47Å; T132-D134 PolarHBondContact OG1-N 3.21Å; T132-D134 PolarHBondContact OG1-OD2 3.35Å; T132-L135 HydrophobicContact CG2-CB 4.17Å; T132-L135 HydrophobicContact CG2-CD1 4.37Å; T132-L135 HydrophobicContact CG2-CG 4.39Å; T132-V140 HydrophobicContact CG2-CG2 3.89Å; T132-F173 HydrophobicContact CG2-CE1 3.92Å; T132-F173 HydrophobicContact CG2-CE2 4.49Å; T132-F173 HydrophobicContact CG2-CZ 3.88Å; T132-W213 HydrophobicContact CG2-CB 4.02Å; T132-W213 HydrophobicContact CG2-CG 4.3Å; T132-R315 VanDerWaalsContact C-NH1 3.32Å; T132-R315 PolarHBondContact O-NH1 2.85Å; T132-R315 VanDerWaalsContact O-NH1 3.13Å
133	P	94.1	Very high	97.6	Very high	28 Å²	28	29.6 Å²	29.6	18%	0.182	15%	0.15	C	C	.	.	S	Bend	trans	-74.1	-15.6	167.1	30.4	-34.7	0	0	0	115.8	L135 R315 E334 T335	P133-L135 VanDerWaalsContact C-N 3.31Å; P133-L135 PolarHBondContact O-N 2.75Å; P133-R315 VanDerWaalsContact CA-CZ 3.46Å; P133-R315 VanDerWaalsContact CA-NH1 3.25Å; P133-E334 WeakPolarHBondContact O-CA 3.36Å; P133-T335 PolarHBondContact O-N 3.25Å
134	D	95.1	Very high	97.6	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.027	12%	0.116	C	C	.	.	S	Bend	trans	-76.7	-19.1	-172.8	-54	-46	0	0	0	113.7	T132 E211 L212 W213	T132-D134 VanDerWaalsContact C-N 3.32Å; T132-D134 WeakPolarHBondContact OG1-CB 3.47Å; T132-D134 PolarHBondContact OG1-N 3.21Å; T132-D134 PolarHBondContact OG1-OD2 3.35Å; D134-E211 VanDerWaalsContact OD2-O 3.07Å; D134-L212 HydrophobicContact CB-CD1 4.29Å; D134-W213 HydrophobicContact CB-CB 4.25Å; D134-W213 VanDerWaalsContact CB-O 3.28Å; D134-W213 WeakPolarHBondContact CB-O 3.47Å; D134-W213 PolarHBondContact OD2-N 2.66Å
135	L	97.2	Very high	97.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.132	C	C	.	.	S	Bend	trans	-133.3	143.7	-174.9	-62	173.9	0	0	0	109.8	T132 P133 T139 V140 W213 V220 L397	T132-L135 HydrophobicContact CG2-CB 4.17Å; T132-L135 HydrophobicContact CG2-CD1 4.37Å; T132-L135 HydrophobicContact CG2-CG 4.39Å; P133-L135 VanDerWaalsContact C-N 3.31Å; P133-L135 PolarHBondContact O-N 2.75Å; L135-T139 HydrophobicContact CB-CG2 4.49Å; L135-T139 HydrophobicContact CD1-CG2 4.47Å; L135-T139 HydrophobicContact CD2-CG2 4.18Å; L135-V140 HydrophobicContact CB-CG2 3.65Å; L135-V140 HydrophobicContact CD1-CG2 4.22Å; L135-W213 HydrophobicContact CD1-CB 4.17Å; L135-V220 HydrophobicContact CD2-CB 3.69Å; L135-V220 HydrophobicContact CD2-CG1 4.13Å; L135-V220 HydrophobicContact CD2-CG2 4.33Å; L135-L397 HydrophobicContact CD1-CB 4.18Å; L135-L397 HydrophobicContact CD1-CD2 3.93Å
136	D	97.9	Very high	97.6	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	14%	0.136	C	C	.	.			trans	-67.1	151.1	170.9	77.1	-78.9	0	0	0	111.6	E138 T139 V140 R222 E334	D136-E138 VanDerWaalsContact C-N 3.27Å; D136-E138 PolarHBondContact O-N 3.46Å; D136-E138 VanDerWaalsContact O-N 3.15Å; D136-E138 WeakPolarHBondContact OD2-CB 3.11Å; D136-E138 PolarHBondContact OD2-N 2.88Å; D136-T139 WeakPolarHBondContact O-CB 3.35Å; D136-T139 PolarHBondContact O-N 3.37Å; D136-T139 WeakPolarHBondContact OD1-CB 3.42Å; D136-T139 PolarHBondContact OD1-OG1 2.83Å; D136-V140 PolarHBondContact O-N 2.78Å; D136-V140 VanDerWaalsContact O-N 3.14Å; D136-R222 HydrophobicContact CB-CB 4.31Å; D136-R222 VanDerWaalsContact CG-CD 3.45Å; D136-R222 VanDerWaalsContact OD1-CD 3.26Å; D136-R222 WeakPolarHBondContact OD1-CD 2.94Å; D136-R222 WeakPolarHBondContact OD2-CD 3.23Å; D136-R222 IonicContact OD2-CZ 2.82Å; D136-R222 IonicContact OD2-NH1 2.88Å; D136-R222 PolarHBondContact OD2-NH1 3.33Å; D136-E334 HydrophobicContact CB-CB 4.37Å
137	P	97.9	Very high	97.6	Very high	18 Å²	18	25.2 Å²	25.2	12%	0.117	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-31.3	-172.7	-27.3	36	0	0	0	114.9	Y131 T139 V140 D141 Y314 P333	Y131-P137 HydrophobicContact CD1-CB 4Å; Y131-P137 HydrophobicContact CE1-CB 3.73Å; P137-T139 VanDerWaalsContact C-N 3.33Å; P137-V140 PolarHBondContact O-N 3.37Å; P137-D141 VanDerWaalsContact O-CB 3.29Å; P137-D141 WeakPolarHBondContact O-CB 3.16Å; P137-D141 PolarHBondContact O-N 3.43Å; P137-Y314 HydrophobicContact CB-CD1 4.47Å; P137-Y314 HydrophobicContact CB-CE1 3.71Å; P137-Y314 HydrophobicContact CG-CD1 4.14Å; P137-Y314 HydrophobicContact CG-CE1 3.82Å; P137-P333 WeakPolarHBondContact CD-O 3.43Å; P137-P333 HydrophobicContact CG-CB 4.29Å
138	E	98.1	Very high	97.6	Very high	121 Å²	121	24 Å²	24	57%	0.565	13%	0.127	S	C	*	.	H	α-helix	trans	-67.3	-37.4	177.6	-62	176.2	-155.8	0	0	111	D136 D141 D142 R222	D136-E138 VanDerWaalsContact C-N 3.27Å; D136-E138 PolarHBondContact O-N 3.46Å; D136-E138 VanDerWaalsContact O-N 3.15Å; D136-E138 WeakPolarHBondContact OD2-CB 3.11Å; D136-E138 PolarHBondContact OD2-N 2.88Å; E138-D141 PolarHBondContact O-N 3.1Å; E138-D142 VanDerWaalsContact O-CB 3.3Å; E138-D142 WeakPolarHBondContact O-CB 3.45Å; E138-D142 PolarHBondContact O-N 3.09Å; E138-R222 IonicContact OE1-NH1 3.26Å; E138-R222 IonicContact OE2-CZ 3.46Å; E138-R222 IonicContact OE2-NH1 2.83Å; E138-R222 PolarHBondContact OE2-NH1 3.01Å; E138-R222 IonicContact OE2-NH2 2.76Å; E138-R222 PolarHBondContact OE2-NH2 3Å
139	T	98.6	Very high	97.6	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-66.7	-41	175.2	-61.3	0	0	0	0	111.8	L135 D136 P137 A143 L215 Y232	L135-T139 HydrophobicContact CB-CG2 4.49Å; L135-T139 HydrophobicContact CD1-CG2 4.47Å; L135-T139 HydrophobicContact CD2-CG2 4.18Å; D136-T139 WeakPolarHBondContact O-CB 3.35Å; D136-T139 PolarHBondContact O-N 3.37Å; D136-T139 WeakPolarHBondContact OD1-CB 3.42Å; D136-T139 PolarHBondContact OD1-OG1 2.83Å; P137-T139 VanDerWaalsContact C-N 3.33Å; T139-A143 VanDerWaalsContact O-CB 3.25Å; T139-A143 WeakPolarHBondContact O-CB 3.5Å; T139-A143 PolarHBondContact O-N 3.06Å; T139-L215 HydrophobicContact CG2-CD1 4.4Å; T139-L215 HydrophobicContact CG2-CD2 4.11Å; T139-L215 HydrophobicContact CG2-CG 4.47Å; T139-Y232 PolarHBondContact OG1-OH 3.48Å
140	V	98.8	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-48	174.8	172.9	0	0	0	0	110.8	Y131 T132 L135 D136 P137 D142 A143 F144 F173 L397	Y131-V140 HydrophobicContact CD1-CB 3.77Å; Y131-V140 HydrophobicContact CD1-CG1 3.57Å; Y131-V140 HydrophobicContact CD1-CG2 4.14Å; Y131-V140 HydrophobicContact CE1-CB 3.92Å; Y131-V140 HydrophobicContact CE1-CG1 3.73Å; T132-V140 HydrophobicContact CG2-CG2 3.89Å; L135-V140 HydrophobicContact CB-CG2 3.65Å; L135-V140 HydrophobicContact CD1-CG2 4.22Å; D136-V140 PolarHBondContact O-N 2.78Å; D136-V140 VanDerWaalsContact O-N 3.14Å; P137-V140 PolarHBondContact O-N 3.37Å; V140-D142 VanDerWaalsContact C-N 3.35Å; V140-D142 PolarHBondContact O-N 3.47Å; V140-A143 PolarHBondContact O-N 2.98Å; V140-F144 HydrophobicContact CG1-CD2 3.71Å; V140-F144 HydrophobicContact CG1-CE2 3.28Å; V140-F144 HydrophobicContact CG1-CZ 4.09Å; V140-F144 VanDerWaalsContact O-CD2 3.29Å; V140-F144 WeakPolarHBondContact O-CD2 3.38Å; V140-F144 PolarHBondContact O-N 2.87Å; V140-F173 HydrophobicContact CG1-CE2 4.44Å; V140-L397 HydrophobicContact CB-CD2 4.27Å; V140-L397 HydrophobicContact CG1-CD2 4Å; V140-L397 HydrophobicContact CG2-CD2 4.07Å
141	D	98.7	Very high	97.8	Very high	30 Å²	30	25.9 Å²	25.9	16%	0.16	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-45.5	178.7	-70.7	-13.7	0	0	0	111.7	I128 Y131 P137 E138 A145 R161	I128-D141 WeakPolarHBondContact CD1-OD1 3.19Å; Y131-D141 VanDerWaalsContact CE1-OD1 3.25Å; Y131-D141 WeakPolarHBondContact CE1-OD1 3.24Å; Y131-D141 PolarHBondContact OH-OD1 2.75Å; Y131-D141 PolarHBondContact OH-OD2 3.21Å; P137-D141 VanDerWaalsContact O-CB 3.29Å; P137-D141 WeakPolarHBondContact O-CB 3.16Å; P137-D141 PolarHBondContact O-N 3.43Å; E138-D141 PolarHBondContact O-N 3.1Å; D141-A145 WeakPolarHBondContact O-CB 3.28Å; D141-A145 PolarHBondContact O-N 2.91Å; D141-R161 IonicContact OD1-CZ 2.72Å; D141-R161 IonicContact OD1-NH1 3.15Å; D141-R161 PolarHBondContact OD1-NH1 2.84Å; D141-R161 VanDerWaalsContact OD1-NH1 3.12Å; D141-R161 IonicContact OD1-NH2 3.94Å; D141-R161 PolarHBondContact OD1-NH2 3.44Å; D141-R161 IonicContact OD2-CZ 3.83Å; D141-R161 IonicContact OD2-NH1 2.68Å; D141-R161 PolarHBondContact OD2-NH1 2.56Å; D141-R161 IonicContact OD2-NH2 3.32Å
142	D	98.6	Very high	97.7	Very high	77 Å²	77	26 Å²	26	41%	0.412	14%	0.137	S	C	.	.	H	α-helix	trans	-64.9	-44.4	175.8	173.9	76.7	0	0	0	112.1	E138 V140 F144 A145 R146	E138-D142 VanDerWaalsContact O-CB 3.3Å; E138-D142 WeakPolarHBondContact O-CB 3.45Å; E138-D142 PolarHBondContact O-N 3.09Å; V140-D142 VanDerWaalsContact C-N 3.35Å; V140-D142 PolarHBondContact O-N 3.47Å; D142-F144 VanDerWaalsContact C-N 3.32Å; D142-F144 PolarHBondContact O-N 3.15Å; D142-A145 PolarHBondContact O-N 3.2Å; D142-R146 WeakPolarHBondContact O-CB 3.43Å; D142-R146 WeakPolarHBondContact O-CG 3.17Å; D142-R146 PolarHBondContact O-N 3.08Å; D142-R146 IonicContact OD1-NE 2.59Å; D142-R146 IonicContact OD2-CZ 2.76Å; D142-R146 IonicContact OD2-NE 3.81Å; D142-R146 PolarHBondContact OD2-NE 3.13Å; D142-R146 IonicContact OD2-NH2 3.26Å; D142-R146 PolarHBondContact OD2-NH2 3.25Å; D142-R146 VanDerWaalsContact OD2-NH2 3.07Å
143	A	98.7	Very high	97.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.2	-45.3	178.8	0	0	0	0	0	111.4	T139 V140 A147 L397 F398	T139-A143 VanDerWaalsContact O-CB 3.25Å; T139-A143 WeakPolarHBondContact O-CB 3.5Å; T139-A143 PolarHBondContact O-N 3.06Å; V140-A143 PolarHBondContact O-N 2.98Å; A143-A147 VanDerWaalsContact O-CB 3.29Å; A143-A147 WeakPolarHBondContact O-CB 3.39Å; A143-A147 PolarHBondContact O-N 2.94Å; A143-L397 HydrophobicContact CB-CB 4.39Å; A143-L397 HydrophobicContact CB-CD2 4.15Å; A143-L397 HydrophobicContact CB-CG 4.23Å; A143-F398 HydrophobicContact CB-CB 4.41Å
144	F	98.8	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.9	-41.8	175.4	-66	-41.5	0	0	0	112.6	I128 V140 D142 R146 A147 F148 I171 F173 F207 L397 A401 F405	I128-F144 HydrophobicContact CD1-CD2 3.66Å; I128-F144 HydrophobicContact CD1-CE2 4.31Å; I128-F144 HydrophobicContact CG1-CD2 4Å; I128-F144 HydrophobicContact CG1-CE2 4.37Å; I128-F144 HydrophobicContact CG2-CE2 4.48Å; V140-F144 HydrophobicContact CG1-CD2 3.71Å; V140-F144 HydrophobicContact CG1-CE2 3.28Å; V140-F144 HydrophobicContact CG1-CZ 4.09Å; V140-F144 VanDerWaalsContact O-CD2 3.29Å; V140-F144 WeakPolarHBondContact O-CD2 3.38Å; V140-F144 PolarHBondContact O-N 2.87Å; D142-F144 VanDerWaalsContact C-N 3.32Å; D142-F144 PolarHBondContact O-N 3.15Å; F144-R146 PolarHBondContact O-N 2.9Å; F144-A147 WeakPolarHBondContact O-CB 3.36Å; F144-A147 PolarHBondContact O-N 3.13Å; F144-F148 VanDerWaalsContact O-CD2 3.27Å; F144-F148 WeakPolarHBondContact O-CD2 3.29Å; F144-F148 PolarHBondContact O-N 2.62Å; F144-I171 HydrophobicContact CD2-CD1 4.32Å; F144-I171 HydrophobicContact CD2-CG2 4.25Å; F144-I171 HydrophobicContact CE1-CG2 4.04Å; F144-I171 HydrophobicContact CE2-CG2 3.58Å; F144-I171 HydrophobicContact CG-CD1 4.26Å; F144-I171 HydrophobicContact CZ-CG2 3.47Å; F144-I171 VanDerWaalsContact CZ-CG2 3.47Å; F144-F173 HydrophobicContact CE2-CE2 4.14Å; F144-F173 HydrophobicContact CE2-CZ 4.48Å; F144-F173 AromaticContact CZ-CE2 3.8Å; F144-F173 HydrophobicContact CZ-CE2 3.8Å; F144-F173 AromaticContact CZ-CZ 3.83Å; F144-F173 HydrophobicContact CZ-CZ 3.83Å; F144-F207 HydrophobicContact CE1-CD2 4.41Å; F144-F207 HydrophobicContact CE1-CE1 4.18Å; F144-F207 AromaticContact CE1-CE2 3.78Å; F144-F207 HydrophobicContact CE1-CE2 3.78Å; F144-F207 AromaticContact CE1-CZ 3.65Å; F144-F207 HydrophobicContact CE1-CZ 3.65Å; F144-F207 HydrophobicContact CZ-CD2 4.34Å; F144-F207 HydrophobicContact CZ-CE2 4.07Å; F144-F207 HydrophobicContact CZ-CZ 4.35Å; F144-L397 HydrophobicContact CE1-CD1 3.67Å; F144-L397 HydrophobicContact CE1-CD2 4.15Å; F144-L397 HydrophobicContact CE1-CG 3.93Å; F144-L397 HydrophobicContact CE2-CD2 4.49Å; F144-L397 HydrophobicContact CZ-CD1 3.9Å; F144-L397 HydrophobicContact CZ-CD2 4.02Å; F144-L397 HydrophobicContact CZ-CG 4.25Å; F144-A401 HydrophobicContact CD1-CB 3.53Å; F144-A401 HydrophobicContact CE1-CB 3.71Å; F144-F405 HydrophobicContact CB-CE2 4.22Å; F144-F405 HydrophobicContact CB-CZ 4.16Å; F144-F405 HydrophobicContact CD1-CE2 4.13Å; F144-F405 AromaticContact CD1-CZ 3.64Å; F144-F405 HydrophobicContact CD1-CZ 3.64Å; F144-F405 HydrophobicContact CE1-CZ 4.36Å; F144-F405 HydrophobicContact CG-CZ 4.15Å
145	A	98.7	Very high	97.6	Very high	41 Å²	41	30.1 Å²	30.1	34%	0.339	16%	0.158	S	C	.	.	H	α-helix	trans	-60.6	-44.8	177.1	0	0	0	0	0	111.9	D141 D142 A147 F148 Q149	D141-A145 WeakPolarHBondContact O-CB 3.28Å; D141-A145 PolarHBondContact O-N 2.91Å; D142-A145 PolarHBondContact O-N 3.2Å; A145-A147 VanDerWaalsContact C-N 3.35Å; A145-F148 PolarHBondContact O-N 2.94Å; A145-Q149 PolarHBondContact O-N 2.99Å
146	R	98.4	Very high	97.5	Very high	76 Å²	76	31.3 Å²	31.3	29%	0.287	17%	0.166	S	C	.	.	H	α-helix	trans	-63.7	-39.5	173.9	-72.9	-169.5	-70.6	119.3	-0.8	111.9	D142 F144 F148 Q149 V150 F398	D142-R146 WeakPolarHBondContact O-CB 3.43Å; D142-R146 WeakPolarHBondContact O-CG 3.17Å; D142-R146 PolarHBondContact O-N 3.08Å; D142-R146 IonicContact OD1-NE 2.59Å; D142-R146 IonicContact OD2-CZ 2.76Å; D142-R146 IonicContact OD2-NE 3.81Å; D142-R146 PolarHBondContact OD2-NE 3.13Å; D142-R146 IonicContact OD2-NH2 3.26Å; D142-R146 PolarHBondContact OD2-NH2 3.25Å; D142-R146 VanDerWaalsContact OD2-NH2 3.07Å; F144-R146 PolarHBondContact O-N 2.9Å; R146-F148 VanDerWaalsContact C-N 3.35Å; R146-F148 PolarHBondContact O-N 2.59Å; R146-Q149 WeakPolarHBondContact O-CB 2.98Å; R146-Q149 PolarHBondContact O-N 3.47Å; R146-Q149 VanDerWaalsContact O-N 3.12Å; R146-V150 WeakPolarHBondContact O-CG2 3.25Å; R146-V150 PolarHBondContact O-N 3.15Å; R146-V150 VanDerWaalsContact O-N 3.15Å; R146-F398 HydrophobicContact CB-CD2 3.74Å; R146-F398 HydrophobicContact CB-CE2 3.7Å
147	A	98.8	Very high	97.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-37.8	176.6	0	0	0	0	0	112.6	A143 F144 A145 V150 F398 A401 A402 F405	A143-A147 VanDerWaalsContact O-CB 3.29Å; A143-A147 WeakPolarHBondContact O-CB 3.39Å; A143-A147 PolarHBondContact O-N 2.94Å; F144-A147 WeakPolarHBondContact O-CB 3.36Å; F144-A147 PolarHBondContact O-N 3.13Å; A145-A147 VanDerWaalsContact C-N 3.35Å; A147-V150 WeakPolarHBondContact O-CB 3.29Å; A147-F398 HydrophobicContact CB-CD2 4.25Å; A147-A401 HydrophobicContact CB-CB 3.78Å; A147-A402 HydrophobicContact CB-CB 3.98Å; A147-F405 HydrophobicContact CB-CD2 3.68Å; A147-F405 HydrophobicContact CB-CE2 3.62Å
148	F	98.7	Very high	97.5	Very high	4 Å²	4	35 Å²	35	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-68	-36.9	169.9	-79.8	-58.6	0	0	0	112.4	Y126 F144 A145 R146 V150 W151 S152 F159 I169 I171 F405 M409	Y126-F148 AromaticContact CD1-CD2 3.94Å; Y126-F148 HydrophobicContact CD1-CD2 3.94Å; Y126-F148 AromaticContact CD1-CE2 3.59Å; Y126-F148 HydrophobicContact CD1-CE2 3.59Å; Y126-F148 HydrophobicContact CD1-CZ 4.15Å; Y126-F148 HydrophobicContact CD2-CD2 4.37Å; Y126-F148 AromaticContact CD2-CE2 3.58Å; Y126-F148 HydrophobicContact CD2-CE2 3.58Å; Y126-F148 HydrophobicContact CD2-CZ 4.34Å; Y126-F148 AromaticContact CE1-CD2 3.84Å; Y126-F148 HydrophobicContact CE1-CD2 3.84Å; Y126-F148 AromaticContact CE1-CE2 3.91Å; Y126-F148 HydrophobicContact CE1-CE2 3.91Å; Y126-F148 HydrophobicContact CE2-CD2 4.26Å; Y126-F148 AromaticContact CE2-CE2 3.87Å; Y126-F148 HydrophobicContact CE2-CE2 3.87Å; Y126-F148 HydrophobicContact CG-CD2 4.19Å; Y126-F148 AromaticContact CG-CE2 3.4Å; Y126-F148 HydrophobicContact CG-CE2 3.4Å; Y126-F148 VanDerWaalsContact CG-CE2 3.4Å; Y126-F148 AromaticContact CG-CZ 3.86Å; Y126-F148 HydrophobicContact CG-CZ 3.86Å; Y126-F148 AromaticContact CZ-CD2 3.98Å; F144-F148 VanDerWaalsContact O-CD2 3.27Å; F144-F148 WeakPolarHBondContact O-CD2 3.29Å; F144-F148 PolarHBondContact O-N 2.62Å; A145-F148 PolarHBondContact O-N 2.94Å; R146-F148 VanDerWaalsContact C-N 3.35Å; R146-F148 PolarHBondContact O-N 2.59Å; F148-V150 VanDerWaalsContact C-N 3.25Å; F148-V150 PolarHBondContact O-N 2.78Å; F148-W151 PolarHBondContact O-N 3.26Å; F148-W151 VanDerWaalsContact O-N 3.1Å; F148-S152 PolarHBondContact O-N 3.07Å; F148-S152 VanDerWaalsContact O-N 3.1Å; F148-F159 HydrophobicContact CB-CB 4.07Å; F148-F159 HydrophobicContact CB-CD2 3.63Å; F148-F159 HydrophobicContact CB-CE2 4.22Å; F148-F159 HydrophobicContact CB-CG 3.84Å; F148-F159 HydrophobicContact CD1-CB 4.21Å; F148-F159 AromaticContact CD1-CD1 3.41Å; F148-F159 HydrophobicContact CD1-CD1 3.41Å; F148-F159 VanDerWaalsContact CD1-CD1 3.41Å; F148-F159 AromaticContact CD1-CD2 3.81Å; F148-F159 HydrophobicContact CD1-CD2 3.81Å; F148-F159 AromaticContact CD1-CE1 3.62Å; F148-F159 HydrophobicContact CD1-CE1 3.62Å; F148-F159 AromaticContact CD1-CE2 3.98Å; F148-F159 HydrophobicContact CD1-CE2 3.98Å; F148-F159 AromaticContact CD1-CG 3.52Å; F148-F159 HydrophobicContact CD1-CG 3.52Å; F148-F159 AromaticContact CD1-CZ 3.89Å; F148-F159 HydrophobicContact CD1-CZ 3.89Å; F148-F159 HydrophobicContact CD2-CB 4.49Å; F148-F159 AromaticContact CE1-CD1 3.72Å; F148-F159 HydrophobicContact CE1-CD1 3.72Å; F148-F159 AromaticContact CE1-CE1 3.89Å; F148-F159 HydrophobicContact CE1-CE1 3.89Å; F148-F159 HydrophobicContact CE1-CG 4.25Å; F148-F159 HydrophobicContact CG-CB 4.02Å; F148-F159 HydrophobicContact CG-CD1 4.09Å; F148-F159 HydrophobicContact CG-CD2 4Å; F148-F159 AromaticContact CG-CG 3.75Å; F148-F159 HydrophobicContact CG-CG 3.75Å; F148-I169 HydrophobicContact CE1-CD1 3.66Å; F148-I169 HydrophobicContact CZ-CD1 3.9Å; F148-I169 HydrophobicContact CZ-CG2 4.31Å; F148-I171 HydrophobicContact CE2-CD1 4.05Å; F148-I171 HydrophobicContact CZ-CD1 4.31Å; F148-F405 HydrophobicContact CD1-CB 4.25Å; F148-F405 AromaticContact CD1-CD2 3.61Å; F148-F405 HydrophobicContact CD1-CD2 3.61Å; F148-F405 HydrophobicContact CD1-CE2 4.1Å; F148-F405 AromaticContact CD1-CG 3.96Å; F148-F405 HydrophobicContact CD1-CG 3.96Å; F148-F405 AromaticContact CD2-CD2 3.97Å; F148-F405 HydrophobicContact CD2-CD2 3.97Å; F148-F405 AromaticContact CD2-CE2 3.6Å; F148-F405 HydrophobicContact CD2-CE2 3.6Å; F148-F405 HydrophobicContact CD2-CZ 4.2Å; F148-F405 HydrophobicContact CE1-CB 4.04Å; F148-F405 AromaticContact CE1-CD1 3.89Å; F148-F405 HydrophobicContact CE1-CD1 3.89Å; F148-F405 AromaticContact CE1-CD2 3.57Å; F148-F405 HydrophobicContact CE1-CD2 3.57Å; F148-F405 HydrophobicContact CE1-CE1 4.25Å; F148-F405 AromaticContact CE1-CE2 3.94Å; F148-F405 HydrophobicContact CE1-CE2 3.94Å; F148-F405 AromaticContact CE1-CG 3.55Å; F148-F405 HydrophobicContact CE1-CG 3.55Å; F148-F405 HydrophobicContact CE1-CZ 4.27Å; F148-F405 AromaticContact CE2-CD2 3.94Å; F148-F405 HydrophobicContact CE2-CD2 3.94Å; F148-F405 HydrophobicContact CE2-CE1 4.15Å; F148-F405 AromaticContact CE2-CE2 3.42Å; F148-F405 HydrophobicContact CE2-CE2 3.42Å; F148-F405 VanDerWaalsContact CE2-CE2 3.42Å; F148-F405 AromaticContact CE2-CZ 3.56Å; F148-F405 HydrophobicContact CE2-CZ 3.56Å; F148-F405 AromaticContact CG-CD2 3.8Å; F148-F405 HydrophobicContact CG-CD2 3.8Å; F148-F405 AromaticContact CG-CE2 3.92Å; F148-F405 HydrophobicContact CG-CE2 3.92Å; F148-F405 AromaticContact CZ-CD1 3.83Å; F148-F405 HydrophobicContact CZ-CD1 3.83Å; F148-F405 AromaticContact CZ-CD2 3.74Å; F148-F405 HydrophobicContact CZ-CD2 3.74Å; F148-F405 AromaticContact CZ-CE1 3.7Å; F148-F405 HydrophobicContact CZ-CE1 3.7Å; F148-F405 AromaticContact CZ-CE2 3.6Å; F148-F405 HydrophobicContact CZ-CE2 3.6Å; F148-F405 AromaticContact CZ-CG 3.86Å; F148-F405 HydrophobicContact CZ-CG 3.86Å; F148-F405 AromaticContact CZ-CZ 3.59Å; F148-F405 HydrophobicContact CZ-CZ 3.59Å; F148-M409 HydrophobicContact CE1-CE 4.4Å
149	Q	97.5	Very high	97.5	Very high	98 Å²	98	31 Å²	31	46%	0.458	16%	0.158	S	C	.	.	H	α-helix	trans	-58	-40.6	-179.5	-172.6	175.9	6.2	0	0	111.8	A145 R146 W151 S152 D153	A145-Q149 PolarHBondContact O-N 2.99Å; R146-Q149 WeakPolarHBondContact O-CB 2.98Å; R146-Q149 PolarHBondContact O-N 3.47Å; R146-Q149 VanDerWaalsContact O-N 3.12Å; Q149-W151 PolarHBondContact O-N 3.04Å; Q149-W151 VanDerWaalsContact O-N 3.1Å; Q149-S152 WeakPolarHBondContact CA-OG 3.48Å; Q149-S152 PolarHBondContact O-N 2.93Å; Q149-S152 PolarHBondContact O-OG 2.85Å; Q149-S152 VanDerWaalsContact O-OG 3.06Å; Q149-D153 VanDerWaalsContact CG-OD1 3.3Å; Q149-D153 WeakPolarHBondContact CG-OD1 3.35Å; Q149-D153 PolarHBondContact NE2-OD1 2.82Å; Q149-D153 WeakPolarHBondContact O-CB 3.44Å; Q149-D153 VanDerWaalsContact O-CG 3.27Å; Q149-D153 PolarHBondContact O-N 2.77Å
150	V	97.4	Very high	97.5	Very high	19 Å²	19	33.5 Å²	33.5	12%	0.115	18%	0.176	C	C	.	.	H	α-helix	trans	-45.4	-43	174.7	166.9	0	0	0	0	112.2	R146 A147 F148 F398 A402 L420 F431 L433	R146-V150 WeakPolarHBondContact O-CG2 3.25Å; R146-V150 PolarHBondContact O-N 3.15Å; R146-V150 VanDerWaalsContact O-N 3.15Å; A147-V150 WeakPolarHBondContact O-CB 3.29Å; F148-V150 VanDerWaalsContact C-N 3.25Å; F148-V150 PolarHBondContact O-N 2.78Å; V150-F398 HydrophobicContact CG2-CE2 3.91Å; V150-F398 HydrophobicContact CG2-CZ 3.86Å; V150-A402 HydrophobicContact CG2-CB 4.48Å; V150-L420 HydrophobicContact CG1-CD2 4.2Å; V150-F431 HydrophobicContact CB-CE1 4.5Å; V150-F431 HydrophobicContact CG1-CE1 3.78Å; V150-F431 HydrophobicContact CG1-CZ 4.22Å; V150-F431 HydrophobicContact CG2-CD1 4.33Å; V150-F431 HydrophobicContact CG2-CE1 3.81Å; V150-L433 HydrophobicContact CG1-CB 4.35Å; V150-L433 HydrophobicContact CG1-CD1 3.25Å; V150-L433 HydrophobicContact CG1-CG 4.22Å; V150-L433 WeakPolarHBondContact O-CD1 3.02Å
151	W	97.6	Very high	97.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-84.2	-36.7	178.9	-58.3	113	0	0	0	113.2	F148 Q149 D153 V154 T155 F159 A402 G406 L411 L420 M421 L433 D437 I441	F148-W151 PolarHBondContact O-N 3.26Å; F148-W151 VanDerWaalsContact O-N 3.1Å; Q149-W151 PolarHBondContact O-N 3.04Å; Q149-W151 VanDerWaalsContact O-N 3.1Å; W151-D153 VanDerWaalsContact C-N 3.32Å; W151-D153 PolarHBondContact O-N 3.12Å; W151-V154 PolarHBondContact O-N 3.05Å; W151-T155 WeakPolarHBondContact O-CG2 3.4Å; W151-T155 PolarHBondContact O-N 3.29Å; W151-T155 PolarHBondContact O-OG1 3.29Å; W151-F159 HydrophobicContact CB-CE2 4.35Å; W151-A402 WeakPolarHBondContact CZ2-O 3.42Å; W151-A402 PolarHBondContact NE1-O 2.93Å; W151-G406 VanDerWaalsContact CZ2-CA 3.42Å; W151-L411 HydrophobicContact CE3-CD1 4.27Å; W151-L411 HydrophobicContact CH2-CD1 3.37Å; W151-L411 HydrophobicContact CZ2-CD1 4.14Å; W151-L411 HydrophobicContact CZ3-CD1 3.44Å; W151-L411 VanDerWaalsContact CZ3-CD1 3.44Å; W151-L420 HydrophobicContact CH2-CD2 4.04Å; W151-L420 HydrophobicContact CZ2-CD2 3.58Å; W151-M421 HydrophobicContact CH2-CG 4.11Å; W151-M421 HydrophobicContact CH2-SD 4Å; W151-M421 HydrophobicContact CZ2-SD 3.91Å; W151-L433 HydrophobicContact CD2-CD1 4.32Å; W151-L433 HydrophobicContact CE3-CD1 3.7Å; W151-L433 HydrophobicContact CH2-CD1 4.16Å; W151-L433 HydrophobicContact CZ3-CD1 3.6Å; W151-L433 HydrophobicContact CZ3-CG 4.37Å; W151-D437 HydrophobicContact CH2-CB 4.28Å; W151-D437 HydrophobicContact CZ3-CB 4.26Å; W151-I441 HydrophobicContact CE3-CB 3.98Å; W151-I441 HydrophobicContact CE3-CD1 4.17Å; W151-I441 HydrophobicContact CE3-CG1 3.89Å; W151-I441 HydrophobicContact CE3-CG2 4.09Å; W151-I441 HydrophobicContact CZ3-CB 4.04Å; W151-I441 HydrophobicContact CZ3-CG1 4.4Å; W151-I441 HydrophobicContact CZ3-CG2 4.23Å
152	S	96	Very high	97.4	Very high	22 Å²	22	37.4 Å²	37.4	15%	0.154	19%	0.191	C	C	.	.	H	α-helix	trans	-70.4	-26.1	-179.6	73.9	0	0	0	0	113.8	F148 Q149 V154 L157 R158	F148-S152 PolarHBondContact O-N 3.07Å; F148-S152 VanDerWaalsContact O-N 3.1Å; Q149-S152 WeakPolarHBondContact CA-OG 3.48Å; Q149-S152 PolarHBondContact O-N 2.93Å; Q149-S152 PolarHBondContact O-OG 2.85Å; Q149-S152 VanDerWaalsContact O-OG 3.06Å; S152-V154 PolarHBondContact O-N 3.04Å; S152-L157 VanDerWaalsContact CB-O 3.31Å; S152-L157 WeakPolarHBondContact CB-O 3.44Å; S152-R158 PolarHBondContact O-NH1 3.01Å; S152-R158 VanDerWaalsContact O-NH1 3.13Å
153	D	94.6	Very high	97.3	Very high	93 Å²	93	39.7 Å²	39.7	50%	0.497	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-29.7	178.6	-76.2	-9.2	0	0	0	111.6	Q149 W151	Q149-D153 VanDerWaalsContact CG-OD1 3.3Å; Q149-D153 WeakPolarHBondContact CG-OD1 3.35Å; Q149-D153 PolarHBondContact NE2-OD1 2.82Å; Q149-D153 WeakPolarHBondContact O-CB 3.44Å; Q149-D153 VanDerWaalsContact O-CG 3.27Å; Q149-D153 PolarHBondContact O-N 2.77Å; W151-D153 VanDerWaalsContact C-N 3.32Å; W151-D153 PolarHBondContact O-N 3.12Å
154	V	93.4	Very high	97.1	Very high	26 Å²	26	45.8 Å²	45.8	16%	0.158	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	2.2	-176	-61.1	0	0	0	0	113.9	W151 S152 L433 I438 I441 Q442 S448	W151-V154 PolarHBondContact O-N 3.05Å; S152-V154 PolarHBondContact O-N 3.04Å; V154-L433 HydrophobicContact CG2-CD1 4.45Å; V154-I438 HydrophobicContact CG1-CG1 4.35Å; V154-I441 HydrophobicContact CG2-CG2 3.84Å; V154-Q442 WeakPolarHBondContact O-CG 3.46Å; V154-Q442 PolarHBondContact O-NE2 2.87Å; V154-S448 PolarHBondContact O-N 3.03Å
155	T	94.3	Very high	97	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	-138.7	168.6	-178.2	67.1	0	0	0	0	113	W151 L157 R158 I441	W151-T155 WeakPolarHBondContact O-CG2 3.4Å; W151-T155 PolarHBondContact O-N 3.29Å; W151-T155 PolarHBondContact O-OG1 3.29Å; T155-L157 PolarHBondContact O-N 3.39Å; T155-L157 WeakPolarHBondContact OG1-CB 3.28Å; T155-L157 PolarHBondContact OG1-N 2.86Å; T155-R158 PolarHBondContact O-NH1 2.89Å; T155-R158 VanDerWaalsContact O-NH1 3.15Å; T155-I441 HydrophobicContact CG2-CB 4.26Å; T155-I441 HydrophobicContact CG2-CG1 3.59Å; T155-I441 HydrophobicContact CG2-CG2 3.75Å
156	P	96.4	Very high	96.9	Very high	25 Å²	25	52.6 Å²	52.6	16%	0.162	27%	0.266	C	S	.	.	S	Bend	trans	-73.1	-1.6	167.7	-16.6	30.6	0	0	0	114.8	G446 A447 P449	P156-G446 VanDerWaalsContact CD-O 3.29Å; P156-G446 WeakPolarHBondContact CD-O 3.35Å; P156-A447 WeakPolarHBondContact CD-O 3.26Å; P156-A447 WeakPolarHBondContact CG-O 3.44Å; P156-P449 HydrophobicContact CB-CG 4.04Å; P156-P449 HydrophobicContact CG-CG 4.25Å
157	L	97	Very high	96.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.			trans	-65.9	140.6	-177.9	-68.6	167.1	0	0	0	110.6	N122 I124 S152 T155 F159 M409 Y445	N122-L157 CarbonylContact O-C 3.57Å; N122-L157 WeakPolarHBondContact O-CA 3.4Å; I124-L157 HydrophobicContact CG1-CD2 4.12Å; S152-L157 VanDerWaalsContact CB-O 3.31Å; S152-L157 WeakPolarHBondContact CB-O 3.44Å; T155-L157 PolarHBondContact O-N 3.39Å; T155-L157 WeakPolarHBondContact OG1-CB 3.28Å; T155-L157 PolarHBondContact OG1-N 2.86Å; L157-F159 HydrophobicContact CB-CE2 4.06Å; L157-F159 HydrophobicContact CB-CZ 4Å; L157-F159 HydrophobicContact CD1-CZ 4.24Å; L157-M409 HydrophobicContact CD1-CG 4.11Å; L157-M409 HydrophobicContact CD1-SD 3.88Å; L157-Y445 HydrophobicContact CD1-CD1 4.03Å; L157-Y445 HydrophobicContact CD1-CD2 3.74Å; L157-Y445 HydrophobicContact CD1-CE1 4.25Å; L157-Y445 HydrophobicContact CD1-CE2 3.98Å; L157-Y445 HydrophobicContact CD1-CG 3.77Å; L157-Y445 HydrophobicContact CD2-CD1 3.71Å; L157-Y445 HydrophobicContact CD2-CE1 3.86Å; L157-Y445 HydrophobicContact CD2-CG 4.25Å; L157-Y445 HydrophobicContact CG-CD1 4Å; L157-Y445 HydrophobicContact CG-CD2 4.5Å; L157-Y445 HydrophobicContact CG-CE1 4.46Å; L157-Y445 HydrophobicContact CG-CG 4.02Å
158	R	97.6	Very high	96.8	Very high	99 Å²	99	50.7 Å²	50.7	37%	0.374	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.2	175.7	-61.8	-64.7	177.7	-106.6	8.8	108.8	N122 Q123 I124 S152 T155 D450	N122-R158 PolarHBondContact O-N 3.15Å; Q123-R158 WeakPolarHBondContact CA-O 3.34Å; I124-R158 PolarHBondContact N-O 3.13Å; S152-R158 PolarHBondContact O-NH1 3.01Å; S152-R158 VanDerWaalsContact O-NH1 3.13Å; T155-R158 PolarHBondContact O-NH1 2.89Å; T155-R158 VanDerWaalsContact O-NH1 3.15Å; R158-D450 IonicContact NH2-OD2 3.25Å; R158-D450 PolarHBondContact NH2-OD2 2.85Å
159	F	98.5	Very high	96.8	Very high	37 Å²	37	50.5 Å²	50.5	16%	0.162	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.4	-177.4	-58.1	-79	0	0	0	109.8	I124 Y126 F148 W151 L157 M409	I124-F159 HydrophobicContact CB-CD1 3.77Å; I124-F159 HydrophobicContact CB-CE1 3.89Å; I124-F159 HydrophobicContact CG1-CD1 4.47Å; I124-F159 HydrophobicContact CG1-CE1 4.14Å; I124-F159 HydrophobicContact CG2-CD1 4.13Å; I124-F159 HydrophobicContact CG2-CE1 4.16Å; I124-F159 CarbonylContact O-C 3.57Å; I124-F159 VanDerWaalsContact O-CA 3.31Å; I124-F159 WeakPolarHBondContact O-CA 3.22Å; Y126-F159 HydrophobicContact CD1-CB 4.13Å; Y126-F159 HydrophobicContact CE1-CB 4.16Å; F148-F159 HydrophobicContact CB-CB 4.07Å; F148-F159 HydrophobicContact CB-CD2 3.63Å; F148-F159 HydrophobicContact CB-CE2 4.22Å; F148-F159 HydrophobicContact CB-CG 3.84Å; F148-F159 HydrophobicContact CD1-CB 4.21Å; F148-F159 AromaticContact CD1-CD1 3.41Å; F148-F159 HydrophobicContact CD1-CD1 3.41Å; F148-F159 VanDerWaalsContact CD1-CD1 3.41Å; F148-F159 AromaticContact CD1-CD2 3.81Å; F148-F159 HydrophobicContact CD1-CD2 3.81Å; F148-F159 AromaticContact CD1-CE1 3.62Å; F148-F159 HydrophobicContact CD1-CE1 3.62Å; F148-F159 AromaticContact CD1-CE2 3.98Å; F148-F159 HydrophobicContact CD1-CE2 3.98Å; F148-F159 AromaticContact CD1-CG 3.52Å; F148-F159 HydrophobicContact CD1-CG 3.52Å; F148-F159 AromaticContact CD1-CZ 3.89Å; F148-F159 HydrophobicContact CD1-CZ 3.89Å; F148-F159 HydrophobicContact CD2-CB 4.49Å; F148-F159 AromaticContact CE1-CD1 3.72Å; F148-F159 HydrophobicContact CE1-CD1 3.72Å; F148-F159 AromaticContact CE1-CE1 3.89Å; F148-F159 HydrophobicContact CE1-CE1 3.89Å; F148-F159 HydrophobicContact CE1-CG 4.25Å; F148-F159 HydrophobicContact CG-CB 4.02Å; F148-F159 HydrophobicContact CG-CD1 4.09Å; F148-F159 HydrophobicContact CG-CD2 4Å; F148-F159 AromaticContact CG-CG 3.75Å; F148-F159 HydrophobicContact CG-CG 3.75Å; W151-F159 HydrophobicContact CB-CE2 4.35Å; L157-F159 HydrophobicContact CB-CE2 4.06Å; L157-F159 HydrophobicContact CB-CZ 4Å; L157-F159 HydrophobicContact CD1-CZ 4.24Å; F159-M409 HydrophobicContact CE1-CE 3.5Å; F159-M409 HydrophobicContact CE1-SD 3.68Å; F159-M409 HydrophobicContact CZ-CE 3.9Å; F159-M409 HydrophobicContact CZ-CG 4.42Å; F159-M409 HydrophobicContact CZ-SD 3.68Å
160	S	98.4	Very high	96.9	Very high	56 Å²	56	47 Å²	47	39%	0.392	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.2	179	53.9	0	0	0	0	110.7	I124 T125 Y126	I124-S160 PolarHBondContact O-N 3.47Å; I124-S160 PolarHBondContact O-OG 2.83Å; T125-S160 CarbonylContact C-O 2.75Å; T125-S160 VanDerWaalsContact CA-O 3.23Å; T125-S160 WeakPolarHBondContact CA-O 3.48Å; Y126-S160 PolarHBondContact N-O 3Å
161	R	98.4	Very high	96.9	Very high	65 Å²	65	46.1 Å²	46.1	25%	0.245	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.6	177.7	-169.7	178.7	174	-176.2	1.8	110.4	Y126 Y131 D141 H163	Y126-R161 HydrophobicContact CD1-CB 4.49Å; Y126-R161 HydrophobicContact CD2-CB 4.49Å; Y126-R161 HydrophobicContact CD2-CG 4.31Å; Y126-R161 HydrophobicContact CE1-CB 3.9Å; Y126-R161 HydrophobicContact CE2-CB 3.92Å; Y126-R161 HydrophobicContact CE2-CG 3.86Å; Y126-R161 CarbonylContact O-C 3.1Å; Y126-R161 VanDerWaalsContact O-CA 3.31Å; Y126-R161 WeakPolarHBondContact O-CA 3.36Å; Y131-R161 PolarHBondContact OH-NH2 3.43Å; D141-R161 IonicContact OD1-CZ 2.72Å; D141-R161 IonicContact OD1-NH1 3.15Å; D141-R161 PolarHBondContact OD1-NH1 2.84Å; D141-R161 VanDerWaalsContact OD1-NH1 3.12Å; D141-R161 IonicContact OD1-NH2 3.94Å; D141-R161 PolarHBondContact OD1-NH2 3.44Å; D141-R161 IonicContact OD2-CZ 3.83Å; D141-R161 IonicContact OD2-NH1 2.68Å; D141-R161 PolarHBondContact OD2-NH1 2.56Å; D141-R161 IonicContact OD2-NH2 3.32Å; R161-H163 PolarHBondContact NE-NE2 2.92Å
162	I	98.3	Very high	97	Very high	47 Å²	47	48.4 Å²	48.4	24%	0.241	25%	0.253	C	S	.	.			trans	-113.8	157.6	166.6	68.3	173.7	0	0	0	110.1	T125 Y126 R127 A167	T125-I162 HydrophobicContact CG2-CG2 3.95Å; Y126-I162 PolarHBondContact O-N 3.24Å; R127-I162 HydrophobicContact CB-CG1 4.19Å; I162-A167 HydrophobicContact CD1-CB 3.66Å; I162-A167 HydrophobicContact CG1-CB 3.83Å
163	H	96.5	Very high	97	Very high	126 Å²	126	48.2 Å²	48.2	58%	0.583	25%	0.25	S	C	*	.	S	Bend	trans	-118.8	-6.9	-172.3	-59	84.1	0	0	0	113.3	R161	R161-H163 PolarHBondContact NE-NE2 2.92Å
164	D	94.1	Very high	96.9	Very high	128 Å²	128	44.2 Å²	44.2	68%	0.684	23%	0.231	S	C	*	.	S	Bend	trans	-142.2	156.2	179.9	-166.4	-100.9	0	0	0	109.6
165	G	95.4	Very high	96.7	Very high	37 Å²	37	49.5 Å²	49.5	38%	0.381	25%	0.248	S	C	.	.	S	Bend	trans	70.4	-171.5	-176.2	0	0	0	0	0	114.9	R127	R127-G165 PolarHBondContact NH1-O 2.83Å
166	E	96.9	Very high	96.5	Very high	146 Å²	146	55 Å²	55	68%	0.682	27%	0.268	S	S	*	.			trans	-86.5	130.9	178	-165.8	172	-175.7	0	0	109.5
167	A	97.9	Very high	96.4	Very high	9 Å²	9	58.8 Å²	58.8	7%	0.074	28%	0.284	C	S	.	.			trans	-101.8	173.5	174.9	0	0	0	0	0	110.2	R127 I162 I169 M170	R127-A167 HydrophobicContact CB-CB 3.73Å; I162-A167 HydrophobicContact CD1-CB 3.66Å; I162-A167 HydrophobicContact CG1-CB 3.83Å; A167-I169 VanDerWaalsContact C-N 3.27Å; A167-M170 HydrophobicContact CB-SD 3.7Å; A167-M170 PolarHBondContact N-SD 3.08Å; A167-M170 VanDerWaalsContact N-SD 3.37Å
168	D	98.4	Very high	96.2	Very high	27 Å²	27	60.7 Å²	60.7	14%	0.144	29%	0.293	C	S	.	.	S	Bend	trans	-71.7	-26.6	171.5	-58.6	-52.7	0	0	0	112.7	W119 K121 I124 T125	W119-D168 HydrophobicContact CH2-CB 3.98Å; W119-D168 WeakPolarHBondContact CH2-O 3.38Å; W119-D168 HydrophobicContact CZ2-CB 4.17Å; W119-D168 HydrophobicContact CZ3-CB 4.42Å; K121-D168 VanDerWaalsContact CE-CG 3.46Å; K121-D168 VanDerWaalsContact CE-OD1 3.23Å; K121-D168 WeakPolarHBondContact CE-OD1 3.32Å; K121-D168 WeakPolarHBondContact CE-OD2 3.48Å; K121-D168 IonicContact NZ-OD1 3.28Å; K121-D168 PolarHBondContact NZ-OD1 3.45Å; K121-D168 IonicContact NZ-OD2 3.85Å; K121-D168 PolarHBondContact NZ-OD2 3.29Å; I124-D168 WeakPolarHBondContact CA-OD2 3.46Å; I124-D168 HydrophobicContact CG2-CB 3.67Å; T125-D168 PolarHBondContact N-OD2 3.35Å; T125-D168 VanDerWaalsContact O-CB 3.31Å; T125-D168 WeakPolarHBondContact O-CB 3.4Å; T125-D168 PolarHBondContact O-N 2.79Å; T125-D168 PolarHBondContact OG1-N 2.78Å; T125-D168 VanDerWaalsContact OG1-N 3.17Å; T125-D168 PolarHBondContact OG1-OD2 3.15Å
169	I	98.8	Very high	95.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	110.8	179.3	-60	168.8	0	0	0	107.9	I124 T125 Y126 R127 F148 A167 I171 G203 A408 M409	I124-I169 HydrophobicContact CG2-CD1 3.88Å; I124-I169 HydrophobicContact CG2-CG1 4.25Å; T125-I169 PolarHBondContact O-N 3.47Å; T125-I169 VanDerWaalsContact O-N 3.15Å; Y126-I169 CarbonylContact C-O 3.39Å; Y126-I169 VanDerWaalsContact CA-O 3.25Å; Y126-I169 WeakPolarHBondContact CA-O 3.42Å; R127-I169 PolarHBondContact N-O 3.3Å; F148-I169 HydrophobicContact CE1-CD1 3.66Å; F148-I169 HydrophobicContact CZ-CD1 3.9Å; F148-I169 HydrophobicContact CZ-CG2 4.31Å; A167-I169 VanDerWaalsContact C-N 3.27Å; I169-I171 HydrophobicContact CG2-CG1 3.97Å; I169-G203 WeakPolarHBondContact CG2-O 3.43Å; I169-A408 HydrophobicContact CD1-CB 4.13Å; I169-A408 HydrophobicContact CG1-CB 4.36Å; I169-M409 HydrophobicContact CD1-CE 3.49Å; I169-M409 VanDerWaalsContact CD1-CE 3.49Å
170	M	98.6	Very high	95.5	Very high	25 Å²	25	59.4 Å²	59.4	12%	0.123	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	125	169.5	-54.5	-57.8	-93.2	0	0	109.5	R127 I129 A167 D204 S205	R127-M170 HydrophobicContact CB-CE 4.41Å; R127-M170 HydrophobicContact CB-SD 3.93Å; R127-M170 HydrophobicContact CG-CE 4.43Å; I129-M170 HydrophobicContact CD1-CB 3.72Å; I129-M170 HydrophobicContact CD1-CE 3.44Å; I129-M170 VanDerWaalsContact CD1-CE 3.44Å; I129-M170 HydrophobicContact CD1-CG 4.16Å; I129-M170 HydrophobicContact CD1-SD 4.36Å; I129-M170 HydrophobicContact CG1-CB 4.35Å; I129-M170 HydrophobicContact CG1-CE 3.83Å; A167-M170 HydrophobicContact CB-SD 3.7Å; A167-M170 PolarHBondContact N-SD 3.08Å; A167-M170 VanDerWaalsContact N-SD 3.37Å; M170-D204 HydrophobicContact CB-CB 4.47Å; M170-D204 WeakPolarHBondContact CB-OD1 3.35Å; M170-D204 WeakPolarHBondContact CG-OD1 3.46Å; M170-D204 PolarHBondContact N-OD1 3.48Å; M170-D204 WeakPolarHBondContact O-CA 3.39Å; M170-S205 PolarHBondContact O-N 3.03Å
171	I	98.8	Very high	95.2	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.8	-179	-58.5	168.2	0	0	0	108.8	Y126 R127 I128 I129 G130 F144 F148 I169 S205 F207 F405	Y126-I171 HydrophobicContact CD2-CD1 3.78Å; Y126-I171 HydrophobicContact CE2-CD1 4.47Å; R127-I171 PolarHBondContact O-N 3.04Å; I128-I171 HydrophobicContact CG1-CB 4.42Å; I128-I171 HydrophobicContact CG1-CD1 4.15Å; I129-I171 PolarHBondContact N-O 3.23Å; G130-I171 PolarHBondContact N-O 3.14Å; F144-I171 HydrophobicContact CD2-CD1 4.32Å; F144-I171 HydrophobicContact CD2-CG2 4.25Å; F144-I171 HydrophobicContact CE1-CG2 4.04Å; F144-I171 HydrophobicContact CE2-CG2 3.58Å; F144-I171 HydrophobicContact CG-CD1 4.26Å; F144-I171 HydrophobicContact CZ-CG2 3.47Å; F144-I171 VanDerWaalsContact CZ-CG2 3.47Å; F148-I171 HydrophobicContact CE2-CD1 4.05Å; F148-I171 HydrophobicContact CZ-CD1 4.31Å; I169-I171 HydrophobicContact CG2-CG1 3.97Å; I171-S205 WeakPolarHBondContact CA-O 3.3Å; I171-F207 HydrophobicContact CG2-CD2 4.16Å; I171-F207 HydrophobicContact CG2-CE2 3.79Å; I171-F405 HydrophobicContact CD1-CE1 3.89Å; I171-F405 HydrophobicContact CD1-CZ 3.64Å; I171-F405 HydrophobicContact CG1-CE1 4.12Å; I171-F405 HydrophobicContact CG1-CZ 4.35Å
172	N	98.1	Very high	94.9	Very high	49 Å²	49	62.7 Å²	62.7	26%	0.262	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	156.2	-179.4	-162.3	30.9	0	0	0	112.9	G130 S205 H206 F207	G130-N172 VanDerWaalsContact CA-OD1 3.27Å; G130-N172 WeakPolarHBondContact CA-OD1 3.29Å; G130-N172 PolarHBondContact N-OD1 2.87Å; N172-S205 PolarHBondContact N-O 3.43Å; N172-H206 WeakPolarHBondContact O-CA 3.22Å; N172-F207 PolarHBondContact O-N 3.15Å
173	F	97.4	Very high	94.7	Very high	17 Å²	17	63.8 Å²	63.8	8%	0.075	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.2	170.6	-70.1	-99.5	0	0	0	108.5	G130 T132 V140 F144 F207 D209 W213 L397	G130-F173 WeakPolarHBondContact O-CD2 3.41Å; T132-F173 HydrophobicContact CG2-CE1 3.92Å; T132-F173 HydrophobicContact CG2-CE2 4.49Å; T132-F173 HydrophobicContact CG2-CZ 3.88Å; V140-F173 HydrophobicContact CG1-CE2 4.44Å; F144-F173 HydrophobicContact CE2-CE2 4.14Å; F144-F173 HydrophobicContact CE2-CZ 4.48Å; F144-F173 AromaticContact CZ-CE2 3.8Å; F144-F173 HydrophobicContact CZ-CE2 3.8Å; F144-F173 AromaticContact CZ-CZ 3.83Å; F144-F173 HydrophobicContact CZ-CZ 3.83Å; F173-F207 CarbonylContact C-O 3.59Å; F173-F207 VanDerWaalsContact CA-O 3.3Å; F173-F207 WeakPolarHBondContact CA-O 3.14Å; F173-F207 HydrophobicContact CD1-CB 3.57Å; F173-F207 HydrophobicContact CE1-CB 3.59Å; F173-F207 HydrophobicContact CE1-CG 4.19Å; F173-F207 HydrophobicContact CG-CB 4.19Å; F173-F207 HydrophobicContact CZ-CB 4.24Å; F173-F207 HydrophobicContact CZ-CG 4.41Å; F173-D209 HydrophobicContact CB-CB 4.05Å; F173-W213 AromaticContact CD1-NE1 3.66Å; F173-W213 AromaticContact CE1-CD1 3.67Å; F173-W213 HydrophobicContact CE1-CD2 4.08Å; F173-W213 AromaticContact CE1-CE2 3.82Å; F173-W213 AromaticContact CE1-CG 3.98Å; F173-W213 HydrophobicContact CE1-CG 3.98Å; F173-W213 AromaticContact CE1-NE1 3.52Å; F173-L397 HydrophobicContact CE1-CD1 4.1Å; F173-L397 HydrophobicContact CZ-CD1 3.77Å; F173-L397 HydrophobicContact CZ-CD2 4.06Å
174	G	91.8	Very high	94.6	Very high	10 Å²	10	58 Å²	58	10%	0.103	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	158.1	-176.3	0	0	0	0	0	111.2	F184 F207 D208 D209	G174-F184 WeakPolarHBondContact O-CD2 3.31Å; G174-F207 PolarHBondContact N-O 3.43Å; G174-D208 CarbonylContact O-C 3.57Å; G174-D208 WeakPolarHBondContact O-CA 3.41Å; G174-D209 PolarHBondContact O-N 2.89Å
175	R	88.6	Confident	94.4	Very high	136 Å²	136	54 Å²	54	51%	0.513	30%	0.295	S	S	.	.			trans	-117.9	146.1	179	-52.6	177.2	-146.8	-177.6	2.6	109.1	E177 D209 D210	R175-E177 CarbonylContact O-C 3.58Å; R175-E177 PolarHBondContact O-N 3.45Å; R175-D209 HydrophobicContact CG-CB 3.64Å; R175-D209 IonicContact CZ-OD2 3.26Å; R175-D209 VanDerWaalsContact CZ-OD2 3.28Å; R175-D209 IonicContact NE-OD2 3.87Å; R175-D209 PolarHBondContact NE-OD2 3.28Å; R175-D209 IonicContact NH2-OD2 3.38Å; R175-D209 PolarHBondContact NH2-OD2 3.3Å; R175-D210 WeakPolarHBondContact CD-OD1 3.48Å
176	W	90.4	Very high	94	Very high	115 Å²	115	52.4 Å²	52.4	44%	0.436	28%	0.278	S	S	.	.	S	Bend	trans	44	-124.7	176.1	-54.7	89.8	0	0	0	110.9	V41 H178 P183 F184 D185 D210	V41-W176 HydrophobicContact CG2-CH2 4.17Å; W176-H178 PolarHBondContact O-N 3.09Å; W176-H178 PolarHBondContact O-ND1 3.5Å; W176-P183 CarbonylContact O-C 3.44Å; W176-P183 WeakPolarHBondContact O-CA 3.41Å; W176-F184 PolarHBondContact O-N 3.39Å; W176-D185 VanDerWaalsContact CH2-C 3.45Å; W176-D185 WeakPolarHBondContact CH2-O 3.02Å; W176-D185 VanDerWaalsContact CZ3-C 3.48Å; W176-D185 WeakPolarHBondContact CZ3-O 3.38Å; W176-D210 PolarHBondContact NE1-OD2 3.08Å
177	E	93.8	Very high	93.4	Very high	106 Å²	106	47.1 Å²	47.1	50%	0.495	25%	0.253	S	S	.	.	S	Bend	trans	-72.4	112.7	169.3	-177.5	58.6	-115.7	0	0	111	R175 G179 G181 P183	R175-E177 CarbonylContact O-C 3.58Å; R175-E177 PolarHBondContact O-N 3.45Å; E177-G179 PolarHBondContact OE1-N 3.44Å; E177-G179 VanDerWaalsContact OE1-N 3.11Å; E177-G181 PolarHBondContact OE1-N 2.78Å; E177-P183 HydrophobicContact CB-CB 4.37Å
178	H	93.1	Very high	93	Very high	40 Å²	40	48.1 Å²	48.1	19%	0.185	26%	0.257	C	S	.	.			trans	-118.8	16.6	-175.4	53.3	-85.4	0	0	0	113.3	W176 D180 Y182 F184 H193 H206	W176-H178 PolarHBondContact O-N 3.09Å; W176-H178 PolarHBondContact O-ND1 3.5Å; H178-D180 IonicContact CD2-OD1 3.07Å; H178-D180 IonicContact CD2-OD2 2.69Å; H178-D180 IonicContact CE1-OD1 2.69Å; H178-D180 IonicContact NE2-OD1 2.72Å; H178-D180 IonicContact NE2-OD2 3.22Å; H178-D180 PolarHBondContact NE2-OD2 3.03Å; H178-Y182 PolarHBondContact CE1-O 2.9Å; H178-F184 AromaticContact CE1-CD2 3.41Å; H178-F184 VanDerWaalsContact CE1-CD2 3.41Å; H178-F184 WeakPolarHBondContact CE1-CD2 3.45Å; H178-F184 AromaticContact CE1-CE2 3.23Å; H178-F184 WeakPolarHBondContact CE1-CE2 3.49Å; H178-F184 AromaticContact CE1-CZ 3.71Å; H178-F184 AromaticContact ND1-CD2 3.42Å; H178-F184 WeakPolarHBondContact ND1-CD2 3.35Å; H178-F184 AromaticContact ND1-CE2 3.55Å; H178-F184 AromaticContact NE2-CE2 3.72Å; H178-H193 AromaticContact CE1-CE1 3.43Å; H178-H193 PolarHBondContact CE1-CE1 2.84Å; H178-H193 VanDerWaalsContact CE1-CE1 3.43Å; H178-H193 AromaticContact CE1-NE2 3.89Å; H178-H193 AromaticContact NE2-CE1 3.27Å; H178-H193 PolarHBondContact NE2-CE1 2.96Å; H178-H193 VanDerWaalsContact NE2-CE1 3.27Å; H178-H193 AromaticContact NE2-NE2 3.25Å; H178-H193 PolarHBondContact NE2-NE2 3.13Å; H178-H206 AromaticContact CD2-CG 3.87Å; H178-H206 AromaticContact CD2-ND1 3.56Å; H178-H206 AromaticContact NE2-CG 3.78Å; H178-H206 AromaticContact NE2-ND1 3.38Å; H178-H206 PolarHBondContact NE2-ND1 3.12Å
179	G	91.6	Very high	92.8	Very high	74 Å²	74	47.8 Å²	47.8	76%	0.763	26%	0.26	S	S	*	.	S	Bend	trans	107	6.2	163.6	0	0	0	0	0	115.7	E177	E177-G179 PolarHBondContact OE1-N 3.44Å; E177-G179 VanDerWaalsContact OE1-N 3.11Å
180	D	91.3	Very high	92.6	Very high	34 Å²	34	48.7 Å²	48.7	18%	0.182	27%	0.265	C	S	.	.	S	Bend	trans	-115.3	-2.8	177.2	66	8.6	0	0	0	113.6	H178 Y182 H193 F195 H206	H178-D180 IonicContact CD2-OD1 3.07Å; H178-D180 IonicContact CD2-OD2 2.69Å; H178-D180 IonicContact CE1-OD1 2.69Å; H178-D180 IonicContact NE2-OD1 2.72Å; H178-D180 IonicContact NE2-OD2 3.22Å; H178-D180 PolarHBondContact NE2-OD2 3.03Å; D180-Y182 VanDerWaalsContact C-N 3.33Å; D180-Y182 WeakPolarHBondContact O-CD2 3.49Å; D180-Y182 PolarHBondContact OD1-N 3.28Å; D180-H193 IonicContact OD2-CD2 3.66Å; D180-H193 IonicContact OD2-CE1 2.94Å; D180-H193 IonicContact OD2-NE2 3.4Å; D180-H193 PolarHBondContact OD2-NE2 3.48Å; D180-F195 HydrophobicContact CB-CE2 4.28Å; D180-F195 HydrophobicContact CB-CZ 4.02Å; D180-H206 IonicContact OD2-CE1 3.99Å; D180-H206 PolarHBondContact OD2-CE1 3.1Å; D180-H206 VanDerWaalsContact OD2-CE1 3.26Å; D180-H206 IonicContact OD2-ND1 2.75Å; D180-H206 PolarHBondContact OD2-ND1 3.1Å
181	G	91.6	Very high	92.6	Very high	49 Å²	49	47.7 Å²	47.7	51%	0.505	26%	0.26	S	S	.	.	S	Bend	trans	81	7.5	-179.4	0	0	0	0	0	114.9	E177 P183	E177-G181 PolarHBondContact OE1-N 2.78Å; G181-P183 WeakPolarHBondContact O-CD 3.3Å
182	Y	92.1	Very high	92.6	Very high	141 Å²	141	47.7 Å²	47.7	55%	0.553	26%	0.26	S	S	*	.			trans	-114.4	81.4	175.4	-64.2	-80.2	0	0	0	109.9	H178 D180 H193 F195	H178-Y182 PolarHBondContact CE1-O 2.9Å; D180-Y182 VanDerWaalsContact C-N 3.33Å; D180-Y182 WeakPolarHBondContact O-CD2 3.49Å; D180-Y182 PolarHBondContact OD1-N 3.28Å; Y182-H193 PolarHBondContact O-CE1 3.45Å; Y182-H193 VanDerWaalsContact O-CE1 3.3Å; Y182-F195 AromaticContact CD2-CE1 4Å; Y182-F195 HydrophobicContact CD2-CE1 4Å; Y182-F195 AromaticContact CD2-CZ 3.87Å; Y182-F195 HydrophobicContact CD2-CZ 3.87Å; Y182-F195 AromaticContact CE2-CE1 3.81Å; Y182-F195 HydrophobicContact CE2-CE1 3.81Å; Y182-F195 HydrophobicContact CE2-CZ 4.1Å
183	P	93.6	Very high	92.6	Very high	70 Å²	70	45.9 Å²	45.9	46%	0.455	25%	0.25	S	C	.	.			trans	-70.9	141.2	-172.1	28.3	-36	0	0	0	112.8	W176 E177 G181	W176-P183 CarbonylContact O-C 3.44Å; W176-P183 WeakPolarHBondContact O-CA 3.41Å; E177-P183 HydrophobicContact CB-CB 4.37Å; G181-P183 WeakPolarHBondContact O-CD 3.3Å
184	F	94.3	Very high	92.6	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.026	25%	0.247	C	C	.	.			trans	-70.5	175.9	163.9	-65.3	-56	0	0	0	112.3	G174 W176 H178 L190 H193 H206 D208	G174-F184 WeakPolarHBondContact O-CD2 3.31Å; W176-F184 PolarHBondContact O-N 3.39Å; H178-F184 AromaticContact CE1-CD2 3.41Å; H178-F184 VanDerWaalsContact CE1-CD2 3.41Å; H178-F184 WeakPolarHBondContact CE1-CD2 3.45Å; H178-F184 AromaticContact CE1-CE2 3.23Å; H178-F184 WeakPolarHBondContact CE1-CE2 3.49Å; H178-F184 AromaticContact CE1-CZ 3.71Å; H178-F184 AromaticContact ND1-CD2 3.42Å; H178-F184 WeakPolarHBondContact ND1-CD2 3.35Å; H178-F184 AromaticContact ND1-CE2 3.55Å; H178-F184 AromaticContact NE2-CE2 3.72Å; F184-L190 HydrophobicContact CD1-CB 4.05Å; F184-H193 AromaticContact CE1-ND1 3.85Å; F184-H206 HydrophobicContact CE2-CB 4.36Å; F184-H206 HydrophobicContact CZ-CB 4.06Å; F184-D208 HydrophobicContact CB-CB 4.26Å; F184-D208 VanDerWaalsContact CB-OD2 3.27Å; F184-D208 WeakPolarHBondContact CB-OD2 3.38Å; F184-D208 HydrophobicContact CD1-CB 3.99Å; F184-D208 HydrophobicContact CD2-CB 3.81Å; F184-D208 HydrophobicContact CE1-CB 4.29Å; F184-D208 HydrophobicContact CE2-CB 4.11Å; F184-D208 HydrophobicContact CG-CB 3.77Å; F184-D208 HydrophobicContact CZ-CB 4.35Å
185	D	89.3	Confident	92.8	Very high	44 Å²	44	46.2 Å²	46.2	24%	0.235	25%	0.249	C	C	.	.			trans	-122.6	11.6	-174	65.7	-25.3	0	0	0	115.9	W176 L190	W176-D185 VanDerWaalsContact CH2-C 3.45Å; W176-D185 WeakPolarHBondContact CH2-O 3.02Å; W176-D185 VanDerWaalsContact CZ3-C 3.48Å; W176-D185 WeakPolarHBondContact CZ3-O 3.38Å; D185-L190 VanDerWaalsContact OD1-CB 3.31Å; D185-L190 WeakPolarHBondContact OD1-CB 3.29Å; D185-L190 VanDerWaalsContact OD1-CG 3.26Å; D185-L190 WeakPolarHBondContact OD1-CG 3.37Å; D185-L190 PolarHBondContact OD1-N 3.39Å
186	G	86.8	Confident	93.1	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.031	23%	0.233	C	C	.	.	S	Bend	trans	88	-159.3	180	0	0	0	0	0	111.2	D188	G186-D188 PolarHBondContact O-N 3.07Å
187	K	86.2	Confident	93.3	Very high	35 Å²	35	36.3 Å²	36.3	15%	0.152	22%	0.218	C	C	.	.	S	Bend	trans	-62	134	-176.1	-176.4	172.3	173.1	57.1	0	114.1	V340 K372 F389 D392	K187-V340 HydrophobicContact CD-CG1 3.85Å; K187-K372 PolarHBondContact O-NZ 3.39Å; K187-F389 HydrophobicContact CD-CD2 4.48Å; K187-D392 WeakPolarHBondContact CE-OD2 3.36Å; K187-D392 IonicContact NZ-OD1 3.9Å; K187-D392 IonicContact NZ-OD2 3.87Å; K187-D392 PolarHBondContact NZ-OD2 3Å
188	D	89.6	Confident	93.3	Very high	30 Å²	30	32.9 Å²	32.9	16%	0.16	21%	0.212	C	C	.	.	S	Bend	trans	61.2	178.4	-169	-48.8	-52.5	0	0	0	112.7	G186 L190 E211 K372 Y395	G186-D188 PolarHBondContact O-N 3.07Å; D188-L190 PolarHBondContact O-N 2.87Å; D188-E211 VanDerWaalsContact C-OE1 3.24Å; D188-E211 WeakPolarHBondContact CA-OE1 3.27Å; D188-E211 PolarHBondContact N-OE1 2.84Å; D188-E211 PolarHBondContact N-OE2 2.59Å; D188-K372 WeakPolarHBondContact OD2-CE 3.15Å; D188-K372 IonicContact OD2-NZ 2.99Å; D188-K372 PolarHBondContact OD2-NZ 3.31Å; D188-Y395 PolarHBondContact OD1-OH 3.11Å
189	G	92.5	Very high	93.1	Very high	20 Å²	20	37.5 Å²	37.5	21%	0.206	24%	0.243	C	C	.	.	S	Bend	trans	86.1	-106.9	179.8	0	0	0	0	0	111.2	P100 R101	P100-G189 WeakPolarHBondContact CA-O 3.41Å; R101-G189 PolarHBondContact N-O 3.1Å
190	L	95.6	Very high	93.2	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.099	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-86	112	-179	-51.8	-170.6	0	0	0	110.8	F57 F184 D185 D188	F57-L190 HydrophobicContact CE1-CD2 3.94Å; F57-L190 HydrophobicContact CE2-CD2 4.43Å; F57-L190 HydrophobicContact CZ-CD2 3.36Å; F184-L190 HydrophobicContact CD1-CB 4.05Å; D185-L190 VanDerWaalsContact OD1-CB 3.31Å; D185-L190 WeakPolarHBondContact OD1-CB 3.29Å; D185-L190 VanDerWaalsContact OD1-CG 3.26Å; D185-L190 WeakPolarHBondContact OD1-CG 3.37Å; D185-L190 PolarHBondContact OD1-N 3.39Å; D188-L190 PolarHBondContact O-N 2.87Å
191	L	98.3	Very high	93.2	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	24%	0.244	C	C	.	.			trans	-83.3	-39.9	-175.1	-57.9	-175.4	0	0	0	113.7	P100 R101 D208 E211 W213 Y395 V400 Y425	P100-L191 HydrophobicContact CB-CD1 4.18Å; P100-L191 HydrophobicContact CB-CD2 4.04Å; P100-L191 HydrophobicContact CB-CG 4.23Å; R101-L191 PolarHBondContact O-N 3.21Å; L191-D208 PolarHBondContact O-N 2.82Å; L191-E211 HydrophobicContact CD2-CG 4.15Å; L191-E211 VanDerWaalsContact CD2-OE1 3.24Å; L191-E211 WeakPolarHBondContact CD2-OE1 3.37Å; L191-W213 HydrophobicContact CB-CH2 4.41Å; L191-W213 WeakPolarHBondContact O-CH2 3.49Å; L191-W213 WeakPolarHBondContact O-CZ2 3.29Å; L191-Y395 HydrophobicContact CD1-CD1 3.53Å; L191-Y395 HydrophobicContact CD1-CE1 3.97Å; L191-Y395 HydrophobicContact CD1-CG 3.91Å; L191-Y395 HydrophobicContact CD2-CD1 3.79Å; L191-Y395 HydrophobicContact CD2-CD2 3.56Å; L191-Y395 HydrophobicContact CD2-CE1 3.77Å; L191-Y395 HydrophobicContact CD2-CE2 3.54Å; L191-Y395 HydrophobicContact CD2-CG 3.7Å; L191-Y395 HydrophobicContact CG-CD1 4.33Å; L191-Y395 HydrophobicContact CG-CG 4.44Å; L191-V400 HydrophobicContact CB-CG1 4.26Å; L191-V400 HydrophobicContact CD1-CG2 3.98Å; L191-Y425 HydrophobicContact CD1-CD2 4.02Å; L191-Y425 HydrophobicContact CD1-CG 3.84Å
192	A	98.5	Very high	93.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	165.5	-172.1	0	0	0	0	0	109.7	G103 H206 F207 V400 E404	G103-A192 WeakPolarHBondContact CA-O 3.29Å; G103-A192 PolarHBondContact N-O 3.28Å; A192-H206 CarbonylContact C-O 3.6Å; A192-H206 WeakPolarHBondContact CA-O 3.33Å; A192-H206 WeakPolarHBondContact CB-O 3.28Å; A192-F207 HydrophobicContact CB-CD1 3.78Å; A192-F207 HydrophobicContact CB-CE1 4.2Å; A192-F207 HydrophobicContact CB-CG 4.26Å; A192-V400 HydrophobicContact CB-CG1 3.55Å; A192-E404 HydrophobicContact CB-CG 3.6Å
193	H	98.3	Very high	93.6	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.056	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.5	162.4	60.5	-131.1	0	0	0	111	H178 D180 Y182 F184 H206 E404	H178-H193 AromaticContact CE1-CE1 3.43Å; H178-H193 PolarHBondContact CE1-CE1 2.84Å; H178-H193 VanDerWaalsContact CE1-CE1 3.43Å; H178-H193 AromaticContact CE1-NE2 3.89Å; H178-H193 AromaticContact NE2-CE1 3.27Å; H178-H193 PolarHBondContact NE2-CE1 2.96Å; H178-H193 VanDerWaalsContact NE2-CE1 3.27Å; H178-H193 AromaticContact NE2-NE2 3.25Å; H178-H193 PolarHBondContact NE2-NE2 3.13Å; D180-H193 IonicContact OD2-CD2 3.66Å; D180-H193 IonicContact OD2-CE1 2.94Å; D180-H193 IonicContact OD2-NE2 3.4Å; D180-H193 PolarHBondContact OD2-NE2 3.48Å; Y182-H193 PolarHBondContact O-CE1 3.45Å; Y182-H193 VanDerWaalsContact O-CE1 3.3Å; F184-H193 AromaticContact CE1-ND1 3.85Å; H193-H206 AromaticContact CD2-ND1 3.79Å; H193-H206 PolarHBondContact N-O 2.95Å; H193-H206 AromaticContact NE2-CG 3.95Å; H193-H206 AromaticContact NE2-ND1 3.3Å; H193-H206 PolarHBondContact NE2-ND1 3.31Å; H193-H206 PolarHBondContact O-N 2.89Å; H193-E404 VanDerWaalsContact CA-OE2 3.22Å; H193-E404 WeakPolarHBondContact CA-OE2 3.25Å
194	A	97.4	Very high	93.8	Very high	2 Å²	2	27.4 Å²	27.4	2%	0.017	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.6	170.3	0	0	0	0	0	112.1	N104 D204 E404 H407	N104-A194 PolarHBondContact ND2-O 3.38Å; N104-A194 PolarHBondContact OD1-O 2.76Å; A194-D204 CarbonylContact C-O 3.59Å; A194-D204 WeakPolarHBondContact CA-O 3.23Å; A194-D204 WeakPolarHBondContact CB-O 3.38Å; A194-E404 HydrophobicContact CB-CB 3.93Å; A194-E404 WeakPolarHBondContact CB-O 3.35Å; A194-E404 PolarHBondContact N-OE2 3.38Å; A194-H407 HydrophobicContact CB-CB 4.02Å
195	F	96	Very high	94	Very high	32 Å²	32	27.1 Å²	27.1	14%	0.14	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-83.9	146.3	174.7	-63.7	-77.6	0	0	0	111	D180 Y182 V201 G203 D204 H206	D180-F195 HydrophobicContact CB-CE2 4.28Å; D180-F195 HydrophobicContact CB-CZ 4.02Å; Y182-F195 AromaticContact CD2-CE1 4Å; Y182-F195 HydrophobicContact CD2-CE1 4Å; Y182-F195 AromaticContact CD2-CZ 3.87Å; Y182-F195 HydrophobicContact CD2-CZ 3.87Å; Y182-F195 AromaticContact CE2-CE1 3.81Å; Y182-F195 HydrophobicContact CE2-CE1 3.81Å; Y182-F195 HydrophobicContact CE2-CZ 4.1Å; F195-V201 VanDerWaalsContact CB-O 3.29Å; F195-V201 WeakPolarHBondContact CB-O 3.35Å; F195-V201 HydrophobicContact CD2-CB 4.28Å; F195-V201 WeakPolarHBondContact CD2-O 3.49Å; F195-V201 HydrophobicContact CE2-CB 4.45Å; F195-G203 VanDerWaalsContact O-CA 3.28Å; F195-G203 WeakPolarHBondContact O-CA 3.49Å; F195-G203 PolarHBondContact O-N 3.41Å; F195-G203 VanDerWaalsContact O-N 3.14Å; F195-D204 HydrophobicContact CD2-CB 4.29Å; F195-D204 PolarHBondContact N-O 3.08Å; F195-H206 AromaticContact CE2-CE1 3.94Å
196	A	94.6	Very high	94.4	Very high	21 Å²	21	26 Å²	26	17%	0.174	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-62	160.5	172.5	0	0	0	0	0	112	P117 G198 G202 G203	P117-A196 HydrophobicContact CB-CB 3.82Å; P117-A196 HydrophobicContact CG-CB 4.14Å; A196-G198 PolarHBondContact O-N 2.94Å; A196-G202 CarbonylContact O-C 3.54Å; A196-G202 VanDerWaalsContact O-CA 3.28Å; A196-G202 WeakPolarHBondContact O-CA 3.28Å; A196-G203 PolarHBondContact O-N 3.05Å; A196-G203 VanDerWaalsContact O-N 3.1Å
197	P	95.9	Very high	95	Very high	21 Å²	21	25.9 Å²	25.9	14%	0.136	17%	0.172	C	C	.	.	S	Bend	trans	-48.6	130.8	179.1	-28.3	30.4	0	0	0	113.6	P117 W119 A408 M409 G410	P117-P197 HydrophobicContact CB-CG 4.49Å; W119-P197 HydrophobicContact CD2-CB 3.78Å; W119-P197 HydrophobicContact CD2-CG 4.41Å; W119-P197 HydrophobicContact CE3-CB 4.2Å; W119-P197 HydrophobicContact CG-CB 4.1Å; W119-P197 HydrophobicContact CG-CG 4.35Å; W119-P197 HydrophobicContact CZ2-CB 4.12Å; P197-A408 WeakPolarHBondContact CG-O 3.11Å; P197-M409 VanDerWaalsContact CG-C 3.48Å; P197-G410 VanDerWaalsContact CD-CA 3.4Å; P197-G410 VanDerWaalsContact CD-N 3.3Å
198	G	92.1	Very high	95.5	Very high	35 Å²	35	24.2 Å²	24.2	36%	0.361	17%	0.165	S	C	.	.			trans	-176.2	-168.3	-179	0	0	0	0	0	113.7	W119 A196	W119-G198 WeakPolarHBondContact CH2-O 3.06Å; W119-G198 WeakPolarHBondContact CZ3-O 3.18Å; A196-G198 PolarHBondContact O-N 2.94Å
199	T	90.3	Very high	95.7	Very high	137 Å²	137	24.1 Å²	24.1	84%	0.84	16%	0.164	S	C	*	.	S	Bend	trans	-97.2	150.8	174.4	55.4	0	0	0	0	110.6	V201	T199-V201 PolarHBondContact O-N 3.31Å
200	G	92.5	Very high	95.5	Very high	45 Å²	45	25.3 Å²	25.3	46%	0.464	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-119.1	-177.8	0	0	0	0	0	109.5	G202	G200-G202 PolarHBondContact O-N 2.88Å; G200-G202 VanDerWaalsContact O-N 3.11Å
201	V	92.4	Very high	95.4	Very high	82 Å²	82	24.5 Å²	24.5	50%	0.497	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-7.2	-179.1	-57.7	0	0	0	0	114.8	F195 T199 G203 D204	F195-V201 VanDerWaalsContact CB-O 3.29Å; F195-V201 WeakPolarHBondContact CB-O 3.35Å; F195-V201 HydrophobicContact CD2-CB 4.28Å; F195-V201 WeakPolarHBondContact CD2-O 3.49Å; F195-V201 HydrophobicContact CE2-CB 4.45Å; T199-V201 PolarHBondContact O-N 3.31Å; V201-G203 PolarHBondContact O-N 3.03Å; V201-D204 WeakPolarHBondContact CA-OD2 3.39Å; V201-D204 WeakPolarHBondContact O-CB 3.43Å; V201-D204 PolarHBondContact O-N 2.92Å; V201-D204 VanDerWaalsContact O-N 3.15Å
202	G	94.9	Very high	95.2	Very high	9 Å²	9	24.4 Å²	24.4	9%	0.093	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	117.4	-177.5	0	0	0	0	0	111.7	W119 A196 G200	W119-G202 WeakPolarHBondContact CH2-O 3.17Å; A196-G202 CarbonylContact O-C 3.54Å; A196-G202 VanDerWaalsContact O-CA 3.28Å; A196-G202 WeakPolarHBondContact O-CA 3.28Å; G200-G202 PolarHBondContact O-N 2.88Å; G200-G202 VanDerWaalsContact O-N 3.11Å
203	G	95.9	Very high	95.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.3	-20.1	-172.7	0	0	0	0	0	113.6	I169 F195 A196 V201 S205 A408	I169-G203 WeakPolarHBondContact CG2-O 3.43Å; F195-G203 VanDerWaalsContact O-CA 3.28Å; F195-G203 WeakPolarHBondContact O-CA 3.49Å; F195-G203 PolarHBondContact O-N 3.41Å; F195-G203 VanDerWaalsContact O-N 3.14Å; A196-G203 PolarHBondContact O-N 3.05Å; A196-G203 VanDerWaalsContact O-N 3.1Å; V201-G203 PolarHBondContact O-N 3.03Å; G203-S205 PolarHBondContact O-OG 3.06Å; G203-A408 VanDerWaalsContact O-CB 3.27Å; G203-A408 WeakPolarHBondContact O-CB 3.25Å
204	D	98.3	Very high	95.1	Very high	19 Å²	19	23.8 Å²	23.8	10%	0.102	16%	0.158	C	C	.	.			trans	-61.2	142.2	-177.8	-70.3	-6.8	0	0	0	111.4	M170 A194 F195 V201	M170-D204 HydrophobicContact CB-CB 4.47Å; M170-D204 WeakPolarHBondContact CB-OD1 3.35Å; M170-D204 WeakPolarHBondContact CG-OD1 3.46Å; M170-D204 PolarHBondContact N-OD1 3.48Å; M170-D204 WeakPolarHBondContact O-CA 3.39Å; A194-D204 CarbonylContact C-O 3.59Å; A194-D204 WeakPolarHBondContact CA-O 3.23Å; A194-D204 WeakPolarHBondContact CB-O 3.38Å; F195-D204 HydrophobicContact CD2-CB 4.29Å; F195-D204 PolarHBondContact N-O 3.08Å; V201-D204 WeakPolarHBondContact CA-OD2 3.39Å; V201-D204 WeakPolarHBondContact O-CB 3.43Å; V201-D204 PolarHBondContact O-N 2.92Å; V201-D204 VanDerWaalsContact O-N 3.15Å
205	S	98.6	Very high	95.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.9	-175.5	-57	0	0	0	0	109.9	M170 I171 N172 G203	M170-S205 PolarHBondContact O-N 3.03Å; I171-S205 WeakPolarHBondContact CA-O 3.3Å; N172-S205 PolarHBondContact N-O 3.43Å; G203-S205 PolarHBondContact O-OG 3.06Å
206	H	98.6	Very high	95	Very high	21 Å²	21	24.8 Å²	24.8	10%	0.097	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.4	-176.6	-58	151.6	0	0	0	110.4	N172 H178 D180 F184 A192 H193 F195	N172-H206 WeakPolarHBondContact O-CA 3.22Å; H178-H206 AromaticContact CD2-CG 3.87Å; H178-H206 AromaticContact CD2-ND1 3.56Å; H178-H206 AromaticContact NE2-CG 3.78Å; H178-H206 AromaticContact NE2-ND1 3.38Å; H178-H206 PolarHBondContact NE2-ND1 3.12Å; D180-H206 IonicContact OD2-CE1 3.99Å; D180-H206 PolarHBondContact OD2-CE1 3.1Å; D180-H206 VanDerWaalsContact OD2-CE1 3.26Å; D180-H206 IonicContact OD2-ND1 2.75Å; D180-H206 PolarHBondContact OD2-ND1 3.1Å; F184-H206 HydrophobicContact CE2-CB 4.36Å; F184-H206 HydrophobicContact CZ-CB 4.06Å; A192-H206 CarbonylContact C-O 3.6Å; A192-H206 WeakPolarHBondContact CA-O 3.33Å; A192-H206 WeakPolarHBondContact CB-O 3.28Å; H193-H206 AromaticContact CD2-ND1 3.79Å; H193-H206 PolarHBondContact N-O 2.95Å; H193-H206 AromaticContact NE2-CG 3.95Å; H193-H206 AromaticContact NE2-ND1 3.3Å; H193-H206 PolarHBondContact NE2-ND1 3.31Å; H193-H206 PolarHBondContact O-N 2.89Å; F195-H206 AromaticContact CE2-CE1 3.94Å
207	F	98.7	Very high	94.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.4	-178.9	-62.8	-96.1	0	0	0	109.1	F144 I171 N172 F173 G174 A192 D209 W213 L397 V400 A401 E404	F144-F207 HydrophobicContact CE1-CD2 4.41Å; F144-F207 HydrophobicContact CE1-CE1 4.18Å; F144-F207 AromaticContact CE1-CE2 3.78Å; F144-F207 HydrophobicContact CE1-CE2 3.78Å; F144-F207 AromaticContact CE1-CZ 3.65Å; F144-F207 HydrophobicContact CE1-CZ 3.65Å; F144-F207 HydrophobicContact CZ-CD2 4.34Å; F144-F207 HydrophobicContact CZ-CE2 4.07Å; F144-F207 HydrophobicContact CZ-CZ 4.35Å; I171-F207 HydrophobicContact CG2-CD2 4.16Å; I171-F207 HydrophobicContact CG2-CE2 3.79Å; N172-F207 PolarHBondContact O-N 3.15Å; F173-F207 CarbonylContact C-O 3.59Å; F173-F207 VanDerWaalsContact CA-O 3.3Å; F173-F207 WeakPolarHBondContact CA-O 3.14Å; F173-F207 HydrophobicContact CD1-CB 3.57Å; F173-F207 HydrophobicContact CE1-CB 3.59Å; F173-F207 HydrophobicContact CE1-CG 4.19Å; F173-F207 HydrophobicContact CG-CB 4.19Å; F173-F207 HydrophobicContact CZ-CB 4.24Å; F173-F207 HydrophobicContact CZ-CG 4.41Å; G174-F207 PolarHBondContact N-O 3.43Å; A192-F207 HydrophobicContact CB-CD1 3.78Å; A192-F207 HydrophobicContact CB-CE1 4.2Å; A192-F207 HydrophobicContact CB-CG 4.26Å; F207-D209 PolarHBondContact O-N 3.26Å; F207-W213 HydrophobicContact CB-CH2 4.29Å; F207-W213 HydrophobicContact CB-CZ2 3.7Å; F207-W213 AromaticContact CD1-CH2 3.77Å; F207-W213 HydrophobicContact CD1-CH2 3.77Å; F207-W213 HydrophobicContact CD1-CZ2 4.06Å; F207-W213 HydrophobicContact CD1-CZ3 4.27Å; F207-W213 HydrophobicContact CG-CZ2 4.39Å; F207-L397 HydrophobicContact CD1-CD1 3.83Å; F207-L397 HydrophobicContact CE1-CD1 3.98Å; F207-L397 HydrophobicContact CG-CD1 4.4Å; F207-V400 HydrophobicContact CD1-CG1 4.18Å; F207-V400 HydrophobicContact CE1-CB 4.49Å; F207-V400 HydrophobicContact CE1-CG1 4.05Å; F207-A401 HydrophobicContact CE1-CB 3.83Å; F207-A401 HydrophobicContact CZ-CB 3.7Å; F207-E404 HydrophobicContact CE1-CG 4.26Å; F207-E404 HydrophobicContact CZ-CB 4.35Å; F207-E404 HydrophobicContact CZ-CG 4.34Å
208	D	97.1	Very high	94.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	117	-179.4	-168.3	-7.4	0	0	0	110.9	G174 F184 L191 D210 E211 W213	G174-D208 CarbonylContact O-C 3.57Å; G174-D208 WeakPolarHBondContact O-CA 3.41Å; F184-D208 HydrophobicContact CB-CB 4.26Å; F184-D208 VanDerWaalsContact CB-OD2 3.27Å; F184-D208 WeakPolarHBondContact CB-OD2 3.38Å; F184-D208 HydrophobicContact CD1-CB 3.99Å; F184-D208 HydrophobicContact CD2-CB 3.81Å; F184-D208 HydrophobicContact CE1-CB 4.29Å; F184-D208 HydrophobicContact CE2-CB 4.11Å; F184-D208 HydrophobicContact CG-CB 3.77Å; F184-D208 HydrophobicContact CZ-CB 4.35Å; L191-D208 PolarHBondContact O-N 2.82Å; D208-D210 VanDerWaalsContact C-N 3.25Å; D208-D210 PolarHBondContact O-N 2.9Å; D208-D210 PolarHBondContact OD1-N 3.29Å; D208-E211 HydrophobicContact CB-CG 3.95Å; D208-E211 WeakPolarHBondContact O-CB 3.3Å; D208-E211 PolarHBondContact O-N 2.85Å; D208-W213 PolarHBondContact O-NE1 3.21Å
209	D	93.3	Very high	94.9	Very high	28 Å²	28	26.7 Å²	26.7	15%	0.15	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.4	-179.2	-170.2	59	0	0	0	112.7	F173 G174 R175 F207 E211	F173-D209 HydrophobicContact CB-CB 4.05Å; G174-D209 PolarHBondContact O-N 2.89Å; R175-D209 HydrophobicContact CG-CB 3.64Å; R175-D209 IonicContact CZ-OD2 3.26Å; R175-D209 VanDerWaalsContact CZ-OD2 3.28Å; R175-D209 IonicContact NE-OD2 3.87Å; R175-D209 PolarHBondContact NE-OD2 3.28Å; R175-D209 IonicContact NH2-OD2 3.38Å; R175-D209 PolarHBondContact NH2-OD2 3.3Å; F207-D209 PolarHBondContact O-N 3.26Å; D209-E211 VanDerWaalsContact C-N 3.3Å
210	D	89.3	Confident	95.2	Very high	45 Å²	45	21 Å²	21	24%	0.241	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.7	168.6	-78.4	-37.3	0	0	0	112.9	R175 W176 D208	R175-D210 WeakPolarHBondContact CD-OD1 3.48Å; W176-D210 PolarHBondContact NE1-OD2 3.08Å; D208-D210 VanDerWaalsContact C-N 3.25Å; D208-D210 PolarHBondContact O-N 2.9Å; D208-D210 PolarHBondContact OD1-N 3.29Å
211	E	93.2	Very high	95.4	Very high	3 Å²	3	19 Å²	19	1%	0.014	11%	0.105	C	C	.	.	S	Bend	trans	-83.4	153.9	174.7	-63.3	-66	-167.2	0	0	113.5	D134 D188 L191 D208 D209 W213 Y395	D134-E211 VanDerWaalsContact OD2-O 3.07Å; D188-E211 VanDerWaalsContact C-OE1 3.24Å; D188-E211 WeakPolarHBondContact CA-OE1 3.27Å; D188-E211 PolarHBondContact N-OE1 2.84Å; D188-E211 PolarHBondContact N-OE2 2.59Å; L191-E211 HydrophobicContact CD2-CG 4.15Å; L191-E211 VanDerWaalsContact CD2-OE1 3.24Å; L191-E211 WeakPolarHBondContact CD2-OE1 3.37Å; D208-E211 HydrophobicContact CB-CG 3.95Å; D208-E211 WeakPolarHBondContact O-CB 3.3Å; D208-E211 PolarHBondContact O-N 2.85Å; D209-E211 VanDerWaalsContact C-N 3.3Å; E211-W213 HydrophobicContact CB-CZ2 4.2Å; E211-W213 PolarHBondContact O-N 2.82Å; E211-Y395 HydrophobicContact CB-CD2 4.21Å; E211-Y395 HydrophobicContact CG-CD2 4.3Å; E211-Y395 HydrophobicContact CG-CE2 4.48Å; E211-Y395 WeakPolarHBondContact OE2-CE2 3.37Å
212	L	94.4	Very high	95.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.			trans	-85.2	100.6	168.4	178.3	65.8	0	0	0	108.7	D134 T214 V340 P391 G394 Y395	D134-L212 HydrophobicContact CB-CD1 4.29Å; L212-T214 HydrophobicContact CD2-CG2 4.18Å; L212-T214 HydrophobicContact CG-CG2 3.84Å; L212-V340 HydrophobicContact CB-CG1 4.45Å; L212-V340 HydrophobicContact CB-CG2 4.39Å; L212-V340 HydrophobicContact CD1-CG2 4.15Å; L212-V340 HydrophobicContact CD2-CG2 4.18Å; L212-V340 HydrophobicContact CG-CG2 4.47Å; L212-P391 HydrophobicContact CD2-CB 3.98Å; L212-G394 WeakPolarHBondContact O-CA 3.13Å; L212-Y395 PolarHBondContact O-N 2.69Å
213	W	97.4	Very high	95.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	124	177.8	-68.4	99.3	0	0	0	111.2	T132 D134 L135 F173 L191 F207 D208 E211 L397 V400	T132-W213 HydrophobicContact CG2-CB 4.02Å; T132-W213 HydrophobicContact CG2-CG 4.3Å; D134-W213 HydrophobicContact CB-CB 4.25Å; D134-W213 VanDerWaalsContact CB-O 3.28Å; D134-W213 WeakPolarHBondContact CB-O 3.47Å; D134-W213 PolarHBondContact OD2-N 2.66Å; L135-W213 HydrophobicContact CD1-CB 4.17Å; F173-W213 AromaticContact CD1-NE1 3.66Å; F173-W213 AromaticContact CE1-CD1 3.67Å; F173-W213 HydrophobicContact CE1-CD2 4.08Å; F173-W213 AromaticContact CE1-CE2 3.82Å; F173-W213 AromaticContact CE1-CG 3.98Å; F173-W213 HydrophobicContact CE1-CG 3.98Å; F173-W213 AromaticContact CE1-NE1 3.52Å; L191-W213 HydrophobicContact CB-CH2 4.41Å; L191-W213 WeakPolarHBondContact O-CH2 3.49Å; L191-W213 WeakPolarHBondContact O-CZ2 3.29Å; F207-W213 HydrophobicContact CB-CH2 4.29Å; F207-W213 HydrophobicContact CB-CZ2 3.7Å; F207-W213 AromaticContact CD1-CH2 3.77Å; F207-W213 HydrophobicContact CD1-CH2 3.77Å; F207-W213 HydrophobicContact CD1-CZ2 4.06Å; F207-W213 HydrophobicContact CD1-CZ3 4.27Å; F207-W213 HydrophobicContact CG-CZ2 4.39Å; D208-W213 PolarHBondContact O-NE1 3.21Å; E211-W213 HydrophobicContact CB-CZ2 4.2Å; E211-W213 PolarHBondContact O-N 2.82Å; W213-L397 HydrophobicContact CD2-CD1 4.09Å; W213-L397 HydrophobicContact CE3-CB 3.96Å; W213-L397 HydrophobicContact CE3-CD1 3.73Å; W213-L397 HydrophobicContact CE3-CG 4.46Å; W213-L397 HydrophobicContact CZ3-CD1 4.06Å; W213-V400 HydrophobicContact CH2-CB 4.16Å; W213-V400 HydrophobicContact CH2-CG1 3.9Å; W213-V400 HydrophobicContact CH2-CG2 4.3Å; W213-V400 HydrophobicContact CZ3-CB 3.83Å; W213-V400 HydrophobicContact CZ3-CG1 4.11Å; W213-V400 HydrophobicContact CZ3-CG2 3.86Å
214	T	97.5	Very high	95.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	-172.1	-178	70.3	0	0	0	0	110.4	L212 G216 G218 Q393 Y395 S396 L397	L212-T214 HydrophobicContact CD2-CG2 4.18Å; L212-T214 HydrophobicContact CG-CG2 3.84Å; T214-G216 VanDerWaalsContact C-N 3.29Å; T214-G216 WeakPolarHBondContact OG1-CA 3.21Å; T214-G216 PolarHBondContact OG1-N 3.34Å; T214-G218 WeakPolarHBondContact CB-O 3.49Å; T214-G218 VanDerWaalsContact CG2-O 3.27Å; T214-G218 WeakPolarHBondContact CG2-O 3.26Å; T214-Q393 WeakPolarHBondContact CG2-O 3.19Å; T214-Q393 PolarHBondContact OG1-O 2.88Å; T214-Y395 PolarHBondContact N-O 2.8Å; T214-S396 VanDerWaalsContact O-CA 3.31Å; T214-S396 WeakPolarHBondContact O-CA 3.24Å; T214-L397 PolarHBondContact O-N 2.98Å
215	L	96.9	Very high	95.7	Very high	53 Å²	53	22.7 Å²	22.7	28%	0.277	11%	0.107	S	C	.	.	S	Bend	trans	-91.3	4.2	163.9	-63.8	173.5	0	0	0	112.1	T139 V220 S396	T139-L215 HydrophobicContact CG2-CD1 4.4Å; T139-L215 HydrophobicContact CG2-CD2 4.11Å; T139-L215 HydrophobicContact CG2-CG 4.47Å; L215-V220 HydrophobicContact CB-CG2 4.11Å; L215-V220 HydrophobicContact CD1-CG1 4.34Å; L215-V220 HydrophobicContact CD1-CG2 4.14Å; L215-V220 HydrophobicContact CG-CG2 3.97Å; L215-S396 WeakPolarHBondContact O-CB 3.4Å; L215-S396 PolarHBondContact O-OG 3.26Å
216	G	94.3	Very high	95.6	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	13%	0.127	C	C	.	.	S	Bend	trans	105.7	-4.6	173.4	0	0	0	0	0	116.1	T214 Y427	T214-G216 VanDerWaalsContact C-N 3.29Å; T214-G216 WeakPolarHBondContact OG1-CA 3.21Å; T214-G216 PolarHBondContact OG1-N 3.34Å; G216-Y427 VanDerWaalsContact CA-CE2 3.47Å
217	E	92.5	Very high	95.5	Very high	92 Å²	92	28.3 Å²	28.3	43%	0.43	15%	0.148	S	C	.	.	S	Bend	trans	-117.5	34.5	-179.9	-56	-173.4	-173.2	0	0	112.3	Q393 Y427 K429	E217-Q393 VanDerWaalsContact CA-OE1 3.24Å; E217-Q393 PolarHBondContact O-OE1 2.79Å; E217-Y427 HydrophobicContact CG-CE1 3.7Å; E217-Y427 WeakPolarHBondContact CG-OH 3.33Å; E217-Y427 PolarHBondContact OE1-OH 3.37Å; E217-K429 VanDerWaalsContact CD-NZ 3.34Å; E217-K429 WeakPolarHBondContact OE1-CD 3.42Å; E217-K429 WeakPolarHBondContact OE1-CE 3.21Å; E217-K429 WeakPolarHBondContact OE1-CG 3.41Å; E217-K429 IonicContact OE1-NZ 3.64Å; E217-K429 PolarHBondContact OE1-NZ 2.96Å; E217-K429 IonicContact OE2-NZ 2.66Å; E217-K429 PolarHBondContact OE2-NZ 3.37Å; E217-K429 VanDerWaalsContact OE2-NZ 3.15Å
218	G	92.6	Very high	95.5	Very high	9 Å²	9	28.7 Å²	28.7	9%	0.093	15%	0.151	C	C	.	.	S	Bend	trans	93.9	178.4	-176	0	0	0	0	0	114.1	T214 V220 Q393	T214-G218 WeakPolarHBondContact CB-O 3.49Å; T214-G218 VanDerWaalsContact CG2-O 3.27Å; T214-G218 WeakPolarHBondContact CG2-O 3.26Å; G218-V220 PolarHBondContact O-N 2.67Å; G218-Q393 VanDerWaalsContact CA-O 3.3Å; G218-Q393 WeakPolarHBondContact CA-O 3.46Å; G218-Q393 PolarHBondContact N-O 3.45Å
219	Q	94.2	Very high	95.5	Very high	16 Å²	16	33.5 Å²	33.5	8%	0.075	18%	0.177	C	C	.	.			trans	-53	132.7	-173.6	-170	-179	29.3	0	0	112	V221 F235 M337	Q219-V221 HydrophobicContact CG-CG2 3.97Å; Q219-F235 WeakPolarHBondContact O-CD2 3.26Å; Q219-M337 PolarHBondContact NE2-O 3.01Å; Q219-M337 PolarHBondContact OE1-O 3.23Å
220	V	96.6	Very high	95.6	Very high	18 Å²	18	33.4 Å²	33.4	11%	0.109	18%	0.183	C	C	.	.			trans	-108.1	130.5	175.1	-179.6	0	0	0	0	106.8	L135 L215 G218 Y232	L135-V220 HydrophobicContact CD2-CB 3.69Å; L135-V220 HydrophobicContact CD2-CG1 4.13Å; L135-V220 HydrophobicContact CD2-CG2 4.33Å; L215-V220 HydrophobicContact CB-CG2 4.11Å; L215-V220 HydrophobicContact CD1-CG1 4.34Å; L215-V220 HydrophobicContact CD1-CG2 4.14Å; L215-V220 HydrophobicContact CG-CG2 3.97Å; G218-V220 PolarHBondContact O-N 2.67Å; V220-Y232 HydrophobicContact CG1-CD1 3.45Å; V220-Y232 VanDerWaalsContact CG1-CD1 3.45Å; V220-Y232 HydrophobicContact CG1-CE1 3.71Å; V220-Y232 HydrophobicContact CG1-CG 4.11Å
221	V	97.3	Very high	96	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.197	C	C	.	.			trans	-134.5	121.4	177.1	177.3	0	0	0	0	108.3	Q219 Y232 C233 F235 C274 E334 A336	Q219-V221 HydrophobicContact CG-CG2 3.97Å; V221-Y232 CarbonylContact O-C 3.57Å; V221-Y232 WeakPolarHBondContact O-CA 3.44Å; V221-C233 HydrophobicContact CB-CB 4.14Å; V221-C233 VanDerWaalsContact CB-SG 3.6Å; V221-C233 PolarHBondContact O-N 2.72Å; V221-F235 HydrophobicContact CB-CE2 4.45Å; V221-F235 HydrophobicContact CG2-CE2 4.14Å; V221-C274 HydrophobicContact CG1-CB 4.02Å; V221-E334 VanDerWaalsContact CA-OE1 3.25Å; V221-E334 WeakPolarHBondContact CA-OE1 3.41Å; V221-A336 HydrophobicContact CG1-CB 4.05Å; V221-A336 HydrophobicContact CG2-CB 4.2Å
222	R	97.8	Very high	96.2	Very high	41 Å²	41	41 Å²	41	16%	0.155	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-88.6	115.6	177.3	-164	169.2	179.6	-168	-0.9	110.9	D136 E138 G230 Y232 P275 E334	D136-R222 HydrophobicContact CB-CB 4.31Å; D136-R222 VanDerWaalsContact CG-CD 3.45Å; D136-R222 VanDerWaalsContact OD1-CD 3.26Å; D136-R222 WeakPolarHBondContact OD1-CD 2.94Å; D136-R222 WeakPolarHBondContact OD2-CD 3.23Å; D136-R222 IonicContact OD2-CZ 2.82Å; D136-R222 IonicContact OD2-NH1 2.88Å; D136-R222 PolarHBondContact OD2-NH1 3.33Å; E138-R222 IonicContact OE1-NH1 3.26Å; E138-R222 IonicContact OE2-CZ 3.46Å; E138-R222 IonicContact OE2-NH1 2.83Å; E138-R222 PolarHBondContact OE2-NH1 3.01Å; E138-R222 IonicContact OE2-NH2 2.76Å; E138-R222 PolarHBondContact OE2-NH2 3Å; R222-G230 PolarHBondContact NE-O 3.26Å; R222-G230 VanDerWaalsContact NE-O 3.11Å; R222-Y232 HydrophobicContact CB-CD1 3.93Å; R222-Y232 HydrophobicContact CB-CE1 3.87Å; R222-Y232 HydrophobicContact CG-CD1 4.18Å; R222-Y232 HydrophobicContact CG-CE1 3.99Å; R222-P275 WeakPolarHBondContact O-CD 3.42Å; R222-P275 WeakPolarHBondContact O-CG 3.33Å; R222-E334 PolarHBondContact N-OE1 2.81Å; R222-E334 PolarHBondContact N-OE2 3.04Å
223	V	97.3	Very high	96.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.			trans	-71.4	145.8	-171.3	-48.5	0	0	0	0	111.8	A228 G230 E231 C259 T261	V223-A228 WeakPolarHBondContact CG2-O 3.43Å; V223-G230 PolarHBondContact O-N 3.1Å; V223-G230 VanDerWaalsContact O-N 3.14Å; V223-E231 HydrophobicContact CG2-CB 4.41Å; V223-E231 WeakPolarHBondContact CG2-O 3.36Å; V223-E231 PolarHBondContact N-O 3.37Å; V223-C259 WeakPolarHBondContact CG1-SG 3.37Å; V223-T261 HydrophobicContact CG1-CG2 4.08Å; V223-T261 HydrophobicContact CG2-CG2 4.06Å
224	K	96.8	Very high	96.3	Very high	27 Å²	27	46.5 Å²	46.5	12%	0.117	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-114.7	141.5	175.8	-57.2	-61.2	177.5	-165.8	0	110.8	D229 F273 P275 F280 M282	K224-D229 VanDerWaalsContact CA-OD1 3.32Å; K224-D229 WeakPolarHBondContact CA-OD1 3.32Å; K224-F273 PolarHBondContact N-O 2.81Å; K224-F273 WeakPolarHBondContact O-CA 3.48Å; K224-F273 WeakPolarHBondContact O-CB 3.38Å; K224-F273 PolarHBondContact O-N 3.21Å; K224-P275 HydrophobicContact CG-CG 3.8Å; K224-F280 HydrophobicContact CB-CE2 4.03Å; K224-F280 HydrophobicContact CB-CZ 3.85Å; K224-F280 HydrophobicContact CG-CE2 4.07Å; K224-F280 HydrophobicContact CG-CZ 4.01Å; K224-M282 HydrophobicContact CD-CE 3.95Å; K224-M282 HydrophobicContact CD-SD 4.31Å; K224-M282 HydrophobicContact CG-SD 4.37Å
225	Y	96.1	Very high	96.2	Very high	120 Å²	120	48.2 Å²	48.2	47%	0.471	25%	0.246	S	C	.	.	S	Bend	trans	53.9	-157	-176.8	-44.6	-76.2	0	0	0	112.2	D229 F280	Y225-D229 PolarHBondContact N-OD1 2.88Å; Y225-D229 WeakPolarHBondContact O-CA 3.49Å; Y225-D229 PolarHBondContact O-N 3.33Å; Y225-F280 HydrophobicContact CE2-CD2 4.08Å; Y225-F280 AromaticContact CE2-CE2 3.95Å; Y225-F280 HydrophobicContact CE2-CE2 3.95Å; Y225-F280 HydrophobicContact CE2-CZ 4.49Å
226	G	95.9	Very high	95.9	Very high	40 Å²	40	47.9 Å²	47.9	41%	0.412	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	-159.1	-174.5	0	0	0	0	0	112.1
227	N	97.4	Very high	96	Very high	99 Å²	99	47.8 Å²	47.8	53%	0.529	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	8.3	-179.8	64.3	2.6	0	0	0	113	G269 K270 Y271	N227-G269 PolarHBondContact ND2-O 3.12Å; N227-K270 WeakPolarHBondContact OD1-CA 3.17Å; N227-Y271 PolarHBondContact N-O 3.22Å; N227-Y271 PolarHBondContact OD1-N 3.42Å; N227-Y271 PolarHBondContact OD1-O 3.44Å; N227-Y271 VanDerWaalsContact OD1-O 3.1Å
228	A	97.6	Very high	96	Very high	9 Å²	9	44.8 Å²	44.8	7%	0.074	23%	0.233	C	C	.	.	S	Bend	trans	-140.7	30.9	-179.6	0	0	0	0	0	112.3	V223 G230 E231 T261 K270 Y271	V223-A228 WeakPolarHBondContact CG2-O 3.43Å; A228-G230 PolarHBondContact O-N 2.95Å; A228-E231 HydrophobicContact CB-CB 4.48Å; A228-E231 HydrophobicContact CB-CG 4.19Å; A228-E231 WeakPolarHBondContact O-CB 3.37Å; A228-E231 WeakPolarHBondContact O-CG 3.23Å; A228-E231 PolarHBondContact O-N 2.81Å; A228-T261 HydrophobicContact CB-CG2 3.64Å; A228-K270 HydrophobicContact CB-CB 4.24Å; A228-Y271 PolarHBondContact N-O 3.12Å
229	D	97.6	Very high	96.1	Very high	100 Å²	100	45.5 Å²	45.5	54%	0.535	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	133.2	176.2	-177.7	78.5	0	0	0	111.6	K224 Y225	K224-D229 VanDerWaalsContact CA-OD1 3.32Å; K224-D229 WeakPolarHBondContact CA-OD1 3.32Å; Y225-D229 PolarHBondContact N-OD1 2.88Å; Y225-D229 WeakPolarHBondContact O-CA 3.49Å; Y225-D229 PolarHBondContact O-N 3.33Å
230	G	94.4	Very high	96.1	Very high	27 Å²	27	50.1 Å²	50.1	28%	0.278	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-13.2	179.8	0	0	0	0	0	115.5	R222 V223 A228	R222-G230 PolarHBondContact NE-O 3.26Å; R222-G230 VanDerWaalsContact NE-O 3.11Å; V223-G230 PolarHBondContact O-N 3.1Å; V223-G230 VanDerWaalsContact O-N 3.14Å; A228-G230 PolarHBondContact O-N 2.95Å
231	E	97.9	Very high	95.8	Very high	114 Å²	114	52.4 Å²	52.4	53%	0.533	29%	0.286	S	S	.	.	S	Bend	trans	-78.4	168.2	171.9	-60.9	-68.2	163.7	0	0	111.8	V223 A228 T261	V223-E231 HydrophobicContact CG2-CB 4.41Å; V223-E231 WeakPolarHBondContact CG2-O 3.36Å; V223-E231 PolarHBondContact N-O 3.37Å; A228-E231 HydrophobicContact CB-CB 4.48Å; A228-E231 HydrophobicContact CB-CG 4.19Å; A228-E231 WeakPolarHBondContact O-CB 3.37Å; A228-E231 WeakPolarHBondContact O-CG 3.23Å; A228-E231 PolarHBondContact O-N 2.81Å; E231-T261 HydrophobicContact CB-CG2 3.87Å
232	Y	98.3	Very high	95.3	Very high	92 Å²	92	57.3 Å²	57.3	36%	0.361	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-92.7	148.6	170.6	-60.2	-68.7	0	0	0	111.9	T139 V220 V221 R222 K234	T139-Y232 PolarHBondContact OG1-OH 3.48Å; V220-Y232 HydrophobicContact CG1-CD1 3.45Å; V220-Y232 VanDerWaalsContact CG1-CD1 3.45Å; V220-Y232 HydrophobicContact CG1-CE1 3.71Å; V220-Y232 HydrophobicContact CG1-CG 4.11Å; V221-Y232 CarbonylContact O-C 3.57Å; V221-Y232 WeakPolarHBondContact O-CA 3.44Å; R222-Y232 HydrophobicContact CB-CD1 3.93Å; R222-Y232 HydrophobicContact CB-CE1 3.87Å; R222-Y232 HydrophobicContact CG-CD1 4.18Å; R222-Y232 HydrophobicContact CG-CE1 3.99Å; Y232-K234 PolarHBondContact O-N 2.93Å
233	C	97.6	Very high	94.9	Very high	12 Å²	12	58.7 Å²	58.7	8%	0.081	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-55.4	135.7	164.8	-68.1	0	0	0	0	110.3	V221 F235 C259	V221-C233 HydrophobicContact CB-CB 4.14Å; V221-C233 VanDerWaalsContact CB-SG 3.6Å; V221-C233 PolarHBondContact O-N 2.72Å; C233-F235 HydrophobicContact CB-CD2 4.09Å; C233-F235 HydrophobicContact CB-CE1 3.98Å; C233-F235 HydrophobicContact CB-CE2 3.43Å; C233-F235 VanDerWaalsContact CB-CE2 3.43Å; C233-F235 HydrophobicContact CB-CZ 3.36Å; C233-C259 WeakPolarHBondContact CA-SG 3.36Å; C233-C259 HydrophobicContact CB-CB 3.74Å; C233-C259 WeakPolarHBondContact CB-SG 3.17Å; C233-C259 WeakPolarHBondContact SG-CB 3.43Å; C233-C259 CovalentContact SG-SG 2.01Å; C233-C259 PolarHBondContact SG-SG 3.4Å
234	K	96.8	Very high	94.5	Very high	104 Å²	104	59.9 Å²	59.9	45%	0.452	32%	0.32	S	S	.	.			trans	-96.1	99.9	174.1	-177.1	56.9	176.6	171.3	0	109.4	Y232 P236 F237 S260	Y232-K234 PolarHBondContact O-N 2.93Å; K234-P236 CarbonylContact O-C 3.58Å; K234-F237 VanDerWaalsContact O-CB 3.31Å; K234-F237 WeakPolarHBondContact O-CB 3.33Å; K234-F237 PolarHBondContact O-N 3.3Å; K234-S260 PolarHBondContact N-O 2.82Å
235	F	93.4	Very high	94.1	Very high	37 Å²	37	63.4 Å²	63.4	16%	0.162	34%	0.341	C	S	.	.	S	Bend	trans	-97.6	138.5	172.6	-58.7	-54	0	0	0	111.7	Q219 V221 C233 F237 N245 S246 C259	Q219-F235 WeakPolarHBondContact O-CD2 3.26Å; V221-F235 HydrophobicContact CB-CE2 4.45Å; V221-F235 HydrophobicContact CG2-CE2 4.14Å; C233-F235 HydrophobicContact CB-CD2 4.09Å; C233-F235 HydrophobicContact CB-CE1 3.98Å; C233-F235 HydrophobicContact CB-CE2 3.43Å; C233-F235 VanDerWaalsContact CB-CE2 3.43Å; C233-F235 HydrophobicContact CB-CZ 3.36Å; F235-F237 HydrophobicContact CD1-CD1 4.02Å; F235-F237 HydrophobicContact CD1-CE1 4.28Å; F235-F237 HydrophobicContact CE1-CD1 4.07Å; F235-F237 AromaticContact CE1-CE1 3.92Å; F235-F237 HydrophobicContact CE1-CE1 3.92Å; F235-N245 VanDerWaalsContact CD1-C 3.44Å; F235-S246 VanDerWaalsContact CE1-CA 3.44Å; F235-S246 WeakPolarHBondContact CE1-O 3.43Å; F235-C259 HydrophobicContact CE1-CB 4.09Å; F235-C259 HydrophobicContact CZ-CB 4.2Å
236	P	92.4	Very high	93.9	Very high	45 Å²	45	59.2 Å²	59.2	29%	0.292	33%	0.328	S	S	.	.	S	Bend	cis	-63.8	153.9	-19.1	24.6	-30.9	0	0	0	112.3	K234 E243 Y244 N245 Y263	K234-P236 CarbonylContact O-C 3.58Å; P236-E243 HydrophobicContact CB-CB 4.39Å; P236-Y244 VanDerWaalsContact CA-O 3.24Å; P236-Y244 WeakPolarHBondContact CA-O 3.27Å; P236-N245 VanDerWaalsContact CB-OD1 3.3Å; P236-N245 WeakPolarHBondContact CB-OD1 3.29Å; P236-Y263 HydrophobicContact CB-CE2 4.48Å; P236-Y263 HydrophobicContact CG-CE2 4.23Å; P236-Y263 VanDerWaalsContact O-CD2 3.22Å; P236-Y263 WeakPolarHBondContact O-CD2 3.48Å
237	F	94.8	Very high	93.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	152	160.4	70.9	-86.9	0	0	0	111.7	K234 F235 F239 E243 Y244 T248 W258 C259 S260 T262 Y263	K234-F237 VanDerWaalsContact O-CB 3.31Å; K234-F237 WeakPolarHBondContact O-CB 3.33Å; K234-F237 PolarHBondContact O-N 3.3Å; F235-F237 HydrophobicContact CD1-CD1 4.02Å; F235-F237 HydrophobicContact CD1-CE1 4.28Å; F235-F237 HydrophobicContact CE1-CD1 4.07Å; F235-F237 AromaticContact CE1-CE1 3.92Å; F235-F237 HydrophobicContact CE1-CE1 3.92Å; F237-F239 HydrophobicContact CD2-CB 4.12Å; F237-F239 HydrophobicContact CE2-CB 3.85Å; F237-E243 CarbonylContact O-C 3.57Å; F237-E243 VanDerWaalsContact O-CA 3.29Å; F237-E243 WeakPolarHBondContact O-CA 3.33Å; F237-Y244 HydrophobicContact CD2-CD2 4.49Å; F237-Y244 HydrophobicContact CE1-CG 4.39Å; F237-Y244 AromaticContact CE2-CD2 3.94Å; F237-Y244 HydrophobicContact CE2-CD2 3.94Å; F237-Y244 HydrophobicContact CE2-CG 4.28Å; F237-Y244 HydrophobicContact CZ-CD2 4.09Å; F237-Y244 AromaticContact CZ-CG 3.96Å; F237-Y244 HydrophobicContact CZ-CG 3.96Å; F237-Y244 PolarHBondContact N-O 3.12Å; F237-Y244 PolarHBondContact O-N 3.12Å; F237-T248 HydrophobicContact CZ-CG2 4.17Å; F237-W258 AromaticContact CE2-CH2 3.94Å; F237-W258 HydrophobicContact CE2-CH2 3.94Å; F237-W258 HydrophobicContact CE2-CZ3 4.07Å; F237-W258 HydrophobicContact CZ-CZ3 4.47Å; F237-C259 HydrophobicContact CD1-CB 4.44Å; F237-C259 HydrophobicContact CE1-CB 3.85Å; F237-C259 HydrophobicContact CZ-CB 4.42Å; F237-S260 VanDerWaalsContact CD2-CB 3.46Å; F237-T262 WeakPolarHBondContact CB-O 3.34Å; F237-Y263 CarbonylContact C-O 3.46Å; F237-Y263 WeakPolarHBondContact CA-O 3.27Å
238	L	93.3	Very high	93.4	Very high	30 Å²	30	53.5 Å²	53.5	16%	0.157	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.7	179.6	-176.3	69.5	0	0	0	110.4	E243 Y263 F265	L238-E243 HydrophobicContact CD1-CG 4.2Å; L238-Y263 HydrophobicContact CB-CE1 3.88Å; L238-Y263 WeakPolarHBondContact CB-O 3.12Å; L238-Y263 HydrophobicContact CD2-CE1 4.28Å; L238-Y263 PolarHBondContact N-O 2.94Å; L238-F265 WeakPolarHBondContact O-CB 3.26Å; L238-F265 PolarHBondContact O-N 3.2Å
239	F	95.2	Very high	93	Very high	23 Å²	23	56.8 Å²	56.8	10%	0.101	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	127.9	173.9	173.4	-118.3	0	0	0	110.5	F237 G241 K242 Y244 T250 W258 F265	F237-F239 HydrophobicContact CD2-CB 4.12Å; F237-F239 HydrophobicContact CE2-CB 3.85Å; F239-G241 PolarHBondContact O-N 3.16Å; F239-K242 PolarHBondContact N-O 3.01Å; F239-K242 PolarHBondContact O-N 3.29Å; F239-K242 VanDerWaalsContact O-O 3.07Å; F239-Y244 HydrophobicContact CB-CD2 4.19Å; F239-Y244 HydrophobicContact CB-CE2 3.94Å; F239-Y244 HydrophobicContact CD1-CE2 4.05Å; F239-T250 HydrophobicContact CE1-CG2 4.22Å; F239-W258 HydrophobicContact CB-CH2 4.32Å; F239-W258 HydrophobicContact CD1-CH2 4.07Å; F239-W258 AromaticContact CD1-CZ2 3.73Å; F239-W258 HydrophobicContact CD1-CZ2 3.73Å; F239-W258 AromaticContact CD2-CH2 3.9Å; F239-W258 HydrophobicContact CD2-CH2 3.9Å; F239-W258 HydrophobicContact CD2-CZ2 4.23Å; F239-W258 HydrophobicContact CE1-CH2 4.33Å; F239-W258 AromaticContact CE1-CZ2 3.7Å; F239-W258 HydrophobicContact CE1-CZ2 3.7Å; F239-W258 HydrophobicContact CE2-CH2 4.17Å; F239-W258 HydrophobicContact CE2-CZ2 4.2Å; F239-W258 AromaticContact CG-CH2 3.84Å; F239-W258 HydrophobicContact CG-CH2 3.84Å; F239-W258 AromaticContact CG-CZ2 3.99Å; F239-W258 HydrophobicContact CG-CZ2 3.99Å; F239-W258 HydrophobicContact CZ-CH2 4.36Å; F239-W258 AromaticContact CZ-CZ2 3.93Å; F239-W258 HydrophobicContact CZ-CZ2 3.93Å; F239-F265 AromaticContact CD2-CD1 3.55Å; F239-F265 HydrophobicContact CD2-CD1 3.55Å; F239-F265 HydrophobicContact CD2-CE1 4.08Å; F239-F265 HydrophobicContact CD2-CG 4.41Å; F239-F265 AromaticContact CE2-CD1 3.95Å; F239-F265 HydrophobicContact CE2-CD1 3.95Å; F239-F265 HydrophobicContact CE2-CE1 4.01Å
240	N	93.1	Very high	92.6	Very high	113 Å²	113	54.5 Å²	54.5	60%	0.604	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	40.9	-178.3	-70.1	-16.9	0	0	0	113.2	K242 E266	N240-K242 PolarHBondContact O-N 2.98Å; N240-E266 PolarHBondContact N-OE1 3.46Å
241	G	90.1	Very high	92.4	Very high	67 Å²	67	56.5 Å²	56.5	69%	0.691	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	5.4	-179.1	0	0	0	0	0	115.8	F239	F239-G241 PolarHBondContact O-N 3.16Å
242	K	88.4	Confident	92.1	Very high	103 Å²	103	55.9 Å²	55.9	45%	0.448	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.9	175.3	-173.9	176.3	176.6	-174.1	0	110.7	F239 N240 Y244	F239-K242 PolarHBondContact N-O 3.01Å; F239-K242 PolarHBondContact O-N 3.29Å; F239-K242 VanDerWaalsContact O-O 3.07Å; N240-K242 PolarHBondContact O-N 2.98Å; K242-Y244 HydrophobicContact CB-CE2 4Å; K242-Y244 HydrophobicContact CD-CE1 4.41Å; K242-Y244 HydrophobicContact CD-CE2 4.45Å; K242-Y244 HydrophobicContact CG-CE2 4.18Å; K242-Y244 WeakPolarHBondContact O-CD2 3.12Å
243	E	89.3	Confident	91.8	Very high	71 Å²	71	57.5 Å²	57.5	33%	0.332	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	140.6	172.8	-70.8	-177.2	158.8	0	0	111.1	P236 F237 L238 Y263 R550	P236-E243 HydrophobicContact CB-CB 4.39Å; F237-E243 CarbonylContact O-C 3.57Å; F237-E243 VanDerWaalsContact O-CA 3.29Å; F237-E243 WeakPolarHBondContact O-CA 3.33Å; L238-E243 HydrophobicContact CD1-CG 4.2Å; E243-Y263 PolarHBondContact OE1-OH 3.41Å; E243-R550 IonicContact OE1-CZ 3.95Å; E243-R550 VanDerWaalsContact OE1-CZ 3.26Å; E243-R550 IonicContact OE1-NE 3.46Å; E243-R550 IonicContact OE1-NH1 3.53Å; E243-R550 PolarHBondContact OE1-NH1 2.69Å
244	Y	88.3	Confident	91.4	Very high	25 Å²	25	60.5 Å²	60.5	10%	0.098	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.2	176.5	-64.1	-93.5	0	0	0	108.9	P236 F237 F239 K242 T248 T250	P236-Y244 VanDerWaalsContact CA-O 3.24Å; P236-Y244 WeakPolarHBondContact CA-O 3.27Å; F237-Y244 HydrophobicContact CD2-CD2 4.49Å; F237-Y244 HydrophobicContact CE1-CG 4.39Å; F237-Y244 AromaticContact CE2-CD2 3.94Å; F237-Y244 HydrophobicContact CE2-CD2 3.94Å; F237-Y244 HydrophobicContact CE2-CG 4.28Å; F237-Y244 HydrophobicContact CZ-CD2 4.09Å; F237-Y244 AromaticContact CZ-CG 3.96Å; F237-Y244 HydrophobicContact CZ-CG 3.96Å; F237-Y244 PolarHBondContact N-O 3.12Å; F237-Y244 PolarHBondContact O-N 3.12Å; F239-Y244 HydrophobicContact CB-CD2 4.19Å; F239-Y244 HydrophobicContact CB-CE2 3.94Å; F239-Y244 HydrophobicContact CD1-CE2 4.05Å; K242-Y244 HydrophobicContact CB-CE2 4Å; K242-Y244 HydrophobicContact CD-CE1 4.41Å; K242-Y244 HydrophobicContact CD-CE2 4.45Å; K242-Y244 HydrophobicContact CG-CE2 4.18Å; K242-Y244 WeakPolarHBondContact O-CD2 3.12Å; Y244-T248 HydrophobicContact CD1-CG2 3.65Å; Y244-T248 HydrophobicContact CE1-CG2 3.79Å; Y244-T248 HydrophobicContact CG-CG2 4.15Å; Y244-T250 WeakPolarHBondContact OH-CG2 3.41Å
245	N	88.9	Confident	90.9	Very high	101 Å²	101	57.1 Å²	57.1	54%	0.54	34%	0.343	S	S	.	.	S	Bend	trans	-105.9	6.1	178.7	-68.2	-69.8	0	0	0	112.7	F235 P236	F235-N245 VanDerWaalsContact CD1-C 3.44Å; P236-N245 VanDerWaalsContact CB-OD1 3.3Å; P236-N245 WeakPolarHBondContact CB-OD1 3.29Å
246	S	90.6	Very high	90.8	Very high	31 Å²	31	58.2 Å²	58.2	22%	0.217	35%	0.348	C	S	.	.	S	Bend	trans	-150	171.1	174.4	66.1	0	0	0	0	108.4	F235	F235-S246 VanDerWaalsContact CE1-CA 3.44Å; F235-S246 WeakPolarHBondContact CE1-O 3.43Å
247	C	92.6	Very high	90.8	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.034	34%	0.339	C	S	.	.			trans	-60.9	150.1	173.9	-64.1	0	0	0	0	111.8	L257 C274 A336	C247-L257 HydrophobicContact CB-CB 4.13Å; C247-C274 HydrophobicContact CB-CB 3.61Å; C247-C274 WeakPolarHBondContact CB-SG 3.49Å; C247-C274 WeakPolarHBondContact SG-CB 3.41Å; C247-C274 CovalentContact SG-SG 2.02Å; C247-C274 PolarHBondContact SG-SG 2.71Å; C247-A336 HydrophobicContact CB-CB 4.5Å
248	T	90.2	Very high	90.9	Very high	15 Å²	15	57.5 Å²	57.5	9%	0.092	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-141.4	152.2	-179.1	-171.5	0	0	0	0	111	F237 Y244 T250 W258	F237-T248 HydrophobicContact CZ-CG2 4.17Å; Y244-T248 HydrophobicContact CD1-CG2 3.65Å; Y244-T248 HydrophobicContact CE1-CG2 3.79Å; Y244-T248 HydrophobicContact CG-CG2 4.15Å; T248-T250 VanDerWaalsContact C-N 3.34Å; T248-T250 WeakPolarHBondContact OG1-CB 3.45Å; T248-T250 PolarHBondContact OG1-N 2.8Å; T248-T250 PolarHBondContact OG1-OG1 3.17Å; T248-W258 PolarHBondContact N-O 3.23Å; T248-W258 PolarHBondContact O-N 3.07Å
249	D	90.1	Very high	91.1	Very high	78 Å²	78	56 Å²	56	42%	0.417	33%	0.333	S	S	.	.			trans	-92	3.3	166	66	-21.9	0	0	0	111.9	G251 R252 L257	D249-G251 PolarHBondContact O-N 3.36Å; D249-R252 WeakPolarHBondContact O-CA 3.46Å; D249-R252 WeakPolarHBondContact O-CB 3.31Å; D249-R252 PolarHBondContact O-N 2.89Å; D249-L257 HydrophobicContact CB-CD2 4.29Å
250	T	89.9	Confident	91.3	Very high	51 Å²	51	55 Å²	55	31%	0.313	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	128.5	-177.7	-58.1	0	0	0	0	110.7	F239 Y244 T248 R252 W258	F239-T250 HydrophobicContact CE1-CG2 4.22Å; Y244-T250 WeakPolarHBondContact OH-CG2 3.41Å; T248-T250 VanDerWaalsContact C-N 3.34Å; T248-T250 WeakPolarHBondContact OG1-CB 3.45Å; T248-T250 PolarHBondContact OG1-N 2.8Å; T248-T250 PolarHBondContact OG1-OG1 3.17Å; T250-R252 VanDerWaalsContact C-N 3.3Å; T250-W258 PolarHBondContact O-NE1 3.39Å
251	G	90.5	Very high	91.5	Very high	69 Å²	69	50.6 Å²	50.6	71%	0.711	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-3.2	-176.4	0	0	0	0	0	114.6	D249	D249-G251 PolarHBondContact O-N 3.36Å
252	R	91.6	Very high	91.8	Very high	102 Å²	102	48.9 Å²	48.9	39%	0.385	28%	0.282	S	S	.	.			trans	-99.6	156.3	170.2	-62	-66.7	-48.3	167.2	6.2	110.6	D249 T250 D254	D249-R252 WeakPolarHBondContact O-CA 3.46Å; D249-R252 WeakPolarHBondContact O-CB 3.31Å; D249-R252 PolarHBondContact O-N 2.89Å; T250-R252 VanDerWaalsContact C-N 3.3Å; R252-D254 IonicContact CZ-OD1 3.01Å; R252-D254 VanDerWaalsContact CZ-OD1 3.29Å; R252-D254 IonicContact CZ-OD2 3.56Å; R252-D254 IonicContact NE-OD1 2.71Å; R252-D254 PolarHBondContact NE-OD1 3.43Å; R252-D254 IonicContact NE-OD2 3.81Å; R252-D254 IonicContact NH2-OD1 3.69Å; R252-D254 PolarHBondContact NH2-OD1 3.31Å; R252-D254 IonicContact NH2-OD2 3.12Å; R252-D254 PolarHBondContact NH2-OD2 3.45Å
253	S	91.4	Very high	92.1	Very high	126 Å²	126	46.9 Å²	46.9	88%	0.881	27%	0.272	S	S	*	.	S	Bend	trans	-115.7	-8.4	173.7	61.7	0	0	0	0	113.6
254	D	89.8	Confident	92.3	Very high	75 Å²	75	46 Å²	46	40%	0.401	27%	0.269	S	S	.	.	S	Bend	trans	-99.3	3.3	-179.6	60	-17	0	0	0	113.2	R252 F256	R252-D254 IonicContact CZ-OD1 3.01Å; R252-D254 VanDerWaalsContact CZ-OD1 3.29Å; R252-D254 IonicContact CZ-OD2 3.56Å; R252-D254 IonicContact NE-OD1 2.71Å; R252-D254 PolarHBondContact NE-OD1 3.43Å; R252-D254 IonicContact NE-OD2 3.81Å; R252-D254 IonicContact NH2-OD1 3.69Å; R252-D254 PolarHBondContact NH2-OD1 3.31Å; R252-D254 IonicContact NH2-OD2 3.12Å; R252-D254 PolarHBondContact NH2-OD2 3.45Å; D254-F256 HydrophobicContact CB-CD2 4.18Å; D254-F256 PolarHBondContact O-N 3.21Å; D254-F256 WeakPolarHBondContact OD2-CD2 3.47Å
255	G	85.4	Confident	92.7	Very high	32 Å²	32	46.8 Å²	46.8	33%	0.33	27%	0.274	S	S	.	.			trans	74.3	4.5	176.5	0	0	0	0	0	115	L257	G255-L257 PolarHBondContact O-N 3.33Å
256	F	90.9	Very high	92.9	Very high	60 Å²	60	48 Å²	48	26%	0.263	28%	0.276	S	S	.	.			trans	-70	131.4	177.2	-86.9	-99.6	0	0	0	111.5	D254 F273 L279 F280	D254-F256 HydrophobicContact CB-CD2 4.18Å; D254-F256 PolarHBondContact O-N 3.21Å; D254-F256 WeakPolarHBondContact OD2-CD2 3.47Å; F256-F273 HydrophobicContact CB-CD1 3.86Å; F256-F273 HydrophobicContact CB-CE1 3.95Å; F256-F273 HydrophobicContact CD1-CD1 4.28Å; F256-F273 HydrophobicContact CG-CD1 4.45Å; F256-L279 HydrophobicContact CD1-CB 4.26Å; F256-L279 HydrophobicContact CD1-CD1 4.46Å; F256-L279 HydrophobicContact CE1-CB 4.07Å; F256-F280 HydrophobicContact CD1-CD1 4.27Å; F256-F280 HydrophobicContact CE1-CB 4.34Å; F256-F280 AromaticContact CE1-CD1 3.82Å; F256-F280 HydrophobicContact CE1-CD1 3.82Å; F256-F280 HydrophobicContact CE1-CG 4.47Å
257	L	93.4	Very high	93.1	Very high	18 Å²	18	54.4 Å²	54.4	9%	0.094	30%	0.3	C	S	.	.			trans	-75.5	136.3	174.7	-64.3	175.9	0	0	0	110.5	C247 D249 G255 F273 C274 H276 L279	C247-L257 HydrophobicContact CB-CB 4.13Å; D249-L257 HydrophobicContact CB-CD2 4.29Å; G255-L257 PolarHBondContact O-N 3.33Å; L257-F273 CarbonylContact O-C 3.58Å; L257-F273 WeakPolarHBondContact O-CA 3.43Å; L257-C274 HydrophobicContact CB-CB 3.97Å; L257-C274 PolarHBondContact O-N 3.09Å; L257-H276 HydrophobicContact CD1-CB 4.48Å; L257-L279 HydrophobicContact CB-CD1 4.05Å; L257-L279 HydrophobicContact CD1-CD1 4.22Å; L257-L279 HydrophobicContact CG-CD1 3.86Å
258	W	96.7	Very high	93.3	Very high	12 Å²	12	57.6 Å²	57.6	5%	0.045	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	165.3	176.1	74.1	-80.8	0	0	0	111.1	F237 F239 T248 T250 F265 Y271 G272 F273	F237-W258 AromaticContact CE2-CH2 3.94Å; F237-W258 HydrophobicContact CE2-CH2 3.94Å; F237-W258 HydrophobicContact CE2-CZ3 4.07Å; F237-W258 HydrophobicContact CZ-CZ3 4.47Å; F239-W258 HydrophobicContact CB-CH2 4.32Å; F239-W258 HydrophobicContact CD1-CH2 4.07Å; F239-W258 AromaticContact CD1-CZ2 3.73Å; F239-W258 HydrophobicContact CD1-CZ2 3.73Å; F239-W258 AromaticContact CD2-CH2 3.9Å; F239-W258 HydrophobicContact CD2-CH2 3.9Å; F239-W258 HydrophobicContact CD2-CZ2 4.23Å; F239-W258 HydrophobicContact CE1-CH2 4.33Å; F239-W258 AromaticContact CE1-CZ2 3.7Å; F239-W258 HydrophobicContact CE1-CZ2 3.7Å; F239-W258 HydrophobicContact CE2-CH2 4.17Å; F239-W258 HydrophobicContact CE2-CZ2 4.2Å; F239-W258 AromaticContact CG-CH2 3.84Å; F239-W258 HydrophobicContact CG-CH2 3.84Å; F239-W258 AromaticContact CG-CZ2 3.99Å; F239-W258 HydrophobicContact CG-CZ2 3.99Å; F239-W258 HydrophobicContact CZ-CH2 4.36Å; F239-W258 AromaticContact CZ-CZ2 3.93Å; F239-W258 HydrophobicContact CZ-CZ2 3.93Å; T248-W258 PolarHBondContact N-O 3.23Å; T248-W258 PolarHBondContact O-N 3.07Å; T250-W258 PolarHBondContact O-NE1 3.39Å; W258-F265 HydrophobicContact CH2-CD1 4.09Å; W258-F265 HydrophobicContact CH2-CD2 4.37Å; W258-F265 HydrophobicContact CH2-CE1 4.08Å; W258-F265 HydrophobicContact CH2-CE2 4.41Å; W258-F265 HydrophobicContact CH2-CG 4.2Å; W258-F265 HydrophobicContact CH2-CZ 4.24Å; W258-F265 HydrophobicContact CZ3-CD1 4.45Å; W258-F265 AromaticContact CZ3-CD2 3.93Å; W258-F265 HydrophobicContact CZ3-CD2 3.93Å; W258-F265 HydrophobicContact CZ3-CE1 4.37Å; W258-F265 AromaticContact CZ3-CE2 3.9Å; W258-F265 HydrophobicContact CZ3-CE2 3.9Å; W258-F265 HydrophobicContact CZ3-CG 4.21Å; W258-F265 HydrophobicContact CZ3-CZ 4.09Å; W258-Y271 HydrophobicContact CB-CD2 4.5Å; W258-Y271 HydrophobicContact CE3-CD2 4.29Å; W258-Y271 HydrophobicContact CE3-CG 4.38Å; W258-G272 WeakPolarHBondContact CA-O 3.38Å; W258-G272 WeakPolarHBondContact CB-O 3.45Å; W258-F273 HydrophobicContact CB-CD1 4.26Å
259	C	97.4	Very high	93.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	158.2	172.6	69.9	0	0	0	0	110.5	V223 C233 F235 F237 Y271 G272	V223-C259 WeakPolarHBondContact CG1-SG 3.37Å; C233-C259 WeakPolarHBondContact CA-SG 3.36Å; C233-C259 HydrophobicContact CB-CB 3.74Å; C233-C259 WeakPolarHBondContact CB-SG 3.17Å; C233-C259 WeakPolarHBondContact SG-CB 3.43Å; C233-C259 CovalentContact SG-SG 2.01Å; C233-C259 PolarHBondContact SG-SG 3.4Å; F235-C259 HydrophobicContact CE1-CB 4.09Å; F235-C259 HydrophobicContact CZ-CB 4.2Å; F237-C259 HydrophobicContact CD1-CB 4.44Å; F237-C259 HydrophobicContact CE1-CB 3.85Å; F237-C259 HydrophobicContact CZ-CB 4.42Å; C259-Y271 VanDerWaalsContact O-CA 3.32Å; C259-Y271 WeakPolarHBondContact O-CA 3.33Å; C259-Y271 VanDerWaalsContact O-CB 3.24Å; C259-Y271 WeakPolarHBondContact O-CB 3.49Å; C259-G272 PolarHBondContact N-O 3.06Å; C259-G272 PolarHBondContact O-N 2.64Å
260	S	98	Very high	93.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	144.4	169.1	-177.7	0	0	0	0	110.6	K234 F237 T262 K270	K234-S260 PolarHBondContact N-O 2.82Å; F237-S260 VanDerWaalsContact CD2-CB 3.46Å; S260-T262 VanDerWaalsContact C-N 3.32Å; S260-T262 WeakPolarHBondContact CB-O 3.46Å; S260-T262 PolarHBondContact OG-N 3.12Å; S260-T262 PolarHBondContact OG-O 3.18Å; S260-K270 WeakPolarHBondContact CA-O 3.34Å; S260-K270 PolarHBondContact OG-O 3.23Å
261	T	97.6	Very high	94.3	Very high	22 Å²	22	60.7 Å²	60.7	14%	0.135	33%	0.328	C	S	.	.	S	Bend	trans	-92	1	174.2	65.4	0	0	0	0	112.6	V223 A228 E231 K270	V223-T261 HydrophobicContact CG1-CG2 4.08Å; V223-T261 HydrophobicContact CG2-CG2 4.06Å; A228-T261 HydrophobicContact CB-CG2 3.64Å; E231-T261 HydrophobicContact CB-CG2 3.87Å; T261-K270 PolarHBondContact N-O 3.02Å; T261-K270 WeakPolarHBondContact OG1-CB 3.27Å
262	T	96.5	Very high	94.7	Very high	31 Å²	31	57.4 Å²	57.4	19%	0.19	29%	0.294	C	S	.	.	S	Bend	trans	-132.4	165.5	169.1	73.3	0	0	0	0	111.1	F237 S260 D268 K270	F237-T262 WeakPolarHBondContact CB-O 3.34Å; S260-T262 VanDerWaalsContact C-N 3.32Å; S260-T262 WeakPolarHBondContact CB-O 3.46Å; S260-T262 PolarHBondContact OG-N 3.12Å; S260-T262 PolarHBondContact OG-O 3.18Å; T262-D268 WeakPolarHBondContact CB-OD2 3.43Å; T262-D268 HydrophobicContact CG2-CB 4.07Å; T262-D268 VanDerWaalsContact OG1-CB 3.23Å; T262-D268 WeakPolarHBondContact OG1-CB 3.4Å; T262-D268 PolarHBondContact OG1-OD2 3.41Å; T262-K270 HydrophobicContact CG2-CD 4.34Å
263	Y	94.4	Very high	94.9	Very high	61 Å²	61	54.1 Å²	54.1	24%	0.239	28%	0.282	C	S	.	.	S	Bend	trans	-63.6	-44.1	-179.5	177.6	-91.2	0	0	0	112.7	P236 F237 L238 E243 R550	P236-Y263 HydrophobicContact CB-CE2 4.48Å; P236-Y263 HydrophobicContact CG-CE2 4.23Å; P236-Y263 VanDerWaalsContact O-CD2 3.22Å; P236-Y263 WeakPolarHBondContact O-CD2 3.48Å; F237-Y263 CarbonylContact C-O 3.46Å; F237-Y263 WeakPolarHBondContact CA-O 3.27Å; L238-Y263 HydrophobicContact CB-CE1 3.88Å; L238-Y263 WeakPolarHBondContact CB-O 3.12Å; L238-Y263 HydrophobicContact CD2-CE1 4.28Å; L238-Y263 PolarHBondContact N-O 2.94Å; E243-Y263 PolarHBondContact OE1-OH 3.41Å; Y263-R550 PolarHBondContact OH-NE 2.79Å; Y263-R550 PolarHBondContact OH-NH1 2.63Å; Y263-R550 PolarHBondContact OH-NH2 2.75Å
264	N	94.2	Very high	95.2	Very high	51 Å²	51	48.1 Å²	48.1	27%	0.273	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-107.5	94.2	-175.4	-169.9	-30.2	0	0	0	110.8	E266 K267 D268	N264-E266 VanDerWaalsContact C-N 3.33Å; N264-E266 PolarHBondContact O-N 3.4Å; N264-E266 PolarHBondContact OD1-N 3.44Å; N264-K267 HydrophobicContact CB-CB 4.13Å; N264-K267 PolarHBondContact O-N 3.07Å; N264-K267 PolarHBondContact OD1-N 2.68Å; N264-K267 VanDerWaalsContact OD1-N 3.15Å; N264-D268 PolarHBondContact O-N 3.08Å
265	F	96	Very high	95.5	Very high	43 Å²	43	44.7 Å²	44.7	19%	0.189	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-38.3	-178	-178.7	-104.5	0	0	0	112.6	L238 F239 W258 K267 D268 G269 Y271	L238-F265 WeakPolarHBondContact O-CB 3.26Å; L238-F265 PolarHBondContact O-N 3.2Å; F239-F265 AromaticContact CD2-CD1 3.55Å; F239-F265 HydrophobicContact CD2-CD1 3.55Å; F239-F265 HydrophobicContact CD2-CE1 4.08Å; F239-F265 HydrophobicContact CD2-CG 4.41Å; F239-F265 AromaticContact CE2-CD1 3.95Å; F239-F265 HydrophobicContact CE2-CD1 3.95Å; F239-F265 HydrophobicContact CE2-CE1 4.01Å; W258-F265 HydrophobicContact CH2-CD1 4.09Å; W258-F265 HydrophobicContact CH2-CD2 4.37Å; W258-F265 HydrophobicContact CH2-CE1 4.08Å; W258-F265 HydrophobicContact CH2-CE2 4.41Å; W258-F265 HydrophobicContact CH2-CG 4.2Å; W258-F265 HydrophobicContact CH2-CZ 4.24Å; W258-F265 HydrophobicContact CZ3-CD1 4.45Å; W258-F265 AromaticContact CZ3-CD2 3.93Å; W258-F265 HydrophobicContact CZ3-CD2 3.93Å; W258-F265 HydrophobicContact CZ3-CE1 4.37Å; W258-F265 AromaticContact CZ3-CE2 3.9Å; W258-F265 HydrophobicContact CZ3-CE2 3.9Å; W258-F265 HydrophobicContact CZ3-CG 4.21Å; W258-F265 HydrophobicContact CZ3-CZ 4.09Å; F265-K267 PolarHBondContact O-N 2.72Å; F265-D268 PolarHBondContact O-N 2.88Å; F265-G269 VanDerWaalsContact O-CA 3.31Å; F265-G269 WeakPolarHBondContact O-CA 3.23Å; F265-G269 PolarHBondContact O-N 3.12Å; F265-Y271 HydrophobicContact CE2-CD1 4.11Å; F265-Y271 HydrophobicContact CE2-CG 4.23Å; F265-Y271 HydrophobicContact CZ-CD1 4.44Å
266	E	93.9	Very high	95.8	Very high	125 Å²	125	45 Å²	45	58%	0.584	22%	0.215	S	C	*	.	H	α-helix	trans	-62.9	-29	179.8	-67.8	176	-167.8	0	0	112.6	N240 N264	N240-E266 PolarHBondContact N-OE1 3.46Å; N264-E266 VanDerWaalsContact C-N 3.33Å; N264-E266 PolarHBondContact O-N 3.4Å; N264-E266 PolarHBondContact OD1-N 3.44Å
267	K	94.4	Very high	95.9	Very high	167 Å²	167	43.5 Å²	43.5	73%	0.726	21%	0.209	S	C	*	.	H	α-helix	trans	-86	-47.1	178	-174.7	-173.8	172.1	-168.7	0	112.5	N264 F265	N264-K267 HydrophobicContact CB-CB 4.13Å; N264-K267 PolarHBondContact O-N 3.07Å; N264-K267 PolarHBondContact OD1-N 2.68Å; N264-K267 VanDerWaalsContact OD1-N 3.15Å; F265-K267 PolarHBondContact O-N 2.72Å
268	D	96.3	Very high	95.8	Very high	72 Å²	72	45.3 Å²	45.3	39%	0.385	23%	0.226	S	C	.	.	H	α-helix	trans	-98.9	-28.1	-166.6	-55.9	-35.7	0	0	0	112.9	T262 N264 F265 K270	T262-D268 WeakPolarHBondContact CB-OD2 3.43Å; T262-D268 HydrophobicContact CG2-CB 4.07Å; T262-D268 VanDerWaalsContact OG1-CB 3.23Å; T262-D268 WeakPolarHBondContact OG1-CB 3.4Å; T262-D268 PolarHBondContact OG1-OD2 3.41Å; N264-D268 PolarHBondContact O-N 3.08Å; F265-D268 PolarHBondContact O-N 2.88Å; D268-K270 PolarHBondContact O-N 3.46Å; D268-K270 VanDerWaalsContact O-N 3.17Å
269	G	95.8	Very high	95.5	Very high	29 Å²	29	46.5 Å²	46.5	30%	0.299	23%	0.233	S	C	.	.			trans	63.5	17.1	174.3	0	0	0	0	0	116	N227 F265	N227-G269 PolarHBondContact ND2-O 3.12Å; F265-G269 VanDerWaalsContact O-CA 3.31Å; F265-G269 WeakPolarHBondContact O-CA 3.23Å; F265-G269 PolarHBondContact O-N 3.12Å
270	K	98.1	Very high	95.5	Very high	110 Å²	110	47 Å²	47	48%	0.478	24%	0.236	S	C	.	.			trans	-93.3	127.7	-179.7	-63.6	-173.4	177.2	-174.4	0	111.5	N227 A228 S260 T261 T262 D268	N227-K270 WeakPolarHBondContact OD1-CA 3.17Å; A228-K270 HydrophobicContact CB-CB 4.24Å; S260-K270 WeakPolarHBondContact CA-O 3.34Å; S260-K270 PolarHBondContact OG-O 3.23Å; T261-K270 PolarHBondContact N-O 3.02Å; T261-K270 WeakPolarHBondContact OG1-CB 3.27Å; T262-K270 HydrophobicContact CG2-CD 4.34Å; D268-K270 PolarHBondContact O-N 3.46Å; D268-K270 VanDerWaalsContact O-N 3.17Å
271	Y	98.3	Very high	95.4	Very high	70 Å²	70	47.1 Å²	47.1	28%	0.275	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	165.3	-179.7	77.6	-73.5	0	0	0	112.2	N227 A228 W258 C259 F265 F273	N227-Y271 PolarHBondContact N-O 3.22Å; N227-Y271 PolarHBondContact OD1-N 3.42Å; N227-Y271 PolarHBondContact OD1-O 3.44Å; N227-Y271 VanDerWaalsContact OD1-O 3.1Å; A228-Y271 PolarHBondContact N-O 3.12Å; W258-Y271 HydrophobicContact CB-CD2 4.5Å; W258-Y271 HydrophobicContact CE3-CD2 4.29Å; W258-Y271 HydrophobicContact CE3-CG 4.38Å; C259-Y271 VanDerWaalsContact O-CA 3.32Å; C259-Y271 WeakPolarHBondContact O-CA 3.33Å; C259-Y271 VanDerWaalsContact O-CB 3.24Å; C259-Y271 WeakPolarHBondContact O-CB 3.49Å; F265-Y271 HydrophobicContact CE2-CD1 4.11Å; F265-Y271 HydrophobicContact CE2-CG 4.23Å; F265-Y271 HydrophobicContact CZ-CD1 4.44Å; Y271-F273 HydrophobicContact CE2-CE2 4.15Å; Y271-F273 HydrophobicContact CE2-CZ 4.16Å
272	G	98	Very high	95.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	176.2	162.7	0	0	0	0	0	110.9	W258 C259	W258-G272 WeakPolarHBondContact CA-O 3.38Å; W258-G272 WeakPolarHBondContact CB-O 3.45Å; C259-G272 PolarHBondContact N-O 3.06Å; C259-G272 PolarHBondContact O-N 2.64Å
273	F	97.4	Very high	95.3	Very high	32 Å²	32	49.8 Å²	49.8	14%	0.14	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	141.6	179.5	-63.5	-83.6	0	0	0	110.6	K224 F256 L257 W258 Y271	K224-F273 PolarHBondContact N-O 2.81Å; K224-F273 WeakPolarHBondContact O-CA 3.48Å; K224-F273 WeakPolarHBondContact O-CB 3.38Å; K224-F273 PolarHBondContact O-N 3.21Å; F256-F273 HydrophobicContact CB-CD1 3.86Å; F256-F273 HydrophobicContact CB-CE1 3.95Å; F256-F273 HydrophobicContact CD1-CD1 4.28Å; F256-F273 HydrophobicContact CG-CD1 4.45Å; L257-F273 CarbonylContact O-C 3.58Å; L257-F273 WeakPolarHBondContact O-CA 3.43Å; W258-F273 HydrophobicContact CB-CD1 4.26Å; Y271-F273 HydrophobicContact CE2-CE2 4.15Å; Y271-F273 HydrophobicContact CE2-CZ 4.16Å
274	C	96.4	Very high	95.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-85.3	131.2	-179.1	-59.4	0	0	0	0	110.3	V221 C247 L257 H276 F280 A336	V221-C274 HydrophobicContact CG1-CB 4.02Å; C247-C274 HydrophobicContact CB-CB 3.61Å; C247-C274 WeakPolarHBondContact CB-SG 3.49Å; C247-C274 WeakPolarHBondContact SG-CB 3.41Å; C247-C274 CovalentContact SG-SG 2.02Å; C247-C274 PolarHBondContact SG-SG 2.71Å; L257-C274 HydrophobicContact CB-CB 3.97Å; L257-C274 PolarHBondContact O-N 3.09Å; C274-H276 PolarHBondContact O-N 3Å; C274-F280 WeakPolarHBondContact O-CE1 3.29Å; C274-A336 HydrophobicContact CB-CB 3.61Å
275	P	95.6	Very high	95.4	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.019	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-55.8	129.3	176.3	-27.7	36.9	0	0	0	112.5	R222 K224 F280 E334 A336	R222-P275 WeakPolarHBondContact O-CD 3.42Å; R222-P275 WeakPolarHBondContact O-CG 3.33Å; K224-P275 HydrophobicContact CG-CG 3.8Å; P275-F280 HydrophobicContact CB-CZ 4.45Å; P275-E334 HydrophobicContact CB-CB 4.01Å; P275-E334 HydrophobicContact CB-CG 4.47Å; P275-E334 VanDerWaalsContact CB-O 3.25Å; P275-E334 WeakPolarHBondContact CB-O 3.48Å; P275-E334 HydrophobicContact CG-CB 4.21Å; P275-E334 HydrophobicContact CG-CG 4.47Å; P275-A336 VanDerWaalsContact O-CB 3.25Å; P275-A336 WeakPolarHBondContact O-CB 3.39Å; P275-A336 PolarHBondContact O-N 3.28Å
276	H	93.4	Very high	95.4	Very high	39 Å²	39	47.3 Å²	47.3	18%	0.181	26%	0.262	C	S	.	.			trans	-159.5	126.2	169.3	-165.7	-69.3	0	0	0	108.7	L257 C274 A278 L279 F280	L257-H276 HydrophobicContact CD1-CB 4.48Å; C274-H276 PolarHBondContact O-N 3Å; H276-A278 WeakPolarHBondContact ND1-CB 3.38Å; H276-A278 PolarHBondContact ND1-N 3.47Å; H276-A278 PolarHBondContact O-N 3.03Å; H276-L279 HydrophobicContact CB-CB 4.45Å; H276-L279 HydrophobicContact CB-CD1 4.05Å; H276-L279 HydrophobicContact CB-CG 4.18Å; H276-L279 WeakPolarHBondContact O-CA 3.44Å; H276-L279 WeakPolarHBondContact O-CB 3.49Å; H276-L279 PolarHBondContact O-N 3.3Å; H276-F280 PolarHBondContact O-N 3.49Å; H276-F280 VanDerWaalsContact O-O 3.07Å
277	E	92.1	Very high	95.5	Very high	28 Å²	28	49.6 Å²	49.6	13%	0.131	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.3	-171.8	60.5	-98.6	-133.7	0	0	114	L279 P290 C291 F293 C332 T335	E277-L279 PolarHBondContact O-N 2.81Å; E277-P290 WeakPolarHBondContact O-CA 3.25Å; E277-C291 HydrophobicContact CB-CB 4.38Å; E277-C291 VanDerWaalsContact CB-SG 3.58Å; E277-C291 PolarHBondContact O-N 2.72Å; E277-F293 HydrophobicContact CG-CE2 3.82Å; E277-F293 HydrophobicContact CG-CZ 4.05Å; E277-C332 HydrophobicContact CB-CB 4.2Å; E277-T335 VanDerWaalsContact OE2-CG2 3.27Å; E277-T335 WeakPolarHBondContact OE2-CG2 3.48Å; E277-T335 PolarHBondContact OE2-OG1 3.42Å
278	A	90.8	Very high	95.5	Very high	56 Å²	56	42.6 Å²	42.6	46%	0.463	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.5	171.5	0	0	0	0	0	114.1	H276 P290	H276-A278 WeakPolarHBondContact ND1-CB 3.38Å; H276-A278 PolarHBondContact ND1-N 3.47Å; H276-A278 PolarHBondContact O-N 3.03Å; A278-P290 WeakPolarHBondContact O-CB 3.35Å
279	L	91.8	Very high	95.6	Very high	37 Å²	37	44.9 Å²	44.9	19%	0.194	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-49.3	179.9	-62.9	179.1	0	0	0	111.8	F256 L257 H276 E277	F256-L279 HydrophobicContact CD1-CB 4.26Å; F256-L279 HydrophobicContact CD1-CD1 4.46Å; F256-L279 HydrophobicContact CE1-CB 4.07Å; L257-L279 HydrophobicContact CB-CD1 4.05Å; L257-L279 HydrophobicContact CD1-CD1 4.22Å; L257-L279 HydrophobicContact CG-CD1 3.86Å; H276-L279 HydrophobicContact CB-CB 4.45Å; H276-L279 HydrophobicContact CB-CD1 4.05Å; H276-L279 HydrophobicContact CB-CG 4.18Å; H276-L279 WeakPolarHBondContact O-CA 3.44Å; H276-L279 WeakPolarHBondContact O-CB 3.49Å; H276-L279 PolarHBondContact O-N 3.3Å; E277-L279 PolarHBondContact O-N 2.81Å
280	F	95.8	Very high	95.6	Very high	12 Å²	12	45.6 Å²	45.6	5%	0.053	26%	0.256	C	S	.	.			trans	-157.6	161.7	179	68.1	-84.5	0	0	0	111.4	K224 Y225 F256 C274 P275 H276 M282 G288	K224-F280 HydrophobicContact CB-CE2 4.03Å; K224-F280 HydrophobicContact CB-CZ 3.85Å; K224-F280 HydrophobicContact CG-CE2 4.07Å; K224-F280 HydrophobicContact CG-CZ 4.01Å; Y225-F280 HydrophobicContact CE2-CD2 4.08Å; Y225-F280 AromaticContact CE2-CE2 3.95Å; Y225-F280 HydrophobicContact CE2-CE2 3.95Å; Y225-F280 HydrophobicContact CE2-CZ 4.49Å; F256-F280 HydrophobicContact CD1-CD1 4.27Å; F256-F280 HydrophobicContact CE1-CB 4.34Å; F256-F280 AromaticContact CE1-CD1 3.82Å; F256-F280 HydrophobicContact CE1-CD1 3.82Å; F256-F280 HydrophobicContact CE1-CG 4.47Å; C274-F280 WeakPolarHBondContact O-CE1 3.29Å; P275-F280 HydrophobicContact CB-CZ 4.45Å; H276-F280 PolarHBondContact O-N 3.49Å; H276-F280 VanDerWaalsContact O-O 3.07Å; F280-M282 HydrophobicContact CD2-SD 4.21Å; F280-M282 HydrophobicContact CE2-CG 4.44Å; F280-M282 HydrophobicContact CE2-SD 3.84Å; F280-G288 WeakPolarHBondContact CA-O 3.41Å; F280-G288 VanDerWaalsContact CB-O 3.27Å; F280-G288 WeakPolarHBondContact CB-O 3.5Å
281	T	96.8	Very high	95.5	Very high	2 Å²	2	41 Å²	41	1%	0.012	24%	0.238	C	C	.	.			trans	-117.6	165.8	173.7	56.7	0	0	0	0	111.2	G288 Q289 C291 T319	T281-G288 PolarHBondContact N-O 3.03Å; T281-G288 WeakPolarHBondContact O-CA 3.28Å; T281-Q289 WeakPolarHBondContact CB-O 3.43Å; T281-Q289 VanDerWaalsContact CG2-O 3.27Å; T281-Q289 WeakPolarHBondContact CG2-O 3.5Å; T281-Q289 PolarHBondContact N-O 3.1Å; T281-Q289 PolarHBondContact OG1-O 3.48Å; T281-C291 VanDerWaalsContact CG2-SG 3.52Å; T281-T319 HydrophobicContact CG2-CG2 4.2Å
282	M	95.9	Very high	95.5	Very high	54 Å²	54	41.6 Å²	41.6	27%	0.266	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-109	142.5	177.2	-65.8	-63	-71.2	0	0	111.3	K224 F280 F331 P333	K224-M282 HydrophobicContact CD-CE 3.95Å; K224-M282 HydrophobicContact CD-SD 4.31Å; K224-M282 HydrophobicContact CG-SD 4.37Å; F280-M282 HydrophobicContact CD2-SD 4.21Å; F280-M282 HydrophobicContact CE2-CG 4.44Å; F280-M282 HydrophobicContact CE2-SD 3.84Å; M282-F331 PolarHBondContact N-O 3.1Å; M282-F331 WeakPolarHBondContact O-CB 3.25Å; M282-F331 WeakPolarHBondContact O-CD2 3.04Å; M282-F331 PolarHBondContact O-N 3.14Å; M282-P333 HydrophobicContact CB-CG 4.06Å; M282-P333 HydrophobicContact CG-CG 3.72Å
283	G	95.1	Very high	95.3	Very high	54 Å²	54	44.3 Å²	44.3	56%	0.557	25%	0.254	S	S	*	.	S	Bend	trans	58.4	-140.4	175.9	0	0	0	0	0	113.7
284	G	95.3	Very high	95.3	Very high	36 Å²	36	45.9 Å²	45.9	37%	0.371	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	-146.9	-177.3	0	0	0	0	0	112.8
285	N	97.1	Very high	95.3	Very high	63 Å²	63	45.9 Å²	45.9	34%	0.337	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	12.2	177.8	67.5	5.3	0	0	0	112.8	K327 K328 Y329	N285-K327 PolarHBondContact ND2-O 3.12Å; N285-K327 PolarHBondContact OD1-O 3.2Å; N285-K328 PolarHBondContact O-NZ 3.46Å; N285-K328 WeakPolarHBondContact OD1-CA 3.17Å; N285-Y329 HydrophobicContact CB-CE1 4.47Å; N285-Y329 PolarHBondContact N-O 3.41Å; N285-Y329 WeakPolarHBondContact OD1-CD1 3.38Å; N285-Y329 PolarHBondContact OD1-N 2.72Å; N285-Y329 PolarHBondContact OD1-O 3.29Å
286	A	96	Very high	95.4	Very high	5 Å²	5	51.9 Å²	51.9	4%	0.041	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.3	178.3	0	0	0	0	0	113.8	G288 Q289 T319 Y329	A286-G288 PolarHBondContact O-N 2.9Å; A286-Q289 HydrophobicContact CB-CB 4.39Å; A286-Q289 WeakPolarHBondContact O-CB 3.43Å; A286-Q289 WeakPolarHBondContact O-CG 3.45Å; A286-Q289 PolarHBondContact O-N 2.85Å; A286-Q289 VanDerWaalsContact O-N 3.12Å; A286-T319 HydrophobicContact CB-CG2 3.44Å; A286-T319 VanDerWaalsContact CB-CG2 3.44Å; A286-T319 VanDerWaalsContact CB-OG1 3.27Å; A286-T319 WeakPolarHBondContact CB-OG1 3.39Å; A286-Y329 WeakPolarHBondContact CB-O 3.18Å; A286-Y329 PolarHBondContact N-O 3.46Å; A286-Y329 VanDerWaalsContact N-O 3.1Å
287	E	96.1	Very high	95.6	Very high	173 Å²	173	50.7 Å²	50.7	81%	0.808	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	39.9	176.4	-59.9	174.2	-167.3	0	0	112.8	Q289	E287-Q289 VanDerWaalsContact C-N 3.33Å; E287-Q289 PolarHBondContact O-N 3.23Å
288	G	94.1	Very high	95.8	Very high	20 Å²	20	56.5 Å²	56.5	21%	0.206	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	4.9	177.9	0	0	0	0	0	115.4	F280 T281 A286	F280-G288 WeakPolarHBondContact CA-O 3.41Å; F280-G288 VanDerWaalsContact CB-O 3.27Å; F280-G288 WeakPolarHBondContact CB-O 3.5Å; T281-G288 PolarHBondContact N-O 3.03Å; T281-G288 WeakPolarHBondContact O-CA 3.28Å; A286-G288 PolarHBondContact O-N 2.9Å
289	Q	97.2	Very high	95.8	Very high	119 Å²	119	56.3 Å²	56.3	56%	0.556	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-61.6	146.8	176.1	-68.9	-60.2	-59.2	0	0	111.8	T281 A286 E287	T281-Q289 WeakPolarHBondContact CB-O 3.43Å; T281-Q289 VanDerWaalsContact CG2-O 3.27Å; T281-Q289 WeakPolarHBondContact CG2-O 3.5Å; T281-Q289 PolarHBondContact N-O 3.1Å; T281-Q289 PolarHBondContact OG1-O 3.48Å; A286-Q289 HydrophobicContact CB-CB 4.39Å; A286-Q289 WeakPolarHBondContact O-CB 3.43Å; A286-Q289 WeakPolarHBondContact O-CG 3.45Å; A286-Q289 PolarHBondContact O-N 2.85Å; A286-Q289 VanDerWaalsContact O-N 3.12Å; E287-Q289 VanDerWaalsContact C-N 3.33Å; E287-Q289 PolarHBondContact O-N 3.23Å
290	P	96.9	Very high	96	Very high	45 Å²	45	58 Å²	58	29%	0.292	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-63.8	158.4	176.7	27	-34.8	0	0	0	111.8	E277 A278 T319	E277-P290 WeakPolarHBondContact O-CA 3.25Å; A278-P290 WeakPolarHBondContact O-CB 3.35Å; P290-T319 WeakPolarHBondContact O-CB 3.29Å; P290-T319 WeakPolarHBondContact O-CG2 3.33Å
291	C	96.4	Very high	96.1	Very high	13 Å²	13	61.3 Å²	61.3	9%	0.088	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-61.5	147.3	168.1	-62.6	0	0	0	0	110.9	E277 T281 F293 C305 C317 C332	E277-C291 HydrophobicContact CB-CB 4.38Å; E277-C291 VanDerWaalsContact CB-SG 3.58Å; E277-C291 PolarHBondContact O-N 2.72Å; T281-C291 VanDerWaalsContact CG2-SG 3.52Å; C291-F293 HydrophobicContact CB-CD2 4.27Å; C291-F293 HydrophobicContact CB-CE1 3.96Å; C291-F293 HydrophobicContact CB-CE2 3.62Å; C291-F293 HydrophobicContact CB-CZ 3.44Å; C291-F293 VanDerWaalsContact CB-CZ 3.44Å; C291-C305 VanDerWaalsContact SG-SG 3.69Å; C291-C317 WeakPolarHBondContact CA-SG 3.27Å; C291-C317 HydrophobicContact CB-CB 3.72Å; C291-C317 WeakPolarHBondContact CB-SG 3.49Å; C291-C317 WeakPolarHBondContact SG-CB 3.23Å; C291-C317 CovalentContact SG-SG 2Å; C291-C317 PolarHBondContact SG-SG 3.23Å; C291-C332 VanDerWaalsContact SG-SG 3.64Å
292	K	97.7	Very high	95.9	Very high	83 Å²	83	62.9 Å²	62.9	36%	0.361	36%	0.357	S	S	.	.			trans	-105.8	106	173.9	177.8	55.5	176.4	178.3	0	108.5	P294 F295 G318 E321	K292-P294 CarbonylContact O-C 3.18Å; K292-F295 WeakPolarHBondContact O-CB 3.35Å; K292-F295 PolarHBondContact O-N 3.07Å; K292-G318 PolarHBondContact N-O 3.15Å; K292-E321 HydrophobicContact CD-CG 4.1Å; K292-E321 WeakPolarHBondContact CE-OE1 3.4Å; K292-E321 HydrophobicContact CG-CB 4.46Å; K292-E321 HydrophobicContact CG-CG 3.65Å; K292-E321 IonicContact NZ-OE1 3.13Å; K292-E321 PolarHBondContact NZ-OE1 3.4Å; K292-E321 VanDerWaalsContact NZ-OE1 3.13Å
293	F	94.1	Very high	95.6	Very high	57 Å²	57	65.2 Å²	65.2	25%	0.25	37%	0.37	C	S	.	.	S	Bend	trans	-99.9	136.6	176.6	-61.6	-53.5	0	0	0	112.4	E277 C291 F295 D303 C317	E277-F293 HydrophobicContact CG-CE2 3.82Å; E277-F293 HydrophobicContact CG-CZ 4.05Å; C291-F293 HydrophobicContact CB-CD2 4.27Å; C291-F293 HydrophobicContact CB-CE1 3.96Å; C291-F293 HydrophobicContact CB-CE2 3.62Å; C291-F293 HydrophobicContact CB-CZ 3.44Å; C291-F293 VanDerWaalsContact CB-CZ 3.44Å; F293-F295 HydrophobicContact CD1-CD1 4.08Å; F293-F295 HydrophobicContact CD1-CE1 4.43Å; F293-F295 HydrophobicContact CE1-CD1 4.04Å; F293-F295 AromaticContact CE1-CE1 3.99Å; F293-F295 HydrophobicContact CE1-CE1 3.99Å; F293-D303 WeakPolarHBondContact CD1-O 3.43Å; F293-D303 WeakPolarHBondContact CG-O 3.28Å; F293-C317 HydrophobicContact CE1-CB 4.28Å; F293-C317 HydrophobicContact CZ-CB 4.44Å
294	P	95.9	Very high	95.4	Very high	64 Å²	64	66 Å²	66	42%	0.416	37%	0.367	S	S	.	.	S	Bend	cis	-73.4	155.8	-14.5	32.6	-35.6	0	0	0	111.9	K292 S301 Y302	K292-P294 CarbonylContact O-C 3.18Å; P294-S301 WeakPolarHBondContact CB-OG 3.4Å; P294-Y302 CarbonylContact C-O 3.47Å; P294-Y302 WeakPolarHBondContact CA-O 3.35Å; P294-Y302 WeakPolarHBondContact CB-O 3.12Å
295	F	97.6	Very high	95.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.4	169.3	71.7	-86.1	0	0	0	111.9	K292 F293 F297 S301 Y302 T306 W316 C317 T320	K292-F295 WeakPolarHBondContact O-CB 3.35Å; K292-F295 PolarHBondContact O-N 3.07Å; F293-F295 HydrophobicContact CD1-CD1 4.08Å; F293-F295 HydrophobicContact CD1-CE1 4.43Å; F293-F295 HydrophobicContact CE1-CD1 4.04Å; F293-F295 AromaticContact CE1-CE1 3.99Å; F293-F295 HydrophobicContact CE1-CE1 3.99Å; F295-F297 HydrophobicContact CD2-CB 4.39Å; F295-F297 HydrophobicContact CE2-CB 4.07Å; F295-S301 CarbonylContact O-C 3.52Å; F295-S301 WeakPolarHBondContact O-CA 3.34Å; F295-Y302 HydrophobicContact CE1-CG 4.39Å; F295-Y302 AromaticContact CE2-CD2 3.99Å; F295-Y302 HydrophobicContact CE2-CD2 3.99Å; F295-Y302 HydrophobicContact CE2-CG 4.27Å; F295-Y302 HydrophobicContact CZ-CD2 4.14Å; F295-Y302 AromaticContact CZ-CG 3.95Å; F295-Y302 HydrophobicContact CZ-CG 3.95Å; F295-Y302 PolarHBondContact N-O 3.48Å; F295-Y302 PolarHBondContact O-N 3.31Å; F295-T306 HydrophobicContact CZ-CG2 4.2Å; F295-W316 HydrophobicContact CE2-CH2 4.21Å; F295-W316 HydrophobicContact CE2-CZ3 4.18Å; F295-C317 HydrophobicContact CD1-CB 4.25Å; F295-C317 HydrophobicContact CE1-CB 3.73Å; F295-C317 HydrophobicContact CZ-CB 4.26Å; F295-T320 WeakPolarHBondContact CB-O 3.39Å
296	R	97.7	Very high	95.2	Very high	130 Å²	130	62.9 Å²	62.9	49%	0.491	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.7	178.3	-171.7	-178.2	-176.3	-179.1	1.7	112.2	T300 E321 Y323	R296-T300 CarbonylContact C-O 3.59Å; R296-T300 WeakPolarHBondContact CA-O 3.31Å; R296-E321 PolarHBondContact N-O 3.44Å; R296-Y323 WeakPolarHBondContact O-CB 3.49Å; R296-Y323 PolarHBondContact O-N 2.95Å
297	F	97.6	Very high	95.1	Very high	14 Å²	14	65.7 Å²	65.7	6%	0.061	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	125.6	170.8	170.4	-125.1	0	0	0	110.6	F295 G299 T300 Y302 E308 W316 Y323 D324	F295-F297 HydrophobicContact CD2-CB 4.39Å; F295-F297 HydrophobicContact CE2-CB 4.07Å; F297-G299 PolarHBondContact O-N 3.01Å; F297-T300 PolarHBondContact N-O 3.46Å; F297-T300 PolarHBondContact O-N 3.24Å; F297-Y302 HydrophobicContact CB-CD2 4.11Å; F297-Y302 HydrophobicContact CB-CE2 3.85Å; F297-Y302 AromaticContact CD1-CE2 3.95Å; F297-Y302 HydrophobicContact CD1-CE2 3.95Å; F297-Y302 HydrophobicContact CG-CE2 4.39Å; F297-E308 HydrophobicContact CD1-CB 4.45Å; F297-E308 HydrophobicContact CD1-CG 4.3Å; F297-E308 HydrophobicContact CE1-CB 4.12Å; F297-E308 HydrophobicContact CE1-CG 3.81Å; F297-W316 HydrophobicContact CB-CH2 4.3Å; F297-W316 HydrophobicContact CD1-CH2 4.03Å; F297-W316 AromaticContact CD1-CZ2 3.74Å; F297-W316 HydrophobicContact CD1-CZ2 3.74Å; F297-W316 AromaticContact CD2-CH2 3.98Å; F297-W316 HydrophobicContact CD2-CH2 3.98Å; F297-W316 HydrophobicContact CD2-CZ2 4.33Å; F297-W316 HydrophobicContact CE1-CH2 4.31Å; F297-W316 AromaticContact CE1-CZ2 3.71Å; F297-W316 HydrophobicContact CE1-CZ2 3.71Å; F297-W316 HydrophobicContact CE2-CH2 4.23Å; F297-W316 HydrophobicContact CE2-CZ2 4.28Å; F297-W316 AromaticContact CG-CH2 3.85Å; F297-W316 HydrophobicContact CG-CH2 3.85Å; F297-W316 HydrophobicContact CG-CZ2 4.05Å; F297-W316 HydrophobicContact CZ-CH2 4.39Å; F297-W316 AromaticContact CZ-CZ2 3.98Å; F297-W316 HydrophobicContact CZ-CZ2 3.98Å; F297-Y323 HydrophobicContact CB-CD1 4.27Å; F297-Y323 AromaticContact CD2-CD1 3.42Å; F297-Y323 HydrophobicContact CD2-CD1 3.42Å; F297-Y323 VanDerWaalsContact CD2-CD1 3.42Å; F297-Y323 AromaticContact CD2-CE1 3.54Å; F297-Y323 HydrophobicContact CD2-CE1 3.54Å; F297-Y323 HydrophobicContact CE2-CD1 4.06Å; F297-Y323 AromaticContact CE2-CE1 3.67Å; F297-Y323 HydrophobicContact CE2-CE1 3.67Å; F297-Y323 HydrophobicContact CG-CD1 4.16Å; F297-D324 WeakPolarHBondContact CD2-OD1 3.26Å
298	Q	95.1	Very high	95.1	Very high	149 Å²	149	62.3 Å²	62.3	70%	0.696	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	34.4	-179.4	-66.5	-173	12.8	0	0	114.9	T300 D324	Q298-T300 VanDerWaalsContact C-N 3.34Å; Q298-D324 PolarHBondContact N-OD1 2.83Å; Q298-D324 PolarHBondContact N-OD2 2.88Å
299	G	91.9	Very high	95.1	Very high	52 Å²	52	64.7 Å²	64.7	54%	0.536	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-3.8	179.6	0	0	0	0	0	115.4	F297	F297-G299 PolarHBondContact O-N 3.01Å
300	T	96.3	Very high	94.9	Very high	72 Å²	72	63 Å²	63	44%	0.442	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	142.5	172.2	-58.1	0	0	0	0	109.9	R296 F297 Q298 Y302	R296-T300 CarbonylContact C-O 3.59Å; R296-T300 WeakPolarHBondContact CA-O 3.31Å; F297-T300 PolarHBondContact N-O 3.46Å; F297-T300 PolarHBondContact O-N 3.24Å; Q298-T300 VanDerWaalsContact C-N 3.34Å; T300-Y302 HydrophobicContact CG2-CD2 4.21Å; T300-Y302 HydrophobicContact CG2-CE1 4.28Å; T300-Y302 HydrophobicContact CG2-CE2 3.7Å
301	S	96.5	Very high	94.8	Very high	82 Å²	82	65.6 Å²	65.6	57%	0.573	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.6	174.9	-165.3	0	0	0	0	108.7	P294 F295	P294-S301 WeakPolarHBondContact CB-OG 3.4Å; F295-S301 CarbonylContact O-C 3.52Å; F295-S301 WeakPolarHBondContact O-CA 3.34Å
302	Y	92.6	Very high	94.6	Very high	36 Å²	36	67.4 Å²	67.4	14%	0.141	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.4	-178.1	-66.4	-92.9	0	0	0	109.9	P294 F295 F297 T300 T306 E308	P294-Y302 CarbonylContact C-O 3.47Å; P294-Y302 WeakPolarHBondContact CA-O 3.35Å; P294-Y302 WeakPolarHBondContact CB-O 3.12Å; F295-Y302 HydrophobicContact CE1-CG 4.39Å; F295-Y302 AromaticContact CE2-CD2 3.99Å; F295-Y302 HydrophobicContact CE2-CD2 3.99Å; F295-Y302 HydrophobicContact CE2-CG 4.27Å; F295-Y302 HydrophobicContact CZ-CD2 4.14Å; F295-Y302 AromaticContact CZ-CG 3.95Å; F295-Y302 HydrophobicContact CZ-CG 3.95Å; F295-Y302 PolarHBondContact N-O 3.48Å; F295-Y302 PolarHBondContact O-N 3.31Å; F297-Y302 HydrophobicContact CB-CD2 4.11Å; F297-Y302 HydrophobicContact CB-CE2 3.85Å; F297-Y302 AromaticContact CD1-CE2 3.95Å; F297-Y302 HydrophobicContact CD1-CE2 3.95Å; F297-Y302 HydrophobicContact CG-CE2 4.39Å; T300-Y302 HydrophobicContact CG2-CD2 4.21Å; T300-Y302 HydrophobicContact CG2-CE1 4.28Å; T300-Y302 HydrophobicContact CG2-CE2 3.7Å; Y302-T306 HydrophobicContact CD1-CG2 3.8Å; Y302-T306 HydrophobicContact CE1-CG2 3.81Å; Y302-T306 HydrophobicContact CG-CG2 4.27Å; Y302-E308 HydrophobicContact CE1-CB 4.38Å; Y302-E308 WeakPolarHBondContact OH-CG 3.43Å
303	D	90.5	Very high	94.3	Very high	103 Å²	103	63.7 Å²	63.7	55%	0.551	37%	0.366	S	S	*	.	S	Bend	trans	-103.9	5.6	178.8	-149.6	47.4	0	0	0	112.8	F293	F293-D303 WeakPolarHBondContact CD1-O 3.43Å; F293-D303 WeakPolarHBondContact CG-O 3.28Å
304	S	90.6	Very high	94.4	Very high	70 Å²	70	65 Å²	65	49%	0.49	37%	0.37	S	S	.	.	S	Bend	trans	-148.3	170.1	176	63.4	0	0	0	0	109.7
305	C	93.9	Very high	94.5	Very high	12 Å²	12	63.6 Å²	63.6	8%	0.081	36%	0.357	C	S	.	.			trans	-65.4	144.2	171.4	-52.7	0	0	0	0	110.4	C291 R315 W316 C317 C332	C291-C305 VanDerWaalsContact SG-SG 3.69Å; C305-R315 HydrophobicContact CB-CB 3.87Å; C305-W316 CarbonylContact C-O 3.57Å; C305-W316 VanDerWaalsContact CA-O 3.3Å; C305-W316 WeakPolarHBondContact CA-O 3.49Å; C305-C317 HydrophobicContact CB-CB 4.44Å; C305-C332 HydrophobicContact CB-CB 3.65Å; C305-C332 WeakPolarHBondContact CB-SG 3.28Å; C305-C332 WeakPolarHBondContact SG-CB 3.32Å; C305-C332 CovalentContact SG-SG 2.04Å; C305-C332 PolarHBondContact SG-SG 3.18Å
306	T	93.8	Very high	94.5	Very high	21 Å²	21	64 Å²	64	13%	0.129	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-127.4	162.4	-176.8	-172	0	0	0	0	111.2	F295 Y302 E308 R315 W316	F295-T306 HydrophobicContact CZ-CG2 4.2Å; Y302-T306 HydrophobicContact CD1-CG2 3.8Å; Y302-T306 HydrophobicContact CE1-CG2 3.81Å; Y302-T306 HydrophobicContact CG-CG2 4.27Å; T306-E308 HydrophobicContact CG2-CB 3.95Å; T306-E308 PolarHBondContact OG1-N 2.84Å; T306-E308 VanDerWaalsContact OG1-N 3.15Å; T306-R315 CarbonylContact O-C 3.42Å; T306-R315 WeakPolarHBondContact O-CA 3.14Å; T306-W316 PolarHBondContact N-O 2.81Å; T306-W316 PolarHBondContact O-N 2.87Å
307	T	95.3	Very high	94.5	Very high	64 Å²	64	57.8 Å²	57.8	39%	0.393	34%	0.335	S	S	.	.			trans	-100.5	1.4	168.5	54.2	0	0	0	0	112.1	G309 R310 G313 R315	T307-G309 PolarHBondContact O-N 3.17Å; T307-R310 WeakPolarHBondContact O-CB 3.44Å; T307-R310 PolarHBondContact O-N 2.93Å; T307-G313 WeakPolarHBondContact CG2-O 3.46Å; T307-R315 HydrophobicContact CG2-CG 4.09Å
308	E	95.6	Very high	94.5	Very high	102 Å²	102	57.1 Å²	57.1	48%	0.477	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	133.6	-179.1	-168.6	70.1	-145.9	0	0	111.4	F297 Y302 T306 R310 W316	F297-E308 HydrophobicContact CD1-CB 4.45Å; F297-E308 HydrophobicContact CD1-CG 4.3Å; F297-E308 HydrophobicContact CE1-CB 4.12Å; F297-E308 HydrophobicContact CE1-CG 3.81Å; Y302-E308 HydrophobicContact CE1-CB 4.38Å; Y302-E308 WeakPolarHBondContact OH-CG 3.43Å; T306-E308 HydrophobicContact CG2-CB 3.95Å; T306-E308 PolarHBondContact OG1-N 2.84Å; T306-E308 VanDerWaalsContact OG1-N 3.15Å; E308-R310 VanDerWaalsContact C-N 3.26Å; E308-R310 PolarHBondContact O-N 3.34Å; E308-W316 PolarHBondContact O-NE1 3.16Å
309	G	93.2	Very high	94.6	Very high	70 Å²	70	51 Å²	51	72%	0.722	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	8.1	-177.8	0	0	0	0	0	114.9	T307	T307-G309 PolarHBondContact O-N 3.17Å
310	R	94.5	Very high	94.9	Very high	85 Å²	85	50.2 Å²	50.2	32%	0.321	29%	0.29	S	S	.	.			trans	-121.4	154.7	175.6	-53.6	-162	69.5	84.6	2.9	112.1	T307 E308 D312 Y314	T307-R310 WeakPolarHBondContact O-CB 3.44Å; T307-R310 PolarHBondContact O-N 2.93Å; E308-R310 VanDerWaalsContact C-N 3.26Å; E308-R310 PolarHBondContact O-N 3.34Å; R310-D312 WeakPolarHBondContact CB-OD1 3.38Å; R310-D312 IonicContact CZ-OD1 2.62Å; R310-D312 IonicContact CZ-OD2 3.57Å; R310-D312 IonicContact NE-OD1 2.81Å; R310-D312 PolarHBondContact NE-OD1 3.19Å; R310-D312 IonicContact NE-OD2 2.98Å; R310-D312 PolarHBondContact NE-OD2 3.45Å; R310-D312 IonicContact NH2-OD1 3.83Å; R310-D312 IonicContact NH2-OD2 3.29Å; R310-D312 PolarHBondContact NH2-OD2 2.95Å; R310-Y314 WeakPolarHBondContact CD-O 3.29Å
311	T	93.6	Very high	94.9	Very high	99 Å²	99	52.5 Å²	52.5	61%	0.607	30%	0.295	S	S	*	.	S	Bend	trans	-119.3	-5.7	179.1	55.3	0	0	0	0	113.3	R127	R127-T311 PolarHBondContact NH2-O 2.92Å
312	D	91.9	Very high	95	Very high	50 Å²	50	50 Å²	50	27%	0.267	28%	0.276	S	S	.	.	S	Bend	trans	-89.9	-3.8	178.2	54.6	19.3	0	0	0	113	Y131 R310 Y314	Y131-D312 WeakPolarHBondContact CE2-O 3.31Å; R310-D312 WeakPolarHBondContact CB-OD1 3.38Å; R310-D312 IonicContact CZ-OD1 2.62Å; R310-D312 IonicContact CZ-OD2 3.57Å; R310-D312 IonicContact NE-OD1 2.81Å; R310-D312 PolarHBondContact NE-OD1 3.19Å; R310-D312 IonicContact NE-OD2 2.98Å; R310-D312 PolarHBondContact NE-OD2 3.45Å; R310-D312 IonicContact NH2-OD1 3.83Å; R310-D312 IonicContact NH2-OD2 3.29Å; R310-D312 PolarHBondContact NH2-OD2 2.95Å; D312-Y314 HydrophobicContact CB-CD2 3.99Å; D312-Y314 HydrophobicContact CB-CE2 4.24Å; D312-Y314 VanDerWaalsContact CG-CD2 3.48Å; D312-Y314 PolarHBondContact O-N 3.49Å; D312-Y314 PolarHBondContact OD1-N 3.15Å; D312-Y314 VanDerWaalsContact OD1-N 3.13Å
313	G	92.8	Very high	95.2	Very high	5 Å²	5	50.9 Å²	50.9	5%	0.052	28%	0.279	C	S	.	.			trans	74.6	3.6	179.6	0	0	0	0	0	114.6	I129 T307 R315	I129-G313 WeakPolarHBondContact O-CA 3.36Å; T307-G313 WeakPolarHBondContact CG2-O 3.46Å; G313-R315 PolarHBondContact O-N 2.68Å
314	Y	95.7	Very high	95.4	Very high	85 Å²	85	49 Å²	49	33%	0.333	27%	0.269	S	S	.	.			trans	-77	125.6	-178.8	-66.2	-36.7	0	0	0	112	Y131 P137 R310 D312	Y131-Y314 HydrophobicContact CD2-CD1 4.42Å; Y131-Y314 HydrophobicContact CD2-CE1 4.49Å; Y131-Y314 HydrophobicContact CE2-CD1 4.3Å; Y131-Y314 AromaticContact CE2-CE1 3.99Å; Y131-Y314 HydrophobicContact CE2-CE1 3.99Å; P137-Y314 HydrophobicContact CB-CD1 4.47Å; P137-Y314 HydrophobicContact CB-CE1 3.71Å; P137-Y314 HydrophobicContact CG-CD1 4.14Å; P137-Y314 HydrophobicContact CG-CE1 3.82Å; R310-Y314 WeakPolarHBondContact CD-O 3.29Å; D312-Y314 HydrophobicContact CB-CD2 3.99Å; D312-Y314 HydrophobicContact CB-CE2 4.24Å; D312-Y314 VanDerWaalsContact CG-CD2 3.48Å; D312-Y314 PolarHBondContact O-N 3.49Å; D312-Y314 PolarHBondContact OD1-N 3.15Å; D312-Y314 VanDerWaalsContact OD1-N 3.13Å
315	R	97	Very high	95.8	Very high	34 Å²	34	53.2 Å²	53.2	13%	0.128	27%	0.274	C	S	.	.			trans	-68	135.4	173.6	-61.9	-168	-55.5	-74.4	-9	110.4	T132 P133 C305 T306 T307 G313 F331 C332	T132-R315 VanDerWaalsContact C-NH1 3.32Å; T132-R315 PolarHBondContact O-NH1 2.85Å; T132-R315 VanDerWaalsContact O-NH1 3.13Å; P133-R315 VanDerWaalsContact CA-CZ 3.46Å; P133-R315 VanDerWaalsContact CA-NH1 3.25Å; C305-R315 HydrophobicContact CB-CB 3.87Å; T306-R315 CarbonylContact O-C 3.42Å; T306-R315 WeakPolarHBondContact O-CA 3.14Å; T307-R315 HydrophobicContact CG2-CG 4.09Å; G313-R315 PolarHBondContact O-N 2.68Å; R315-F331 WeakPolarHBondContact O-CA 3.35Å; R315-C332 HydrophobicContact CB-CB 4.16Å; R315-C332 PolarHBondContact NH2-O 2.93Å; R315-C332 PolarHBondContact O-N 3.29Å
316	W	98.1	Very high	95.9	Very high	8 Å²	8	55.5 Å²	55.5	3%	0.03	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	161.6	177.4	74.5	-80.7	0	0	0	110.9	F295 F297 C305 T306 E308 Y323 Y329 G330 F331	F295-W316 HydrophobicContact CE2-CH2 4.21Å; F295-W316 HydrophobicContact CE2-CZ3 4.18Å; F297-W316 HydrophobicContact CB-CH2 4.3Å; F297-W316 HydrophobicContact CD1-CH2 4.03Å; F297-W316 AromaticContact CD1-CZ2 3.74Å; F297-W316 HydrophobicContact CD1-CZ2 3.74Å; F297-W316 AromaticContact CD2-CH2 3.98Å; F297-W316 HydrophobicContact CD2-CH2 3.98Å; F297-W316 HydrophobicContact CD2-CZ2 4.33Å; F297-W316 HydrophobicContact CE1-CH2 4.31Å; F297-W316 AromaticContact CE1-CZ2 3.71Å; F297-W316 HydrophobicContact CE1-CZ2 3.71Å; F297-W316 HydrophobicContact CE2-CH2 4.23Å; F297-W316 HydrophobicContact CE2-CZ2 4.28Å; F297-W316 AromaticContact CG-CH2 3.85Å; F297-W316 HydrophobicContact CG-CH2 3.85Å; F297-W316 HydrophobicContact CG-CZ2 4.05Å; F297-W316 HydrophobicContact CZ-CH2 4.39Å; F297-W316 AromaticContact CZ-CZ2 3.98Å; F297-W316 HydrophobicContact CZ-CZ2 3.98Å; C305-W316 CarbonylContact C-O 3.57Å; C305-W316 VanDerWaalsContact CA-O 3.3Å; C305-W316 WeakPolarHBondContact CA-O 3.49Å; T306-W316 PolarHBondContact N-O 2.81Å; T306-W316 PolarHBondContact O-N 2.87Å; E308-W316 PolarHBondContact O-NE1 3.16Å; W316-Y323 HydrophobicContact CE3-CE2 4.47Å; W316-Y323 AromaticContact CH2-CD1 3.69Å; W316-Y323 HydrophobicContact CH2-CD1 3.69Å; W316-Y323 HydrophobicContact CH2-CD2 4.1Å; W316-Y323 AromaticContact CH2-CE1 3.59Å; W316-Y323 HydrophobicContact CH2-CE1 3.59Å; W316-Y323 HydrophobicContact CH2-CE2 4.04Å; W316-Y323 AromaticContact CH2-CG 3.91Å; W316-Y323 HydrophobicContact CH2-CG 3.91Å; W316-Y323 AromaticContact CH2-CZ 3.76Å; W316-Y323 HydrophobicContact CZ3-CD1 4.03Å; W316-Y323 AromaticContact CZ3-CD2 3.56Å; W316-Y323 HydrophobicContact CZ3-CD2 3.56Å; W316-Y323 HydrophobicContact CZ3-CE1 4.02Å; W316-Y323 AromaticContact CZ3-CE2 3.57Å; W316-Y323 HydrophobicContact CZ3-CE2 3.57Å; W316-Y323 AromaticContact CZ3-CG 3.77Å; W316-Y323 HydrophobicContact CZ3-CG 3.77Å; W316-Y323 AromaticContact CZ3-CZ 3.78Å; W316-Y329 HydrophobicContact CE3-CD2 4.47Å; W316-G330 WeakPolarHBondContact CA-O 3.31Å; W316-F331 HydrophobicContact CB-CD1 4.02Å; W316-F331 HydrophobicContact CB-CE1 4.29Å
317	C	97.9	Very high	96.1	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.5	177	71.3	0	0	0	0	112	C291 F293 F295 C305 Y329 G330	C291-C317 WeakPolarHBondContact CA-SG 3.27Å; C291-C317 HydrophobicContact CB-CB 3.72Å; C291-C317 WeakPolarHBondContact CB-SG 3.49Å; C291-C317 WeakPolarHBondContact SG-CB 3.23Å; C291-C317 CovalentContact SG-SG 2Å; C291-C317 PolarHBondContact SG-SG 3.23Å; F293-C317 HydrophobicContact CE1-CB 4.28Å; F293-C317 HydrophobicContact CZ-CB 4.44Å; F295-C317 HydrophobicContact CD1-CB 4.25Å; F295-C317 HydrophobicContact CE1-CB 3.73Å; F295-C317 HydrophobicContact CZ-CB 4.26Å; C305-C317 HydrophobicContact CB-CB 4.44Å; C317-Y329 VanDerWaalsContact O-CA 3.31Å; C317-Y329 WeakPolarHBondContact O-CA 3.07Å; C317-Y329 WeakPolarHBondContact O-CB 3.15Å; C317-G330 PolarHBondContact N-O 3.46Å; C317-G330 VanDerWaalsContact N-O 3.08Å; C317-G330 PolarHBondContact O-N 3.15Å
318	G	98.1	Very high	96.3	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	132.6	160.1	0	0	0	0	0	110.6	K292 T320	K292-G318 PolarHBondContact N-O 3.15Å; G318-T320 VanDerWaalsContact C-N 3.28Å
319	T	97.6	Very high	96.4	Very high	22 Å²	22	59.8 Å²	59.8	14%	0.135	29%	0.294	C	S	.	.	S	Bend	trans	-95.1	11.5	171.7	64.9	0	0	0	0	111.9	T281 A286 P290 K328	T281-T319 HydrophobicContact CG2-CG2 4.2Å; A286-T319 HydrophobicContact CB-CG2 3.44Å; A286-T319 VanDerWaalsContact CB-CG2 3.44Å; A286-T319 VanDerWaalsContact CB-OG1 3.27Å; A286-T319 WeakPolarHBondContact CB-OG1 3.39Å; P290-T319 WeakPolarHBondContact O-CB 3.29Å; P290-T319 WeakPolarHBondContact O-CG2 3.33Å; T319-K328 PolarHBondContact N-O 2.81Å; T319-K328 WeakPolarHBondContact OG1-CB 3.3Å
320	T	97.6	Very high	96.6	Very high	35 Å²	35	56.5 Å²	56.5	22%	0.215	26%	0.26	C	S	.	.	S	Bend	trans	-135.9	165.8	167.8	69.5	0	0	0	0	109	F295 G318 D322 D326 K328	F295-T320 WeakPolarHBondContact CB-O 3.39Å; G318-T320 VanDerWaalsContact C-N 3.28Å; T320-D322 PolarHBondContact O-N 3.07Å; T320-D322 PolarHBondContact OG1-O 3.32Å; T320-D326 VanDerWaalsContact CB-OD2 3.24Å; T320-D326 WeakPolarHBondContact CB-OD2 3.42Å; T320-D326 HydrophobicContact CG2-CB 4.08Å; T320-D326 WeakPolarHBondContact OG1-CB 3.46Å; T320-D326 PolarHBondContact OG1-OD2 3.38Å; T320-K328 HydrophobicContact CG2-CB 3.97Å; T320-K328 HydrophobicContact CG2-CG 4.41Å
321	E	96.9	Very high	96.8	Very high	119 Å²	119	54.5 Å²	54.5	56%	0.556	25%	0.254	S	S	*	.	S	Bend	trans	-64.6	-22.2	-177.2	-66.3	177	176.6	0	0	113.4	K292 R296	K292-E321 HydrophobicContact CD-CG 4.1Å; K292-E321 WeakPolarHBondContact CE-OE1 3.4Å; K292-E321 HydrophobicContact CG-CB 4.46Å; K292-E321 HydrophobicContact CG-CG 3.65Å; K292-E321 IonicContact NZ-OE1 3.13Å; K292-E321 PolarHBondContact NZ-OE1 3.4Å; K292-E321 VanDerWaalsContact NZ-OE1 3.13Å; R296-E321 PolarHBondContact N-O 3.44Å
322	D	97.5	Very high	96.9	Very high	30 Å²	30	49.9 Å²	49.9	16%	0.16	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-135.3	98	-179.5	-166.5	-41.4	0	0	0	109.9	T320 D324 R325 D326	T320-D322 PolarHBondContact O-N 3.07Å; T320-D322 PolarHBondContact OG1-O 3.32Å; D322-D324 PolarHBondContact OD1-N 3.37Å; D322-R325 HydrophobicContact CB-CB 4.06Å; D322-R325 PolarHBondContact O-N 3.03Å; D322-R325 WeakPolarHBondContact OD1-CB 3.12Å; D322-R325 PolarHBondContact OD1-N 3.09Å; D322-D326 PolarHBondContact O-N 3.05Å
323	Y	97.3	Very high	97	Very high	54 Å²	54	48.9 Å²	48.9	21%	0.212	22%	0.222	C	C	.	.	H	α-helix	trans	-67.8	-36.9	179.9	164.4	-93.4	0	0	0	111.4	R296 F297 W316 R325 K327 Y329	R296-Y323 WeakPolarHBondContact O-CB 3.49Å; R296-Y323 PolarHBondContact O-N 2.95Å; F297-Y323 HydrophobicContact CB-CD1 4.27Å; F297-Y323 AromaticContact CD2-CD1 3.42Å; F297-Y323 HydrophobicContact CD2-CD1 3.42Å; F297-Y323 VanDerWaalsContact CD2-CD1 3.42Å; F297-Y323 AromaticContact CD2-CE1 3.54Å; F297-Y323 HydrophobicContact CD2-CE1 3.54Å; F297-Y323 HydrophobicContact CE2-CD1 4.06Å; F297-Y323 AromaticContact CE2-CE1 3.67Å; F297-Y323 HydrophobicContact CE2-CE1 3.67Å; F297-Y323 HydrophobicContact CG-CD1 4.16Å; W316-Y323 HydrophobicContact CE3-CE2 4.47Å; W316-Y323 AromaticContact CH2-CD1 3.69Å; W316-Y323 HydrophobicContact CH2-CD1 3.69Å; W316-Y323 HydrophobicContact CH2-CD2 4.1Å; W316-Y323 AromaticContact CH2-CE1 3.59Å; W316-Y323 HydrophobicContact CH2-CE1 3.59Å; W316-Y323 HydrophobicContact CH2-CE2 4.04Å; W316-Y323 AromaticContact CH2-CG 3.91Å; W316-Y323 HydrophobicContact CH2-CG 3.91Å; W316-Y323 AromaticContact CH2-CZ 3.76Å; W316-Y323 HydrophobicContact CZ3-CD1 4.03Å; W316-Y323 AromaticContact CZ3-CD2 3.56Å; W316-Y323 HydrophobicContact CZ3-CD2 3.56Å; W316-Y323 HydrophobicContact CZ3-CE1 4.02Å; W316-Y323 AromaticContact CZ3-CE2 3.57Å; W316-Y323 HydrophobicContact CZ3-CE2 3.57Å; W316-Y323 AromaticContact CZ3-CG 3.77Å; W316-Y323 HydrophobicContact CZ3-CG 3.77Å; W316-Y323 AromaticContact CZ3-CZ 3.78Å; Y323-R325 PolarHBondContact O-N 3.33Å; Y323-K327 WeakPolarHBondContact O-CA 3.25Å; Y323-K327 PolarHBondContact O-N 2.57Å; Y323-Y329 HydrophobicContact CE2-CD1 4.33Å; Y323-Y329 HydrophobicContact CE2-CG 4.27Å
324	D	95.5	Very high	97.1	Very high	63 Å²	63	48.8 Å²	48.8	34%	0.337	22%	0.22	S	C	.	.	H	α-helix	trans	-61.3	-37.6	-179.5	-63.8	-39.9	0	0	0	111.2	F297 Q298 D322	F297-D324 WeakPolarHBondContact CD2-OD1 3.26Å; Q298-D324 PolarHBondContact N-OD1 2.83Å; Q298-D324 PolarHBondContact N-OD2 2.88Å; D322-D324 PolarHBondContact OD1-N 3.37Å
325	R	97.5	Very high	96.9	Very high	160 Å²	160	45.4 Å²	45.4	60%	0.604	21%	0.208	S	C	*	.	H	α-helix	trans	-74.7	-55.4	177.2	-173.4	-174	69	-147.5	-8	112.6	D322 Y323	D322-R325 HydrophobicContact CB-CB 4.06Å; D322-R325 PolarHBondContact O-N 3.03Å; D322-R325 WeakPolarHBondContact OD1-CB 3.12Å; D322-R325 PolarHBondContact OD1-N 3.09Å; Y323-R325 PolarHBondContact O-N 3.33Å
326	D	97.4	Very high	96.4	Very high	59 Å²	59	43.9 Å²	43.9	32%	0.316	20%	0.203	S	C	.	.	H	α-helix	trans	-92.6	-21.8	-165.8	-56.5	-35.4	0	0	0	112.8	T320 D322 K328	T320-D326 VanDerWaalsContact CB-OD2 3.24Å; T320-D326 WeakPolarHBondContact CB-OD2 3.42Å; T320-D326 HydrophobicContact CG2-CB 4.08Å; T320-D326 WeakPolarHBondContact OG1-CB 3.46Å; T320-D326 PolarHBondContact OG1-OD2 3.38Å; D322-D326 PolarHBondContact O-N 3.05Å; D326-K328 PolarHBondContact O-N 2.79Å; D326-K328 VanDerWaalsContact O-N 3.15Å
327	K	97.4	Very high	95.4	Very high	137 Å²	137	45.2 Å²	45.2	60%	0.596	21%	0.21	S	C	*	.			trans	54.8	29.2	179.7	-57.8	170.1	-176.4	174.5	0	113.2	N285 Y323	N285-K327 PolarHBondContact ND2-O 3.12Å; N285-K327 PolarHBondContact OD1-O 3.2Å; Y323-K327 WeakPolarHBondContact O-CA 3.25Å; Y323-K327 PolarHBondContact O-N 2.57Å
328	K	98.3	Very high	94.4	Very high	81 Å²	81	45.4 Å²	45.4	35%	0.352	21%	0.211	S	C	.	.			trans	-97.2	121.4	177.4	-75.9	-61.9	-163	174.5	0	110	N285 T319 T320 D326	N285-K328 PolarHBondContact O-NZ 3.46Å; N285-K328 WeakPolarHBondContact OD1-CA 3.17Å; T319-K328 PolarHBondContact N-O 2.81Å; T319-K328 WeakPolarHBondContact OG1-CB 3.3Å; T320-K328 HydrophobicContact CG2-CB 3.97Å; T320-K328 HydrophobicContact CG2-CG 4.41Å; D326-K328 PolarHBondContact O-N 2.79Å; D326-K328 VanDerWaalsContact O-N 3.15Å
329	Y	98.3	Very high	93.6	Very high	60 Å²	60	45.4 Å²	45.4	24%	0.235	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158.2	-175.7	81.2	-75.8	0	0	0	112.6	N285 A286 W316 C317 Y323 F331	N285-Y329 HydrophobicContact CB-CE1 4.47Å; N285-Y329 PolarHBondContact N-O 3.41Å; N285-Y329 WeakPolarHBondContact OD1-CD1 3.38Å; N285-Y329 PolarHBondContact OD1-N 2.72Å; N285-Y329 PolarHBondContact OD1-O 3.29Å; A286-Y329 WeakPolarHBondContact CB-O 3.18Å; A286-Y329 PolarHBondContact N-O 3.46Å; A286-Y329 VanDerWaalsContact N-O 3.1Å; W316-Y329 HydrophobicContact CE3-CD2 4.47Å; C317-Y329 VanDerWaalsContact O-CA 3.31Å; C317-Y329 WeakPolarHBondContact O-CA 3.07Å; C317-Y329 WeakPolarHBondContact O-CB 3.15Å; Y323-Y329 HydrophobicContact CE2-CD1 4.33Å; Y323-Y329 HydrophobicContact CE2-CG 4.27Å; Y329-F331 HydrophobicContact CE2-CD2 4.4Å; Y329-F331 AromaticContact CE2-CE2 3.72Å; Y329-F331 HydrophobicContact CE2-CE2 3.72Å; Y329-F331 AromaticContact CE2-CZ 3.78Å; Y329-F331 HydrophobicContact CE2-CZ 3.78Å
330	G	98	Very high	92.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	166.5	169.5	0	0	0	0	0	110.9	W316 C317	W316-G330 WeakPolarHBondContact CA-O 3.31Å; C317-G330 PolarHBondContact N-O 3.46Å; C317-G330 VanDerWaalsContact N-O 3.08Å; C317-G330 PolarHBondContact O-N 3.15Å
331	F	98.2	Very high	92	Very high	43 Å²	43	45 Å²	45	19%	0.189	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	151.5	178.2	-65.2	-81.2	0	0	0	111.7	M282 R315 W316 Y329 P333	M282-F331 PolarHBondContact N-O 3.1Å; M282-F331 WeakPolarHBondContact O-CB 3.25Å; M282-F331 WeakPolarHBondContact O-CD2 3.04Å; M282-F331 PolarHBondContact O-N 3.14Å; R315-F331 WeakPolarHBondContact O-CA 3.35Å; W316-F331 HydrophobicContact CB-CD1 4.02Å; W316-F331 HydrophobicContact CB-CE1 4.29Å; Y329-F331 HydrophobicContact CE2-CD2 4.4Å; Y329-F331 AromaticContact CE2-CE2 3.72Å; Y329-F331 HydrophobicContact CE2-CE2 3.72Å; Y329-F331 AromaticContact CE2-CZ 3.78Å; Y329-F331 HydrophobicContact CE2-CZ 3.78Å; F331-P333 VanDerWaalsContact C-CD 3.47Å; F331-P333 VanDerWaalsContact O-CD 3.29Å; F331-P333 WeakPolarHBondContact O-CD 3.46Å
332	C	96.6	Very high	91.3	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.02	21%	0.207	C	C	.	.			trans	-117.5	73.7	178.5	-41.3	0	0	0	0	108.5	E277 C291 C305 R315 E334	E277-C332 HydrophobicContact CB-CB 4.2Å; C291-C332 VanDerWaalsContact SG-SG 3.64Å; C305-C332 HydrophobicContact CB-CB 3.65Å; C305-C332 WeakPolarHBondContact CB-SG 3.28Å; C305-C332 WeakPolarHBondContact SG-CB 3.32Å; C305-C332 CovalentContact SG-SG 2.04Å; C305-C332 PolarHBondContact SG-SG 3.18Å; R315-C332 HydrophobicContact CB-CB 4.16Å; R315-C332 PolarHBondContact NH2-O 2.93Å; R315-C332 PolarHBondContact O-N 3.29Å; C332-E334 VanDerWaalsContact C-N 3.3Å; C332-E334 PolarHBondContact O-N 3.35Å
333	P	94.4	Very high	90.7	Very high	29 Å²	29	41.2 Å²	41.2	19%	0.188	21%	0.209	C	C	.	.			trans	-68.5	-28.6	-170.1	26.3	-34.3	0	0	0	113.4	P137 M282 F331	P137-P333 WeakPolarHBondContact CD-O 3.43Å; P137-P333 HydrophobicContact CG-CB 4.29Å; M282-P333 HydrophobicContact CB-CG 4.06Å; M282-P333 HydrophobicContact CG-CG 3.72Å; F331-P333 VanDerWaalsContact C-CD 3.47Å; F331-P333 VanDerWaalsContact O-CD 3.29Å; F331-P333 WeakPolarHBondContact O-CD 3.46Å
334	E	94.8	Very high	90	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	20%	0.203	C	C	.	.			trans	-156.9	149	-173.6	-175.6	178.5	-161.3	0	0	107.4	P133 D136 V221 R222 P275 C332	P133-E334 WeakPolarHBondContact O-CA 3.36Å; D136-E334 HydrophobicContact CB-CB 4.37Å; V221-E334 VanDerWaalsContact CA-OE1 3.25Å; V221-E334 WeakPolarHBondContact CA-OE1 3.41Å; R222-E334 PolarHBondContact N-OE1 2.81Å; R222-E334 PolarHBondContact N-OE2 3.04Å; P275-E334 HydrophobicContact CB-CB 4.01Å; P275-E334 HydrophobicContact CB-CG 4.47Å; P275-E334 VanDerWaalsContact CB-O 3.25Å; P275-E334 WeakPolarHBondContact CB-O 3.48Å; P275-E334 HydrophobicContact CG-CB 4.21Å; P275-E334 HydrophobicContact CG-CG 4.47Å; C332-E334 VanDerWaalsContact C-N 3.3Å; C332-E334 PolarHBondContact O-N 3.35Å
335	T	91.7	Very high	89	Confident	14 Å²	14	44.3 Å²	44.3	9%	0.086	23%	0.225	C	C	.	.			trans	-128.5	111	177	-56.5	0	0	0	0	108.6	P133 E277 M337	P133-T335 PolarHBondContact O-N 3.25Å; E277-T335 VanDerWaalsContact OE2-CG2 3.27Å; E277-T335 WeakPolarHBondContact OE2-CG2 3.48Å; E277-T335 PolarHBondContact OE2-OG1 3.42Å; T335-M337 VanDerWaalsContact C-N 3.31Å; T335-M337 HydrophobicContact CG2-CG 4.29Å; T335-M337 PolarHBondContact O-N 2.94Å
336	A	85.3	Confident	88	Confident	2 Å²	2	37 Å²	37	2%	0.017	20%	0.198	C	C	.	.			trans	-70.4	87.6	176.7	0	0	0	0	0	110.2	V221 C247 C274 P275	V221-A336 HydrophobicContact CG1-CB 4.05Å; V221-A336 HydrophobicContact CG2-CB 4.2Å; C247-A336 HydrophobicContact CB-CB 4.5Å; C274-A336 HydrophobicContact CB-CB 3.61Å; P275-A336 VanDerWaalsContact O-CB 3.25Å; P275-A336 WeakPolarHBondContact O-CB 3.39Å; P275-A336 PolarHBondContact O-N 3.28Å
337	M	78	Confident	87.1	Confident	36 Å²	36	35.8 Å²	35.8	18%	0.177	20%	0.197	C	C	.	.			trans	-71.8	127.4	179.9	-68.3	-135.5	-74.2	0	0	111.1	Q219 T335 V340	Q219-M337 PolarHBondContact NE2-O 3.01Å; Q219-M337 PolarHBondContact OE1-O 3.23Å; T335-M337 VanDerWaalsContact C-N 3.31Å; T335-M337 HydrophobicContact CG2-CG 4.29Å; T335-M337 PolarHBondContact O-N 2.94Å; M337-V340 HydrophobicContact CE-CG1 4.34Å; M337-V340 HydrophobicContact CE-CG2 4.35Å
338	S	75.2	Confident	86.4	Confident	5 Å²	5	32.7 Å²	32.7	4%	0.035	19%	0.191	C	C	.	.	S	Bend	trans	-94.9	-15.8	173.8	-66.6	0	0	0	0	112.5	G346 P391	S338-G346 PolarHBondContact N-O 3.07Å; S338-G346 VanDerWaalsContact N-O 3.07Å; S338-P391 WeakPolarHBondContact O-CD 3.27Å
339	T	81.6	Confident	85.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-135.1	155.5	166.1	53.4	0	0	0	0	110.9	G346 A347 C375 T377 F389	T339-G346 PolarHBondContact N-O 3.4Å; T339-G346 WeakPolarHBondContact O-CA 3.28Å; T339-G346 VanDerWaalsContact OG1-C 3.3Å; T339-A347 WeakPolarHBondContact CB-O 3.38Å; T339-A347 WeakPolarHBondContact CG2-O 3.19Å; T339-A347 PolarHBondContact OG1-N 3.21Å; T339-A347 PolarHBondContact OG1-O 3.34Å; T339-C375 WeakPolarHBondContact CG2-SG 3.32Å; T339-T377 HydrophobicContact CG2-CG2 3.97Å; T339-F389 CarbonylContact C-O 3.55Å; T339-F389 WeakPolarHBondContact CA-O 3.37Å; T339-F389 WeakPolarHBondContact CB-O 3.19Å
340	V	81.4	Confident	85.3	Confident	4 Å²	4	29.8 Å²	29.8	2%	0.024	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-114.6	137.9	176.3	-173	0	0	0	0	108.9	K187 L212 M337 F389 P391	K187-V340 HydrophobicContact CD-CG1 3.85Å; L212-V340 HydrophobicContact CB-CG1 4.45Å; L212-V340 HydrophobicContact CB-CG2 4.39Å; L212-V340 HydrophobicContact CD1-CG2 4.15Å; L212-V340 HydrophobicContact CD2-CG2 4.18Å; L212-V340 HydrophobicContact CG-CG2 4.47Å; M337-V340 HydrophobicContact CE-CG1 4.34Å; M337-V340 HydrophobicContact CE-CG2 4.35Å; V340-F389 PolarHBondContact N-O 3Å; V340-F389 VanDerWaalsContact O-CB 3.24Å; V340-F389 WeakPolarHBondContact O-CB 3.32Å; V340-F389 WeakPolarHBondContact O-CD2 3.17Å; V340-F389 PolarHBondContact O-N 3.44Å; V340-P391 HydrophobicContact CG2-CB 4.43Å; V340-P391 HydrophobicContact CG2-CG 4.26Å
341	G	80.9	Confident	84.7	Confident	45 Å²	45	33 Å²	33	46%	0.464	20%	0.201	S	C	.	.	S	Bend	trans	56.1	-144.6	-178.7	0	0	0	0	0	113.6
342	G	82.4	Confident	84.4	Confident	32 Å²	32	33.3 Å²	33.3	33%	0.33	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	-146.1	-175.2	0	0	0	0	0	112.1
343	N	83.9	Confident	84.3	Confident	37 Å²	37	33.2 Å²	33.2	20%	0.198	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	20.1	-177.4	69.6	3.6	0	0	0	113.3	R385 K386 W387	N343-R385 PolarHBondContact ND2-O 3.14Å; N343-K386 PolarHBondContact O-NZ 3.02Å; N343-K386 WeakPolarHBondContact OD1-CA 3.4Å; N343-W387 PolarHBondContact N-O 2.93Å; N343-W387 VanDerWaalsContact N-O 3.09Å; N343-W387 PolarHBondContact OD1-N 3.31Å; N343-W387 PolarHBondContact OD1-O 3.37Å
344	S	82.8	Confident	84.4	Confident	12 Å²	12	34 Å²	34	8%	0.084	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	5.2	-175.5	-53.1	0	0	0	0	113.7	G346 A347 T377 W387	S344-G346 VanDerWaalsContact C-N 3.26Å; S344-G346 PolarHBondContact O-N 3.22Å; S344-G346 VanDerWaalsContact O-N 3.14Å; S344-A347 WeakPolarHBondContact O-CB 3.41Å; S344-A347 PolarHBondContact O-N 3.32Å; S344-T377 VanDerWaalsContact CB-CG2 3.47Å; S344-T377 WeakPolarHBondContact CB-OG1 3.3Å; S344-T377 WeakPolarHBondContact OG-CG2 3.31Å; S344-T377 PolarHBondContact OG-OG1 2.05Å; S344-W387 WeakPolarHBondContact CB-O 3.32Å; S344-W387 PolarHBondContact N-O 2.93Å; S344-W387 VanDerWaalsContact OG-C 3.22Å; S344-W387 PolarHBondContact OG-N 2.92Å; S344-W387 PolarHBondContact OG-O 2.83Å
345	E	75.9	Confident	84.5	Confident	170 Å²	170	33.9 Å²	33.9	79%	0.794	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	45.7	168.8	-62.4	171.2	-167.1	0	0	112.9	A347	E345-A347 VanDerWaalsContact C-N 3.34Å; E345-A347 PolarHBondContact O-N 2.92Å
346	G	75.6	Confident	84.6	Confident	5 Å²	5	36.5 Å²	36.5	5%	0.052	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	-5.1	178.1	0	0	0	0	0	116	S338 T339 S344	S338-G346 PolarHBondContact N-O 3.07Å; S338-G346 VanDerWaalsContact N-O 3.07Å; T339-G346 PolarHBondContact N-O 3.4Å; T339-G346 WeakPolarHBondContact O-CA 3.28Å; T339-G346 VanDerWaalsContact OG1-C 3.3Å; S344-G346 VanDerWaalsContact C-N 3.26Å; S344-G346 PolarHBondContact O-N 3.22Å; S344-G346 VanDerWaalsContact O-N 3.14Å
347	A	78.8	Confident	84.9	Confident	35 Å²	35	39.4 Å²	39.4	29%	0.289	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-55.8	147.2	-178.7	0	0	0	0	0	112.4	T339 S344 E345 T377	T339-A347 WeakPolarHBondContact CB-O 3.38Å; T339-A347 WeakPolarHBondContact CG2-O 3.19Å; T339-A347 PolarHBondContact OG1-N 3.21Å; T339-A347 PolarHBondContact OG1-O 3.34Å; S344-A347 WeakPolarHBondContact O-CB 3.41Å; S344-A347 PolarHBondContact O-N 3.32Å; E345-A347 VanDerWaalsContact C-N 3.34Å; E345-A347 PolarHBondContact O-N 2.92Å; A347-T377 HydrophobicContact CB-CG2 4.2Å; A347-T377 WeakPolarHBondContact O-CG2 3.46Å
348	P	81.8	Confident	85.7	Confident	71 Å²	71	42.1 Å²	42.1	46%	0.461	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-69	148	-176.2	27.3	-34.4	0	0	0	113.8	T377	P348-T377 WeakPolarHBondContact O-CA 3.16Å
349	C	85.8	Confident	86.7	Confident	30 Å²	30	48.3 Å²	48.3	20%	0.203	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-58.1	136.7	168.2	-59	0	0	0	0	110.6	F351 C375 A376	C349-F351 HydrophobicContact CB-CD2 4.03Å; C349-F351 HydrophobicContact CB-CE2 3.39Å; C349-F351 HydrophobicContact CB-CZ 3.69Å; C349-C375 WeakPolarHBondContact CA-SG 3.33Å; C349-C375 HydrophobicContact CB-CB 3.6Å; C349-C375 WeakPolarHBondContact CB-SG 3.01Å; C349-C375 WeakPolarHBondContact SG-CB 3.28Å; C349-C375 CovalentContact SG-SG 2.01Å; C349-C375 PolarHBondContact SG-SG 3.11Å; C349-A376 WeakPolarHBondContact CA-O 3.33Å
350	V	88.1	Confident	87.1	Confident	51 Å²	51	50.5 Å²	50.5	31%	0.309	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-98.7	117.3	170.9	174.6	0	0	0	0	108.5	P352 F353 A376 T377 A379	V350-P352 CarbonylContact O-C 3.58Å; V350-F353 WeakPolarHBondContact O-CB 3.29Å; V350-F353 WeakPolarHBondContact O-CD1 3.35Å; V350-F353 PolarHBondContact O-N 3.5Å; V350-A376 PolarHBondContact N-O 3Å; V350-T377 VanDerWaalsContact CG2-O 3.32Å; V350-T377 WeakPolarHBondContact CG2-O 3.24Å; V350-A379 HydrophobicContact CG1-CB 4.17Å
351	F	85.7	Confident	87.5	Confident	67 Å²	67	55.4 Å²	55.4	29%	0.294	33%	0.326	S	S	.	.	S	Bend	trans	-116.1	129.8	174.1	-65.1	-62.5	0	0	0	110.9	C349 F353 S362 C375	C349-F351 HydrophobicContact CB-CD2 4.03Å; C349-F351 HydrophobicContact CB-CE2 3.39Å; C349-F351 HydrophobicContact CB-CZ 3.69Å; F351-F353 AromaticContact CD1-CD1 3.97Å; F351-F353 HydrophobicContact CD1-CD1 3.97Å; F351-F353 HydrophobicContact CD1-CE1 4.26Å; F351-F353 AromaticContact CE1-CD1 3.86Å; F351-F353 HydrophobicContact CE1-CD1 3.86Å; F351-F353 AromaticContact CE1-CE1 3.71Å; F351-F353 HydrophobicContact CE1-CE1 3.71Å; F351-S362 WeakPolarHBondContact CE1-O 3.32Å; F351-C375 HydrophobicContact CE1-CB 4.28Å; F351-C375 HydrophobicContact CZ-CB 3.94Å
352	P	91.8	Very high	87.8	Confident	50 Å²	50	57 Å²	57	33%	0.325	33%	0.33	S	S	.	.	S	Bend	cis	-73.8	153.4	-6.9	24.5	-30.7	0	0	0	114.7	V350 K359 Y360 E361	V350-P352 CarbonylContact O-C 3.58Å; P352-K359 HydrophobicContact CB-CD 4.1Å; P352-K359 HydrophobicContact CB-CG 3.78Å; P352-Y360 VanDerWaalsContact CA-O 3.24Å; P352-Y360 WeakPolarHBondContact CA-O 3.14Å; P352-E361 WeakPolarHBondContact CB-OE1 3.22Å; P352-E361 WeakPolarHBondContact CB-OE2 3.34Å
353	F	95.3	Very high	88.2	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.9	164.9	72.1	-92.8	0	0	0	112.9	V350 F351 F355 K359 Y360 T364 W374 C375 A376 T378 A379	V350-F353 WeakPolarHBondContact O-CB 3.29Å; V350-F353 WeakPolarHBondContact O-CD1 3.35Å; V350-F353 PolarHBondContact O-N 3.5Å; F351-F353 AromaticContact CD1-CD1 3.97Å; F351-F353 HydrophobicContact CD1-CD1 3.97Å; F351-F353 HydrophobicContact CD1-CE1 4.26Å; F351-F353 AromaticContact CE1-CD1 3.86Å; F351-F353 HydrophobicContact CE1-CD1 3.86Å; F351-F353 AromaticContact CE1-CE1 3.71Å; F351-F353 HydrophobicContact CE1-CE1 3.71Å; F353-F355 HydrophobicContact CD2-CB 4.07Å; F353-F355 HydrophobicContact CE2-CB 3.73Å; F353-K359 CarbonylContact O-C 3.57Å; F353-K359 WeakPolarHBondContact O-CA 3.15Å; F353-Y360 HydrophobicContact CD2-CD2 4.4Å; F353-Y360 AromaticContact CE2-CD2 3.91Å; F353-Y360 HydrophobicContact CE2-CD2 3.91Å; F353-Y360 HydrophobicContact CE2-CG 4.12Å; F353-Y360 HydrophobicContact CZ-CD2 4.27Å; F353-Y360 HydrophobicContact CZ-CG 4Å; F353-Y360 PolarHBondContact N-O 3.01Å; F353-Y360 PolarHBondContact O-N 2.87Å; F353-T364 HydrophobicContact CZ-CG2 4.11Å; F353-W374 AromaticContact CE2-CH2 3.75Å; F353-W374 HydrophobicContact CE2-CH2 3.75Å; F353-W374 HydrophobicContact CE2-CZ2 4.34Å; F353-W374 HydrophobicContact CE2-CZ3 4.06Å; F353-W374 HydrophobicContact CZ-CH2 4.26Å; F353-W374 HydrophobicContact CZ-CZ3 4.32Å; F353-C375 HydrophobicContact CE1-CB 3.97Å; F353-A376 HydrophobicContact CB-CB 3.61Å; F353-A376 HydrophobicContact CD1-CB 4.07Å; F353-A376 HydrophobicContact CD2-CB 3.46Å; F353-A376 VanDerWaalsContact CD2-CB 3.46Å; F353-A376 HydrophobicContact CE2-CB 4.07Å; F353-A376 HydrophobicContact CG-CB 3.46Å; F353-A376 VanDerWaalsContact CG-CB 3.46Å; F353-T378 WeakPolarHBondContact CB-O 3.25Å; F353-A379 CarbonylContact C-O 3.59Å; F353-A379 VanDerWaalsContact CA-O 3.31Å; F353-A379 WeakPolarHBondContact CA-O 3.15Å
354	T	96.5	Very high	88.5	Confident	45 Å²	45	56.3 Å²	56.3	28%	0.276	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.2	174.7	-53.2	0	0	0	0	110.8	N358 A379 N380 Y381	T354-N358 CarbonylContact C-O 3.57Å; T354-N358 WeakPolarHBondContact CA-O 3.41Å; T354-A379 PolarHBondContact N-O 3.4Å; T354-N380 PolarHBondContact O-OD1 2.99Å; T354-Y381 WeakPolarHBondContact O-CB 3.44Å; T354-Y381 PolarHBondContact O-N 2.85Å
355	F	96.1	Very high	88.9	Confident	1 Å²	1	58.1 Å²	58.1	0%	0.004	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	124.9	175.8	171.1	-112	0	0	0	110.8	I35 F37 F353 G357 N358 Y360 A366 W374 Y381	I35-F355 HydrophobicContact CD1-CE2 3.4Å; I35-F355 VanDerWaalsContact CD1-CE2 3.4Å; I35-F355 HydrophobicContact CD1-CZ 3.48Å; I35-F355 VanDerWaalsContact CD1-CZ 3.48Å; I35-F355 HydrophobicContact CG1-CE2 4.42Å; I35-F355 HydrophobicContact CG1-CZ 4.02Å; F37-F355 HydrophobicContact CZ-CE2 4.37Å; F37-F355 HydrophobicContact CZ-CZ 4.16Å; F353-F355 HydrophobicContact CD2-CB 4.07Å; F353-F355 HydrophobicContact CE2-CB 3.73Å; F355-G357 PolarHBondContact O-N 3.15Å; F355-N358 PolarHBondContact N-O 3.33Å; F355-N358 PolarHBondContact O-N 3Å; F355-Y360 HydrophobicContact CB-CD2 3.98Å; F355-Y360 HydrophobicContact CB-CE2 3.74Å; F355-Y360 AromaticContact CD1-CE2 3.94Å; F355-Y360 HydrophobicContact CD1-CE2 3.94Å; F355-Y360 HydrophobicContact CG-CE2 4.33Å; F355-A366 HydrophobicContact CD1-CB 4.06Å; F355-A366 HydrophobicContact CE1-CB 3.85Å; F355-A366 WeakPolarHBondContact CE1-O 3.22Å; F355-W374 HydrophobicContact CB-CH2 4.14Å; F355-W374 HydrophobicContact CB-CZ2 4.41Å; F355-W374 HydrophobicContact CD1-CH2 4.3Å; F355-W374 AromaticContact CD1-CZ2 3.77Å; F355-W374 HydrophobicContact CD1-CZ2 3.77Å; F355-W374 AromaticContact CD2-CH2 3.64Å; F355-W374 HydrophobicContact CD2-CH2 3.64Å; F355-W374 AromaticContact CD2-CZ2 3.78Å; F355-W374 HydrophobicContact CD2-CZ2 3.78Å; F355-W374 AromaticContact CE1-CZ2 3.87Å; F355-W374 HydrophobicContact CE1-CZ2 3.87Å; F355-W374 HydrophobicContact CE2-CH2 4.04Å; F355-W374 AromaticContact CE2-CZ2 3.87Å; F355-W374 HydrophobicContact CE2-CZ2 3.87Å; F355-W374 AromaticContact CG-CH2 3.76Å; F355-W374 HydrophobicContact CG-CH2 3.76Å; F355-W374 AromaticContact CG-CZ2 3.71Å; F355-W374 HydrophobicContact CG-CZ2 3.71Å; F355-W374 AromaticContact CZ-CZ2 3.91Å; F355-W374 HydrophobicContact CZ-CZ2 3.91Å; F355-Y381 AromaticContact CD2-CD1 3.35Å; F355-Y381 HydrophobicContact CD2-CD1 3.35Å; F355-Y381 AromaticContact CD2-CE1 3.79Å; F355-Y381 HydrophobicContact CD2-CE1 3.79Å; F355-Y381 AromaticContact CD2-CG 3.99Å; F355-Y381 HydrophobicContact CD2-CG 3.99Å; F355-Y381 AromaticContact CE2-CD1 3.71Å; F355-Y381 HydrophobicContact CE2-CD1 3.71Å; F355-Y381 AromaticContact CE2-CE1 3.61Å; F355-Y381 HydrophobicContact CE2-CE1 3.61Å
356	L	93.9	Very high	89.6	Confident	69 Å²	69	50.5 Å²	50.5	36%	0.361	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	42.5	-173.6	-59.7	178.5	0	0	0	112.3	P33 I35 N358 D382	P33-L356 HydrophobicContact CG-CD1 3.52Å; I35-L356 HydrophobicContact CG2-CD1 4.38Å; L356-N358 PolarHBondContact O-N 3.31Å; L356-N358 PolarHBondContact O-ND2 2.95Å; L356-D382 WeakPolarHBondContact CA-OD2 3.25Å; L356-D382 VanDerWaalsContact N-CG 3.27Å; L356-D382 PolarHBondContact N-OD1 3.39Å; L356-D382 PolarHBondContact N-OD2 2.89Å
357	G	92.3	Very high	90.2	Very high	62 Å²	62	50.4 Å²	50.4	64%	0.639	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	1.4	-178.2	0	0	0	0	0	115.9	F355 D382	F355-G357 PolarHBondContact O-N 3.15Å; G357-D382 PolarHBondContact N-OD2 3.04Å
358	N	94.6	Very high	90.5	Very high	93 Å²	93	50.2 Å²	50.2	50%	0.497	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	144.1	176.2	-59.4	-68.3	0	0	0	110.8	T354 F355 L356 Y360	T354-N358 CarbonylContact C-O 3.57Å; T354-N358 WeakPolarHBondContact CA-O 3.41Å; F355-N358 PolarHBondContact N-O 3.33Å; F355-N358 PolarHBondContact O-N 3Å; L356-N358 PolarHBondContact O-N 3.31Å; L356-N358 PolarHBondContact O-ND2 2.95Å; N358-Y360 HydrophobicContact CB-CE2 3.74Å; N358-Y360 WeakPolarHBondContact O-CD2 3.44Å; N358-Y360 WeakPolarHBondContact O-CE2 3.4Å
359	K	95.1	Very high	90.4	Very high	136 Å²	136	50.6 Å²	50.6	59%	0.591	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.5	179.7	-168.7	-174.1	-175	-145.9	0	110.4	P352 F353 E361	P352-K359 HydrophobicContact CB-CD 4.1Å; P352-K359 HydrophobicContact CB-CG 3.78Å; F353-K359 CarbonylContact O-C 3.57Å; F353-K359 WeakPolarHBondContact O-CA 3.15Å; K359-E361 WeakPolarHBondContact CE-OE1 3.33Å; K359-E361 IonicContact NZ-OE1 2.7Å; K359-E361 PolarHBondContact NZ-OE1 2.84Å
360	Y	91.2	Very high	90	Very high	46 Å²	46	52.6 Å²	52.6	18%	0.18	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.6	-179.8	-65.4	-94.1	0	0	0	110.3	P352 F353 F355 N358 T364 A366	P352-Y360 VanDerWaalsContact CA-O 3.24Å; P352-Y360 WeakPolarHBondContact CA-O 3.14Å; F353-Y360 HydrophobicContact CD2-CD2 4.4Å; F353-Y360 AromaticContact CE2-CD2 3.91Å; F353-Y360 HydrophobicContact CE2-CD2 3.91Å; F353-Y360 HydrophobicContact CE2-CG 4.12Å; F353-Y360 HydrophobicContact CZ-CD2 4.27Å; F353-Y360 HydrophobicContact CZ-CG 4Å; F353-Y360 PolarHBondContact N-O 3.01Å; F353-Y360 PolarHBondContact O-N 2.87Å; F355-Y360 HydrophobicContact CB-CD2 3.98Å; F355-Y360 HydrophobicContact CB-CE2 3.74Å; F355-Y360 AromaticContact CD1-CE2 3.94Å; F355-Y360 HydrophobicContact CD1-CE2 3.94Å; F355-Y360 HydrophobicContact CG-CE2 4.33Å; N358-Y360 HydrophobicContact CB-CE2 3.74Å; N358-Y360 WeakPolarHBondContact O-CD2 3.44Å; N358-Y360 WeakPolarHBondContact O-CE2 3.4Å; Y360-T364 HydrophobicContact CD1-CG2 3.69Å; Y360-T364 HydrophobicContact CE1-CG2 3.73Å; Y360-T364 WeakPolarHBondContact CE1-OG1 3.39Å; Y360-T364 HydrophobicContact CG-CG2 4.26Å; Y360-A366 HydrophobicContact CE1-CB 4.05Å; Y360-A366 VanDerWaalsContact OH-CB 3.3Å; Y360-A366 WeakPolarHBondContact OH-CB 3.35Å
361	E	88.6	Confident	89.7	Confident	106 Å²	106	52.4 Å²	52.4	50%	0.495	31%	0.313	S	S	.	.	S	Bend	trans	-105.9	2.9	179.2	-58.7	-73.1	172.9	0	0	112.1	P352 K359	P352-E361 WeakPolarHBondContact CB-OE1 3.22Å; P352-E361 WeakPolarHBondContact CB-OE2 3.34Å; K359-E361 WeakPolarHBondContact CE-OE1 3.33Å; K359-E361 IonicContact NZ-OE1 2.7Å; K359-E361 PolarHBondContact NZ-OE1 2.84Å
362	S	87.1	Confident	89.7	Confident	78 Å²	78	52.1 Å²	52.1	55%	0.545	31%	0.311	S	S	.	.	S	Bend	trans	-154.3	166.5	179.1	60.6	0	0	0	0	109.9	F351	F351-S362 WeakPolarHBondContact CE1-O 3.32Å
363	C	90.8	Very high	89.6	Confident	33 Å²	33	53.9 Å²	53.9	22%	0.223	32%	0.317	C	S	.	.			trans	-54.9	146.6	174.6	-55.1	0	0	0	0	111	M373 W374 C390	C363-M373 HydrophobicContact CB-CB 4.22Å; C363-M373 HydrophobicContact CB-CE 4.23Å; C363-M373 WeakPolarHBondContact O-CE 3.26Å; C363-W374 CarbonylContact C-O 3.58Å; C363-W374 VanDerWaalsContact CA-O 3.3Å; C363-W374 WeakPolarHBondContact CA-O 3.31Å; C363-C390 HydrophobicContact CB-CB 3.79Å; C363-C390 WeakPolarHBondContact CB-SG 3.41Å; C363-C390 WeakPolarHBondContact SG-CB 3.37Å; C363-C390 CovalentContact SG-SG 2.01Å; C363-C390 PolarHBondContact SG-SG 3.08Å
364	T	90.8	Very high	89.4	Confident	23 Å²	23	53.9 Å²	53.9	14%	0.141	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-138.2	157.9	-177.3	-168.6	0	0	0	0	110.9	F353 Y360 A366 W374	F353-T364 HydrophobicContact CZ-CG2 4.11Å; Y360-T364 HydrophobicContact CD1-CG2 3.69Å; Y360-T364 HydrophobicContact CE1-CG2 3.73Å; Y360-T364 WeakPolarHBondContact CE1-OG1 3.39Å; Y360-T364 HydrophobicContact CG-CG2 4.26Å; T364-A366 HydrophobicContact CG2-CB 3.83Å; T364-A366 WeakPolarHBondContact OG1-CB 3.49Å; T364-A366 PolarHBondContact OG1-N 3.33Å; T364-W374 HydrophobicContact CG2-CZ2 4.32Å; T364-W374 PolarHBondContact N-O 2.94Å; T364-W374 PolarHBondContact O-N 3.03Å; T364-W374 PolarHBondContact O-NE1 3.3Å
365	S	90.9	Very high	89.2	Confident	50 Å²	50	51.8 Å²	51.8	35%	0.35	30%	0.304	S	S	.	.			trans	-97.5	5.6	167.4	54.8	0	0	0	0	112.2	G367 R368	S365-G367 PolarHBondContact O-N 3.05Å; S365-R368 WeakPolarHBondContact O-CB 3.28Å; S365-R368 PolarHBondContact O-N 3.33Å
366	A	91.4	Very high	89.2	Confident	9 Å²	9	51.7 Å²	51.7	7%	0.074	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	133.2	179.2	0	0	0	0	0	111	F355 Y360 T364 R368 W374	F355-A366 HydrophobicContact CD1-CB 4.06Å; F355-A366 HydrophobicContact CE1-CB 3.85Å; F355-A366 WeakPolarHBondContact CE1-O 3.22Å; Y360-A366 HydrophobicContact CE1-CB 4.05Å; Y360-A366 VanDerWaalsContact OH-CB 3.3Å; Y360-A366 WeakPolarHBondContact OH-CB 3.35Å; T364-A366 HydrophobicContact CG2-CB 3.83Å; T364-A366 WeakPolarHBondContact OG1-CB 3.49Å; T364-A366 PolarHBondContact OG1-N 3.33Å; A366-R368 VanDerWaalsContact C-N 3.3Å; A366-W374 PolarHBondContact O-NE1 2.9Å
367	G	87.4	Confident	89.1	Confident	3 Å²	3	49.4 Å²	49.4	3%	0.031	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-13.4	-174.8	0	0	0	0	0	114.8	P33 I35 S365	P33-G367 VanDerWaalsContact O-CA 3.31Å; P33-G367 WeakPolarHBondContact O-CA 3.36Å; I35-G367 PolarHBondContact N-O 3.11Å; S365-G367 PolarHBondContact O-N 3.05Å
368	R	85.3	Confident	89.1	Confident	32 Å²	32	48 Å²	48	12%	0.121	27%	0.271	C	S	.	.			trans	-112.5	150.5	-177.1	-53.3	-166	68	83.2	5.4	112.5	F37 D40 S365 A366 D370 K372	F37-R368 HydrophobicContact CD2-CG 4.22Å; F37-R368 HydrophobicContact CE2-CG 3.57Å; F37-R368 HydrophobicContact CZ-CG 4.26Å; D40-R368 IonicContact OD1-NH2 3.78Å; D40-R368 IonicContact OD2-CZ 2.68Å; D40-R368 IonicContact OD2-NH1 3.33Å; D40-R368 PolarHBondContact OD2-NH1 3.16Å; D40-R368 IonicContact OD2-NH2 2.7Å; D40-R368 PolarHBondContact OD2-NH2 2.89Å; S365-R368 WeakPolarHBondContact O-CB 3.28Å; S365-R368 PolarHBondContact O-N 3.33Å; A366-R368 VanDerWaalsContact C-N 3.3Å; R368-D370 WeakPolarHBondContact CB-OD1 3.33Å; R368-D370 IonicContact CZ-OD1 3.17Å; R368-D370 IonicContact CZ-OD2 3.83Å; R368-D370 IonicContact NE-OD1 2.69Å; R368-D370 PolarHBondContact NE-OD1 3.12Å; R368-D370 IonicContact NE-OD2 3.57Å; R368-D370 PolarHBondContact NE-OD2 2.97Å; R368-D370 IonicContact NH2-OD1 2.79Å; R368-D370 IonicContact NH2-OD2 2.93Å; R368-D370 PolarHBondContact NH2-OD2 3.47Å; R368-K372 WeakPolarHBondContact CD-O 3.1Å
369	S	80.4	Confident	89.1	Confident	78 Å²	78	46.6 Å²	46.6	55%	0.545	27%	0.272	S	S	.	.	S	Bend	trans	-106.1	-11.6	176.1	60	0	0	0	0	113.8
370	D	76.8	Confident	89.2	Confident	72 Å²	72	41.9 Å²	41.9	39%	0.385	25%	0.253	S	S	.	.	S	Bend	trans	-89.1	-4.9	-178.8	57.4	11.2	0	0	0	113.1	R368 K372	R368-D370 WeakPolarHBondContact CB-OD1 3.33Å; R368-D370 IonicContact CZ-OD1 3.17Å; R368-D370 IonicContact CZ-OD2 3.83Å; R368-D370 IonicContact NE-OD1 2.69Å; R368-D370 PolarHBondContact NE-OD1 3.12Å; R368-D370 IonicContact NE-OD2 3.57Å; R368-D370 PolarHBondContact NE-OD2 2.97Å; R368-D370 IonicContact NH2-OD1 2.79Å; R368-D370 IonicContact NH2-OD2 2.93Å; R368-D370 PolarHBondContact NH2-OD2 3.47Å; D370-K372 HydrophobicContact CB-CG 4.37Å; D370-K372 PolarHBondContact O-N 3.41Å; D370-K372 PolarHBondContact OD1-N 2.94Å
371	G	81.1	Confident	89.4	Confident	48 Å²	48	39.7 Å²	39.7	50%	0.495	25%	0.245	S	C	.	.			trans	74.5	1	-178.5	0	0	0	0	0	114.7	M373	G371-M373 PolarHBondContact O-N 3.46Å
372	K	85.4	Confident	89.6	Confident	60 Å²	60	36.5 Å²	36.5	26%	0.261	23%	0.231	S	C	.	.			trans	-63.5	136.6	178.9	-65.1	-169.5	-172.2	-162.5	0	110.3	K187 D188 R368 D370 F389	K187-K372 PolarHBondContact O-NZ 3.39Å; D188-K372 WeakPolarHBondContact OD2-CE 3.15Å; D188-K372 IonicContact OD2-NZ 2.99Å; D188-K372 PolarHBondContact OD2-NZ 3.31Å; R368-K372 WeakPolarHBondContact CD-O 3.1Å; D370-K372 HydrophobicContact CB-CG 4.37Å; D370-K372 PolarHBondContact O-N 3.41Å; D370-K372 PolarHBondContact OD1-N 2.94Å; K372-F389 HydrophobicContact CB-CD1 3.92Å; K372-F389 HydrophobicContact CB-CE1 3.58Å; K372-F389 HydrophobicContact CD-CD1 4.39Å; K372-F389 HydrophobicContact CD-CE1 3.79Å; K372-F389 HydrophobicContact CD-CZ 4Å; K372-F389 HydrophobicContact CG-CE1 4.32Å
373	M	90	Very high	90	Very high	88 Å²	88	38.5 Å²	38.5	43%	0.433	24%	0.236	S	C	.	.			trans	-88.8	130.3	-177.4	-62.2	-63.6	-78.2	0	0	110.2	C363 G371 C390	C363-M373 HydrophobicContact CB-CB 4.22Å; C363-M373 HydrophobicContact CB-CE 4.23Å; C363-M373 WeakPolarHBondContact O-CE 3.26Å; G371-M373 PolarHBondContact O-N 3.46Å; M373-C390 PolarHBondContact O-N 3.19Å
374	W	91.8	Very high	90.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	165.2	-178.1	76.4	-85	0	0	0	112	F37 F353 F355 C363 T364 A366 A376 Y381 W387 G388 F389	F37-W374 AromaticContact CE1-CD2 3.69Å; F37-W374 HydrophobicContact CE1-CD2 3.69Å; F37-W374 AromaticContact CE1-CE2 3.47Å; F37-W374 VanDerWaalsContact CE1-CE2 3.47Å; F37-W374 AromaticContact CE1-CE3 3.86Å; F37-W374 HydrophobicContact CE1-CE3 3.86Å; F37-W374 HydrophobicContact CE1-CG 4.43Å; F37-W374 AromaticContact CE1-CH2 3.68Å; F37-W374 HydrophobicContact CE1-CH2 3.68Å; F37-W374 AromaticContact CE1-CZ2 3.48Å; F37-W374 HydrophobicContact CE1-CZ2 3.48Å; F37-W374 VanDerWaalsContact CE1-CZ2 3.48Å; F37-W374 AromaticContact CE1-CZ3 3.86Å; F37-W374 HydrophobicContact CE1-CZ3 3.86Å; F37-W374 AromaticContact CZ-CD2 3.91Å; F37-W374 HydrophobicContact CZ-CD2 3.91Å; F37-W374 AromaticContact CZ-CE2 3.31Å; F37-W374 HydrophobicContact CZ-CG 4.4Å; F37-W374 HydrophobicContact CZ-CH2 4.16Å; F37-W374 AromaticContact CZ-CZ2 3.47Å; F37-W374 HydrophobicContact CZ-CZ2 3.47Å; F37-W374 VanDerWaalsContact CZ-CZ2 3.47Å; F37-W374 AromaticContact CZ-NE1 3.42Å; F353-W374 AromaticContact CE2-CH2 3.75Å; F353-W374 HydrophobicContact CE2-CH2 3.75Å; F353-W374 HydrophobicContact CE2-CZ2 4.34Å; F353-W374 HydrophobicContact CE2-CZ3 4.06Å; F353-W374 HydrophobicContact CZ-CH2 4.26Å; F353-W374 HydrophobicContact CZ-CZ3 4.32Å; F355-W374 HydrophobicContact CB-CH2 4.14Å; F355-W374 HydrophobicContact CB-CZ2 4.41Å; F355-W374 HydrophobicContact CD1-CH2 4.3Å; F355-W374 AromaticContact CD1-CZ2 3.77Å; F355-W374 HydrophobicContact CD1-CZ2 3.77Å; F355-W374 AromaticContact CD2-CH2 3.64Å; F355-W374 HydrophobicContact CD2-CH2 3.64Å; F355-W374 AromaticContact CD2-CZ2 3.78Å; F355-W374 HydrophobicContact CD2-CZ2 3.78Å; F355-W374 AromaticContact CE1-CZ2 3.87Å; F355-W374 HydrophobicContact CE1-CZ2 3.87Å; F355-W374 HydrophobicContact CE2-CH2 4.04Å; F355-W374 AromaticContact CE2-CZ2 3.87Å; F355-W374 HydrophobicContact CE2-CZ2 3.87Å; F355-W374 AromaticContact CG-CH2 3.76Å; F355-W374 HydrophobicContact CG-CH2 3.76Å; F355-W374 AromaticContact CG-CZ2 3.71Å; F355-W374 HydrophobicContact CG-CZ2 3.71Å; F355-W374 AromaticContact CZ-CZ2 3.91Å; F355-W374 HydrophobicContact CZ-CZ2 3.91Å; C363-W374 CarbonylContact C-O 3.58Å; C363-W374 VanDerWaalsContact CA-O 3.3Å; C363-W374 WeakPolarHBondContact CA-O 3.31Å; T364-W374 HydrophobicContact CG2-CZ2 4.32Å; T364-W374 PolarHBondContact N-O 2.94Å; T364-W374 PolarHBondContact O-N 3.03Å; T364-W374 PolarHBondContact O-NE1 3.3Å; A366-W374 PolarHBondContact O-NE1 2.9Å; W374-A376 HydrophobicContact CZ3-CB 4.29Å; W374-Y381 HydrophobicContact CH2-CD1 4.41Å; W374-Y381 AromaticContact CH2-CD2 3.95Å; W374-Y381 HydrophobicContact CH2-CD2 3.95Å; W374-Y381 HydrophobicContact CH2-CE2 4.34Å; W374-Y381 AromaticContact CH2-CG 3.97Å; W374-Y381 HydrophobicContact CH2-CG 3.97Å; W374-Y381 AromaticContact CZ3-CD2 3.75Å; W374-Y381 HydrophobicContact CZ3-CD2 3.75Å; W374-Y381 HydrophobicContact CZ3-CE2 4.14Å; W374-Y381 HydrophobicContact CZ3-CG 4.2Å; W374-W387 HydrophobicContact CB-CE3 3.85Å; W374-W387 HydrophobicContact CB-CZ3 4.02Å; W374-W387 HydrophobicContact CD2-CE3 4.29Å; W374-W387 HydrophobicContact CE3-CB 3.72Å; W374-W387 HydrophobicContact CE3-CE3 4.09Å; W374-W387 HydrophobicContact CE3-CG 4.43Å; W374-W387 HydrophobicContact CG-CE3 4.2Å; W374-W387 HydrophobicContact CZ3-CB 3.82Å; W374-G388 WeakPolarHBondContact CA-O 3.43Å; W374-F389 HydrophobicContact CB-CD1 4.25Å
375	C	93.1	Very high	90.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	156.2	173.8	67.7	0	0	0	0	111.2	T339 C349 F351 F353 W387 G388	T339-C375 WeakPolarHBondContact CG2-SG 3.32Å; C349-C375 WeakPolarHBondContact CA-SG 3.33Å; C349-C375 HydrophobicContact CB-CB 3.6Å; C349-C375 WeakPolarHBondContact CB-SG 3.01Å; C349-C375 WeakPolarHBondContact SG-CB 3.28Å; C349-C375 CovalentContact SG-SG 2.01Å; C349-C375 PolarHBondContact SG-SG 3.11Å; F351-C375 HydrophobicContact CE1-CB 4.28Å; F351-C375 HydrophobicContact CZ-CB 3.94Å; F353-C375 HydrophobicContact CE1-CB 3.97Å; C375-W387 WeakPolarHBondContact O-CA 2.94Å; C375-W387 WeakPolarHBondContact O-CB 3.11Å; C375-G388 PolarHBondContact N-O 2.9Å; C375-G388 PolarHBondContact O-N 2.88Å; C375-G388 VanDerWaalsContact O-N 3.16Å
376	A	94.5	Very high	90.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	144.5	166.1	0	0	0	0	0	110	C349 V350 F353 W374 T378 K386	C349-A376 WeakPolarHBondContact CA-O 3.33Å; V350-A376 PolarHBondContact N-O 3Å; F353-A376 HydrophobicContact CB-CB 3.61Å; F353-A376 HydrophobicContact CD1-CB 4.07Å; F353-A376 HydrophobicContact CD2-CB 3.46Å; F353-A376 VanDerWaalsContact CD2-CB 3.46Å; F353-A376 HydrophobicContact CE2-CB 4.07Å; F353-A376 HydrophobicContact CG-CB 3.46Å; F353-A376 VanDerWaalsContact CG-CB 3.46Å; W374-A376 HydrophobicContact CZ3-CB 4.29Å; A376-T378 VanDerWaalsContact C-N 3.31Å; A376-T378 WeakPolarHBondContact CB-O 3.29Å; A376-K386 WeakPolarHBondContact CA-O 3.47Å
377	T	91.9	Very high	90.4	Very high	20 Å²	20	46.8 Å²	46.8	12%	0.123	26%	0.259	C	S	.	.	S	Bend	trans	-97.5	10.6	174.1	54.8	0	0	0	0	111.8	T339 S344 A347 P348 V350 K386	T339-T377 HydrophobicContact CG2-CG2 3.97Å; S344-T377 VanDerWaalsContact CB-CG2 3.47Å; S344-T377 WeakPolarHBondContact CB-OG1 3.3Å; S344-T377 WeakPolarHBondContact OG-CG2 3.31Å; S344-T377 PolarHBondContact OG-OG1 2.05Å; A347-T377 HydrophobicContact CB-CG2 4.2Å; A347-T377 WeakPolarHBondContact O-CG2 3.46Å; P348-T377 WeakPolarHBondContact O-CA 3.16Å; V350-T377 VanDerWaalsContact CG2-O 3.32Å; V350-T377 WeakPolarHBondContact CG2-O 3.24Å; T377-K386 PolarHBondContact N-O 3.47Å; T377-K386 VanDerWaalsContact N-O 3.16Å; T377-K386 WeakPolarHBondContact OG1-CB 2.97Å
378	T	93.1	Very high	90.5	Very high	34 Å²	34	46.6 Å²	46.6	21%	0.209	26%	0.258	C	S	.	.	S	Bend	trans	-135.9	166.1	169.9	69.9	0	0	0	0	110	F353 A376 N380 D384 K386	F353-T378 WeakPolarHBondContact CB-O 3.25Å; A376-T378 VanDerWaalsContact C-N 3.31Å; A376-T378 WeakPolarHBondContact CB-O 3.29Å; T378-N380 PolarHBondContact O-N 3.47Å; T378-N380 PolarHBondContact OG1-O 2.76Å; T378-D384 WeakPolarHBondContact CB-OD2 3.02Å; T378-D384 HydrophobicContact CG2-CB 3.96Å; T378-D384 WeakPolarHBondContact OG1-CB 3.41Å; T378-D384 PolarHBondContact OG1-OD2 3.26Å; T378-K386 HydrophobicContact CG2-CB 3.93Å; T378-K386 HydrophobicContact CG2-CG 4.41Å
379	A	94.6	Very high	90.7	Very high	62 Å²	62	45.8 Å²	45.8	51%	0.512	26%	0.255	S	S	.	.	S	Bend	trans	-66.2	-19.5	-178.5	0	0	0	0	0	113.6	V350 F353 T354	V350-A379 HydrophobicContact CG1-CB 4.17Å; F353-A379 CarbonylContact C-O 3.59Å; F353-A379 VanDerWaalsContact CA-O 3.31Å; F353-A379 WeakPolarHBondContact CA-O 3.15Å; T354-A379 PolarHBondContact N-O 3.4Å
380	N	96	Very high	91.2	Very high	37 Å²	37	42.7 Å²	42.7	20%	0.198	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-141.1	106.1	178.4	-166	-9.3	0	0	0	111.9	T354 T378 D382 D383 D384	T354-N380 PolarHBondContact O-OD1 2.99Å; T378-N380 PolarHBondContact O-N 3.47Å; T378-N380 PolarHBondContact OG1-O 2.76Å; N380-D382 VanDerWaalsContact C-N 3.3Å; N380-D382 PolarHBondContact O-N 2.97Å; N380-D382 WeakPolarHBondContact OD1-CB 3.47Å; N380-D382 PolarHBondContact OD1-N 3.44Å; N380-D383 HydrophobicContact CB-CB 4.3Å; N380-D383 PolarHBondContact ND2-OD2 3.39Å; N380-D384 PolarHBondContact O-N 3.07Å; N380-D384 VanDerWaalsContact O-N 3.1Å
381	Y	95.9	Very high	91.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.7	-33.9	175.1	177	-88.1	0	0	0	112.2	I35 F37 P38 T354 F355 W374 D383 R385 W387	I35-Y381 HydrophobicContact CD1-CE1 4.16Å; F37-Y381 AromaticContact CD1-CE2 3.95Å; F37-Y381 HydrophobicContact CD1-CE2 3.95Å; F37-Y381 AromaticContact CD1-CZ 3.69Å; F37-Y381 WeakPolarHBondContact CD1-OH 3.25Å; F37-Y381 HydrophobicContact CE1-CE1 4.4Å; F37-Y381 AromaticContact CE1-CE2 4Å; F37-Y381 HydrophobicContact CE1-CE2 4Å; F37-Y381 AromaticContact CE1-CZ 3.73Å; P38-Y381 VanDerWaalsContact CD-OH 3.27Å; P38-Y381 WeakPolarHBondContact CD-OH 3.49Å; T354-Y381 WeakPolarHBondContact O-CB 3.44Å; T354-Y381 PolarHBondContact O-N 2.85Å; F355-Y381 AromaticContact CD2-CD1 3.35Å; F355-Y381 HydrophobicContact CD2-CD1 3.35Å; F355-Y381 AromaticContact CD2-CE1 3.79Å; F355-Y381 HydrophobicContact CD2-CE1 3.79Å; F355-Y381 AromaticContact CD2-CG 3.99Å; F355-Y381 HydrophobicContact CD2-CG 3.99Å; F355-Y381 AromaticContact CE2-CD1 3.71Å; F355-Y381 HydrophobicContact CE2-CD1 3.71Å; F355-Y381 AromaticContact CE2-CE1 3.61Å; F355-Y381 HydrophobicContact CE2-CE1 3.61Å; W374-Y381 HydrophobicContact CH2-CD1 4.41Å; W374-Y381 AromaticContact CH2-CD2 3.95Å; W374-Y381 HydrophobicContact CH2-CD2 3.95Å; W374-Y381 HydrophobicContact CH2-CE2 4.34Å; W374-Y381 AromaticContact CH2-CG 3.97Å; W374-Y381 HydrophobicContact CH2-CG 3.97Å; W374-Y381 AromaticContact CZ3-CD2 3.75Å; W374-Y381 HydrophobicContact CZ3-CD2 3.75Å; W374-Y381 HydrophobicContact CZ3-CE2 4.14Å; W374-Y381 HydrophobicContact CZ3-CG 4.2Å; Y381-D383 PolarHBondContact O-N 3.21Å; Y381-R385 WeakPolarHBondContact O-CA 3.31Å; Y381-R385 WeakPolarHBondContact O-CD 3.34Å; Y381-R385 PolarHBondContact O-N 2.93Å; Y381-W387 HydrophobicContact CD2-CB 3.99Å; Y381-W387 HydrophobicContact CE2-CB 3.78Å; Y381-W387 AromaticContact CE2-CD1 3.9Å; Y381-W387 AromaticContact CE2-CG 3.93Å; Y381-W387 HydrophobicContact CE2-CG 3.93Å
382	D	93.8	Very high	92.2	Very high	40 Å²	40	41.7 Å²	41.7	21%	0.214	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-34	-175.7	-66.7	-29.9	0	0	0	111.2	L356 G357 N380 R385	L356-D382 WeakPolarHBondContact CA-OD2 3.25Å; L356-D382 VanDerWaalsContact N-CG 3.27Å; L356-D382 PolarHBondContact N-OD1 3.39Å; L356-D382 PolarHBondContact N-OD2 2.89Å; G357-D382 PolarHBondContact N-OD2 3.04Å; N380-D382 VanDerWaalsContact C-N 3.3Å; N380-D382 PolarHBondContact O-N 2.97Å; N380-D382 WeakPolarHBondContact OD1-CB 3.47Å; N380-D382 PolarHBondContact OD1-N 3.44Å; D382-R385 PolarHBondContact O-NE 3.19Å
383	D	95.1	Very high	92.5	Very high	120 Å²	120	44.4 Å²	44.4	64%	0.642	23%	0.232	S	C	*	.	H	α-helix	trans	-84.4	-53.7	178.1	-60.5	-22	0	0	0	111.9	N380 Y381	N380-D383 HydrophobicContact CB-CB 4.3Å; N380-D383 PolarHBondContact ND2-OD2 3.39Å; Y381-D383 PolarHBondContact O-N 3.21Å
384	D	94.3	Very high	92.8	Very high	87 Å²	87	40.6 Å²	40.6	47%	0.465	22%	0.215	S	C	.	.	H	α-helix	trans	-92.4	-23.6	-166.3	-59.1	-44.6	0	0	0	114	T378 N380 K386	T378-D384 WeakPolarHBondContact CB-OD2 3.02Å; T378-D384 HydrophobicContact CG2-CB 3.96Å; T378-D384 WeakPolarHBondContact OG1-CB 3.41Å; T378-D384 PolarHBondContact OG1-OD2 3.26Å; N380-D384 PolarHBondContact O-N 3.07Å; N380-D384 VanDerWaalsContact O-N 3.1Å; D384-K386 HydrophobicContact CB-CB 4.45Å; D384-K386 HydrophobicContact CB-CG 4.46Å; D384-K386 PolarHBondContact O-N 2.88Å; D384-K386 VanDerWaalsContact O-N 3.12Å
385	R	93.8	Very high	93	Very high	109 Å²	109	41.4 Å²	41.4	41%	0.411	22%	0.218	S	C	.	.			trans	55	26.8	-177	-55.7	-68.6	176.1	164.7	-2.9	114.2	P38 N343 Y381 D382	P38-R385 HydrophobicContact CG-CB 4.14Å; N343-R385 PolarHBondContact ND2-O 3.14Å; Y381-R385 WeakPolarHBondContact O-CA 3.31Å; Y381-R385 WeakPolarHBondContact O-CD 3.34Å; Y381-R385 PolarHBondContact O-N 2.93Å; D382-R385 PolarHBondContact O-NE 3.19Å
386	K	92.9	Very high	93.3	Very high	91 Å²	91	41.6 Å²	41.6	40%	0.396	22%	0.22	S	C	.	.			trans	-97.9	123.6	178	-75.6	-63.7	-160.7	174.1	0	111.1	N343 A376 T377 T378 D384	N343-K386 PolarHBondContact O-NZ 3.02Å; N343-K386 WeakPolarHBondContact OD1-CA 3.4Å; A376-K386 WeakPolarHBondContact CA-O 3.47Å; T377-K386 PolarHBondContact N-O 3.47Å; T377-K386 VanDerWaalsContact N-O 3.16Å; T377-K386 WeakPolarHBondContact OG1-CB 2.97Å; T378-K386 HydrophobicContact CG2-CB 3.93Å; T378-K386 HydrophobicContact CG2-CG 4.41Å; D384-K386 HydrophobicContact CB-CB 4.45Å; D384-K386 HydrophobicContact CB-CG 4.46Å; D384-K386 PolarHBondContact O-N 2.88Å; D384-K386 VanDerWaalsContact O-N 3.12Å
387	W	92.3	Very high	93.5	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	165	-174.8	74	-68	0	0	0	112.4	F37 P38 D40 N343 S344 W374 C375 Y381 F389	F37-W387 HydrophobicContact CB-CD2 4.23Å; F37-W387 VanDerWaalsContact CB-CE2 3.47Å; F37-W387 HydrophobicContact CB-CH2 3.97Å; F37-W387 HydrophobicContact CB-CZ2 3.34Å; F37-W387 AromaticContact CD1-CD2 3.55Å; F37-W387 HydrophobicContact CD1-CD2 3.55Å; F37-W387 AromaticContact CD1-CE2 3.7Å; F37-W387 AromaticContact CD1-CE3 3.92Å; F37-W387 HydrophobicContact CD1-CE3 3.92Å; F37-W387 AromaticContact CD1-CG 3.86Å; F37-W387 HydrophobicContact CD1-CG 3.86Å; F37-W387 HydrophobicContact CD1-CZ2 4.2Å; F37-W387 HydrophobicContact CD1-CZ3 4.38Å; F37-W387 HydrophobicContact CE1-CD2 4.3Å; F37-W387 HydrophobicContact CE1-CE3 4.39Å; F37-W387 HydrophobicContact CG-CD2 4.16Å; F37-W387 AromaticContact CG-CE2 3.91Å; F37-W387 HydrophobicContact CG-CE3 4.43Å; F37-W387 HydrophobicContact CG-CH2 4.22Å; F37-W387 AromaticContact CG-CZ2 3.96Å; F37-W387 HydrophobicContact CG-CZ2 3.96Å; F37-W387 HydrophobicContact CG-CZ3 4.46Å; P38-W387 PolarHBondContact O-NE1 3.2Å; D40-W387 HydrophobicContact CB-CH2 4.39Å; D40-W387 HydrophobicContact CB-CZ2 4Å; N343-W387 PolarHBondContact N-O 2.93Å; N343-W387 VanDerWaalsContact N-O 3.09Å; N343-W387 PolarHBondContact OD1-N 3.31Å; N343-W387 PolarHBondContact OD1-O 3.37Å; S344-W387 WeakPolarHBondContact CB-O 3.32Å; S344-W387 PolarHBondContact N-O 2.93Å; S344-W387 VanDerWaalsContact OG-C 3.22Å; S344-W387 PolarHBondContact OG-N 2.92Å; S344-W387 PolarHBondContact OG-O 2.83Å; W374-W387 HydrophobicContact CB-CE3 3.85Å; W374-W387 HydrophobicContact CB-CZ3 4.02Å; W374-W387 HydrophobicContact CD2-CE3 4.29Å; W374-W387 HydrophobicContact CE3-CB 3.72Å; W374-W387 HydrophobicContact CE3-CE3 4.09Å; W374-W387 HydrophobicContact CE3-CG 4.43Å; W374-W387 HydrophobicContact CG-CE3 4.2Å; W374-W387 HydrophobicContact CZ3-CB 3.82Å; C375-W387 WeakPolarHBondContact O-CA 2.94Å; C375-W387 WeakPolarHBondContact O-CB 3.11Å; Y381-W387 HydrophobicContact CD2-CB 3.99Å; Y381-W387 HydrophobicContact CE2-CB 3.78Å; Y381-W387 AromaticContact CE2-CD1 3.9Å; Y381-W387 AromaticContact CE2-CG 3.93Å; Y381-W387 HydrophobicContact CE2-CG 3.93Å; W387-F389 HydrophobicContact CH2-CD2 4.38Å; W387-F389 HydrophobicContact CH2-CE1 4.02Å; W387-F389 AromaticContact CH2-CE2 3.71Å; W387-F389 HydrophobicContact CH2-CE2 3.71Å; W387-F389 AromaticContact CH2-CZ 3.51Å; W387-F389 HydrophobicContact CH2-CZ 3.51Å; W387-F389 AromaticContact CZ3-CD1 3.99Å; W387-F389 HydrophobicContact CZ3-CD1 3.99Å; W387-F389 HydrophobicContact CZ3-CD2 4.22Å; W387-F389 AromaticContact CZ3-CE1 3.68Å; W387-F389 HydrophobicContact CZ3-CE1 3.68Å; W387-F389 AromaticContact CZ3-CE2 3.93Å; W387-F389 HydrophobicContact CZ3-CE2 3.93Å; W387-F389 HydrophobicContact CZ3-CG 4.25Å; W387-F389 AromaticContact CZ3-CZ 3.65Å; W387-F389 HydrophobicContact CZ3-CZ 3.65Å
388	G	88.8	Confident	93.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	164.3	168	0	0	0	0	0	110.9	W374 C375	W374-G388 WeakPolarHBondContact CA-O 3.43Å; C375-G388 PolarHBondContact N-O 2.9Å; C375-G388 PolarHBondContact O-N 2.88Å; C375-G388 VanDerWaalsContact O-N 3.16Å
389	F	89.7	Confident	94.1	Very high	14 Å²	14	40.7 Å²	40.7	6%	0.061	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.5	173.2	-66.6	-72.1	0	0	0	109.6	K187 T339 V340 K372 W374 W387	K187-F389 HydrophobicContact CD-CD2 4.48Å; T339-F389 CarbonylContact C-O 3.55Å; T339-F389 WeakPolarHBondContact CA-O 3.37Å; T339-F389 WeakPolarHBondContact CB-O 3.19Å; V340-F389 PolarHBondContact N-O 3Å; V340-F389 VanDerWaalsContact O-CB 3.24Å; V340-F389 WeakPolarHBondContact O-CB 3.32Å; V340-F389 WeakPolarHBondContact O-CD2 3.17Å; V340-F389 PolarHBondContact O-N 3.44Å; K372-F389 HydrophobicContact CB-CD1 3.92Å; K372-F389 HydrophobicContact CB-CE1 3.58Å; K372-F389 HydrophobicContact CD-CD1 4.39Å; K372-F389 HydrophobicContact CD-CE1 3.79Å; K372-F389 HydrophobicContact CD-CZ 4Å; K372-F389 HydrophobicContact CG-CE1 4.32Å; W374-F389 HydrophobicContact CB-CD1 4.25Å; W387-F389 HydrophobicContact CH2-CD2 4.38Å; W387-F389 HydrophobicContact CH2-CE1 4.02Å; W387-F389 AromaticContact CH2-CE2 3.71Å; W387-F389 HydrophobicContact CH2-CE2 3.71Å; W387-F389 AromaticContact CH2-CZ 3.51Å; W387-F389 HydrophobicContact CH2-CZ 3.51Å; W387-F389 AromaticContact CZ3-CD1 3.99Å; W387-F389 HydrophobicContact CZ3-CD1 3.99Å; W387-F389 HydrophobicContact CZ3-CD2 4.22Å; W387-F389 AromaticContact CZ3-CE1 3.68Å; W387-F389 HydrophobicContact CZ3-CE1 3.68Å; W387-F389 AromaticContact CZ3-CE2 3.93Å; W387-F389 HydrophobicContact CZ3-CE2 3.93Å; W387-F389 HydrophobicContact CZ3-CG 4.25Å; W387-F389 AromaticContact CZ3-CZ 3.65Å; W387-F389 HydrophobicContact CZ3-CZ 3.65Å
390	C	89.7	Confident	94.3	Very high	14 Å²	14	38.1 Å²	38.1	10%	0.095	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-72	137.5	168.2	-63.6	0	0	0	0	108.5	C363 M373 D392	C363-C390 HydrophobicContact CB-CB 3.79Å; C363-C390 WeakPolarHBondContact CB-SG 3.41Å; C363-C390 WeakPolarHBondContact SG-CB 3.37Å; C363-C390 CovalentContact SG-SG 2.01Å; C363-C390 PolarHBondContact SG-SG 3.08Å; M373-C390 PolarHBondContact O-N 3.19Å; C390-D392 PolarHBondContact O-N 2.94Å
391	P	89.8	Confident	94.4	Very high	38 Å²	38	36.3 Å²	36.3	25%	0.247	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-51.7	129.5	178.2	-27.3	34.6	0	0	0	111.5	L212 S338 V340	L212-P391 HydrophobicContact CD2-CB 3.98Å; S338-P391 WeakPolarHBondContact O-CD 3.27Å; V340-P391 HydrophobicContact CG2-CB 4.43Å; V340-P391 HydrophobicContact CG2-CG 4.26Å
392	D	90.2	Very high	94.6	Very high	61 Å²	61	36.3 Å²	36.3	33%	0.326	18%	0.18	S	C	.	.			trans	-94.5	-160.4	173.3	54.1	28	0	0	0	109.8	K187 C390 G394	K187-D392 WeakPolarHBondContact CE-OD2 3.36Å; K187-D392 IonicContact NZ-OD1 3.9Å; K187-D392 IonicContact NZ-OD2 3.87Å; K187-D392 PolarHBondContact NZ-OD2 3Å; C390-D392 PolarHBondContact O-N 2.94Å; D392-G394 PolarHBondContact O-N 2.87Å; D392-G394 WeakPolarHBondContact OD1-CA 3.4Å; D392-G394 PolarHBondContact OD1-N 2.96Å
393	Q	92.1	Very high	94.8	Very high	117 Å²	117	35 Å²	35	55%	0.547	17%	0.173	S	C	.	.			trans	-69.5	-18.4	176.5	-65.5	-61.1	-60	0	0	112.9	T214 E217 G218	T214-Q393 WeakPolarHBondContact CG2-O 3.19Å; T214-Q393 PolarHBondContact OG1-O 2.88Å; E217-Q393 VanDerWaalsContact CA-OE1 3.24Å; E217-Q393 PolarHBondContact O-OE1 2.79Å; G218-Q393 VanDerWaalsContact CA-O 3.3Å; G218-Q393 WeakPolarHBondContact CA-O 3.46Å; G218-Q393 PolarHBondContact N-O 3.45Å
394	G	94.7	Very high	95	Very high	7 Å²	7	29.3 Å²	29.3	7%	0.072	14%	0.142	C	C	.	.			trans	56.7	-163.8	-170.2	0	0	0	0	0	113.4	L212 D392	L212-G394 WeakPolarHBondContact O-CA 3.13Å; D392-G394 PolarHBondContact O-N 2.87Å; D392-G394 WeakPolarHBondContact OD1-CA 3.4Å; D392-G394 PolarHBondContact OD1-N 2.96Å
395	Y	97.7	Very high	95.2	Very high	17 Å²	17	25.2 Å²	25.2	7%	0.067	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.8	-177.9	-56.9	-76.5	0	0	0	110.6	P100 D188 L191 E211 L212 T214 L397 Y425	P100-Y395 HydrophobicContact CB-CE1 3.54Å; P100-Y395 HydrophobicContact CG-CE1 3.69Å; P100-Y395 WeakPolarHBondContact CG-OH 3.49Å; D188-Y395 PolarHBondContact OD1-OH 3.11Å; L191-Y395 HydrophobicContact CD1-CD1 3.53Å; L191-Y395 HydrophobicContact CD1-CE1 3.97Å; L191-Y395 HydrophobicContact CD1-CG 3.91Å; L191-Y395 HydrophobicContact CD2-CD1 3.79Å; L191-Y395 HydrophobicContact CD2-CD2 3.56Å; L191-Y395 HydrophobicContact CD2-CE1 3.77Å; L191-Y395 HydrophobicContact CD2-CE2 3.54Å; L191-Y395 HydrophobicContact CD2-CG 3.7Å; L191-Y395 HydrophobicContact CG-CD1 4.33Å; L191-Y395 HydrophobicContact CG-CG 4.44Å; E211-Y395 HydrophobicContact CB-CD2 4.21Å; E211-Y395 HydrophobicContact CG-CD2 4.3Å; E211-Y395 HydrophobicContact CG-CE2 4.48Å; E211-Y395 WeakPolarHBondContact OE2-CE2 3.37Å; L212-Y395 PolarHBondContact O-N 2.69Å; T214-Y395 PolarHBondContact N-O 2.8Å; Y395-L397 PolarHBondContact O-N 2.79Å; Y395-L397 VanDerWaalsContact O-N 3.08Å; Y395-Y425 AromaticContact CD1-CD1 3.55Å; Y395-Y425 HydrophobicContact CD1-CD1 3.55Å; Y395-Y425 HydrophobicContact CD1-CD2 4.3Å; Y395-Y425 AromaticContact CD1-CE1 3.56Å; Y395-Y425 HydrophobicContact CD1-CE1 3.56Å; Y395-Y425 HydrophobicContact CD1-CE2 4.32Å; Y395-Y425 AromaticContact CD1-CG 3.93Å; Y395-Y425 HydrophobicContact CD1-CG 3.93Å; Y395-Y425 AromaticContact CD1-CZ 3.95Å; Y395-Y425 AromaticContact CE1-CD1 3.85Å; Y395-Y425 HydrophobicContact CE1-CD1 3.85Å; Y395-Y425 HydrophobicContact CE1-CE1 4.12Å; Y395-Y425 HydrophobicContact CE1-CG 4.41Å
396	S	98.5	Very high	95.4	Very high	4 Å²	4	20 Å²	20	3%	0.028	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	110	178.2	-172.9	0	0	0	0	109.8	T214 L215 F398 L399 V400 Y425	T214-S396 VanDerWaalsContact O-CA 3.31Å; T214-S396 WeakPolarHBondContact O-CA 3.24Å; L215-S396 WeakPolarHBondContact O-CB 3.4Å; L215-S396 PolarHBondContact O-OG 3.26Å; S396-F398 PolarHBondContact O-N 3.07Å; S396-L399 PolarHBondContact O-N 3.08Å; S396-V400 PolarHBondContact O-N 3.26Å; S396-Y425 PolarHBondContact N-OH 2.93Å
397	L	98.8	Very high	95.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-56.3	-36.2	177	-178.2	61.4	0	0	0	110.9	L135 V140 A143 F144 F173 F207 W213 T214 Y395 A401	L135-L397 HydrophobicContact CD1-CB 4.18Å; L135-L397 HydrophobicContact CD1-CD2 3.93Å; V140-L397 HydrophobicContact CB-CD2 4.27Å; V140-L397 HydrophobicContact CG1-CD2 4Å; V140-L397 HydrophobicContact CG2-CD2 4.07Å; A143-L397 HydrophobicContact CB-CB 4.39Å; A143-L397 HydrophobicContact CB-CD2 4.15Å; A143-L397 HydrophobicContact CB-CG 4.23Å; F144-L397 HydrophobicContact CE1-CD1 3.67Å; F144-L397 HydrophobicContact CE1-CD2 4.15Å; F144-L397 HydrophobicContact CE1-CG 3.93Å; F144-L397 HydrophobicContact CE2-CD2 4.49Å; F144-L397 HydrophobicContact CZ-CD1 3.9Å; F144-L397 HydrophobicContact CZ-CD2 4.02Å; F144-L397 HydrophobicContact CZ-CG 4.25Å; F173-L397 HydrophobicContact CE1-CD1 4.1Å; F173-L397 HydrophobicContact CZ-CD1 3.77Å; F173-L397 HydrophobicContact CZ-CD2 4.06Å; F207-L397 HydrophobicContact CD1-CD1 3.83Å; F207-L397 HydrophobicContact CE1-CD1 3.98Å; F207-L397 HydrophobicContact CG-CD1 4.4Å; W213-L397 HydrophobicContact CD2-CD1 4.09Å; W213-L397 HydrophobicContact CE3-CB 3.96Å; W213-L397 HydrophobicContact CE3-CD1 3.73Å; W213-L397 HydrophobicContact CE3-CG 4.46Å; W213-L397 HydrophobicContact CZ3-CD1 4.06Å; T214-L397 PolarHBondContact O-N 2.98Å; Y395-L397 PolarHBondContact O-N 2.79Å; Y395-L397 VanDerWaalsContact O-N 3.08Å; L397-A401 WeakPolarHBondContact O-CB 3.04Å; L397-A401 PolarHBondContact O-N 2.88Å
398	F	98.8	Very high	95.9	Very high	27 Å²	27	15.9 Å²	15.9	12%	0.118	8%	0.083	C	C	.	.	H	α-helix	trans	-59.3	-48.7	174.8	164.5	-107.6	0	0	0	112.9	A143 R146 A147 V150 S396 A402 F431	A143-F398 HydrophobicContact CB-CB 4.41Å; R146-F398 HydrophobicContact CB-CD2 3.74Å; R146-F398 HydrophobicContact CB-CE2 3.7Å; A147-F398 HydrophobicContact CB-CD2 4.25Å; V150-F398 HydrophobicContact CG2-CE2 3.91Å; V150-F398 HydrophobicContact CG2-CZ 3.86Å; S396-F398 PolarHBondContact O-N 3.07Å; F398-A402 VanDerWaalsContact O-CB 3.28Å; F398-A402 WeakPolarHBondContact O-CB 3.42Å; F398-A402 PolarHBondContact O-N 3.25Å; F398-F431 HydrophobicContact CE1-CB 4.09Å; F398-F431 HydrophobicContact CE1-CD1 4.01Å; F398-F431 HydrophobicContact CE1-CG 4.23Å; F398-F431 AromaticContact CZ-CD1 3.93Å; F398-F431 HydrophobicContact CZ-CD1 3.93Å
399	L	98.7	Very high	96.3	Very high	9 Å²	9	15.9 Å²	15.9	5%	0.047	8%	0.083	C	C	.	.	H	α-helix	trans	-71.3	-45	-176.9	-65.9	177.1	0	0	0	111.8	S396 A402 H403 Y425 Y427 F431	S396-L399 PolarHBondContact O-N 3.08Å; L399-A402 PolarHBondContact O-N 2.82Å; L399-H403 PolarHBondContact O-N 3.27Å; L399-H403 VanDerWaalsContact O-N 3.09Å; L399-Y425 HydrophobicContact CB-CE2 4.34Å; L399-Y425 HydrophobicContact CD1-CE2 4.38Å; L399-Y427 HydrophobicContact CD1-CD2 3.81Å; L399-Y427 HydrophobicContact CD1-CE2 4.33Å; L399-F431 HydrophobicContact CD2-CB 3.77Å; L399-F431 HydrophobicContact CD2-CD1 4.5Å; L399-F431 HydrophobicContact CD2-CD2 3.7Å; L399-F431 HydrophobicContact CD2-CG 3.71Å
400	V	98.8	Very high	96.6	Very high	7 Å²	7	15.7 Å²	15.7	4%	0.042	8%	0.084	C	C	.	.	H	α-helix	trans	-64.4	-44.7	179	-178.9	0	0	0	0	109.7	L191 A192 F207 W213 S396 A402 H403 E404 Y425	L191-V400 HydrophobicContact CB-CG1 4.26Å; L191-V400 HydrophobicContact CD1-CG2 3.98Å; A192-V400 HydrophobicContact CB-CG1 3.55Å; F207-V400 HydrophobicContact CD1-CG1 4.18Å; F207-V400 HydrophobicContact CE1-CB 4.49Å; F207-V400 HydrophobicContact CE1-CG1 4.05Å; W213-V400 HydrophobicContact CH2-CB 4.16Å; W213-V400 HydrophobicContact CH2-CG1 3.9Å; W213-V400 HydrophobicContact CH2-CG2 4.3Å; W213-V400 HydrophobicContact CZ3-CB 3.83Å; W213-V400 HydrophobicContact CZ3-CG1 4.11Å; W213-V400 HydrophobicContact CZ3-CG2 3.86Å; S396-V400 PolarHBondContact O-N 3.26Å; V400-A402 VanDerWaalsContact C-N 3.34Å; V400-A402 PolarHBondContact O-N 2.69Å; V400-H403 WeakPolarHBondContact O-CB 3.26Å; V400-H403 PolarHBondContact O-N 2.9Å; V400-E404 HydrophobicContact CG1-CG 4.31Å; V400-E404 WeakPolarHBondContact O-CG 3.43Å; V400-E404 PolarHBondContact O-N 3.02Å; V400-Y425 HydrophobicContact CG2-CD2 3.87Å; V400-Y425 HydrophobicContact CG2-CE2 3.99Å
401	A	98.9	Very high	96.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.6	-38.7	176.3	0	0	0	0	0	113	F144 A147 F207 L397 H403 E404 F405	F144-A401 HydrophobicContact CD1-CB 3.53Å; F144-A401 HydrophobicContact CE1-CB 3.71Å; A147-A401 HydrophobicContact CB-CB 3.78Å; F207-A401 HydrophobicContact CE1-CB 3.83Å; F207-A401 HydrophobicContact CZ-CB 3.7Å; L397-A401 WeakPolarHBondContact O-CB 3.04Å; L397-A401 PolarHBondContact O-N 2.88Å; A401-H403 VanDerWaalsContact C-N 3.26Å; A401-H403 PolarHBondContact O-N 3.38Å; A401-E404 PolarHBondContact O-N 3.3Å; A401-F405 HydrophobicContact CB-CD2 4.45Å; A401-F405 HydrophobicContact CB-CE2 3.95Å; A401-F405 HydrophobicContact CB-CZ 4.01Å; A401-F405 WeakPolarHBondContact O-CB 3.48Å; A401-F405 VanDerWaalsContact O-CD2 3.25Å; A401-F405 WeakPolarHBondContact O-CD2 3.29Å; A401-F405 WeakPolarHBondContact O-CG 3.27Å; A401-F405 PolarHBondContact O-N 2.86Å
402	A	98.8	Very high	97	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60	-41.1	176.4	0	0	0	0	0	111	A147 V150 W151 F398 L399 V400 G406 L420	A147-A402 HydrophobicContact CB-CB 3.98Å; V150-A402 HydrophobicContact CG2-CB 4.48Å; W151-A402 WeakPolarHBondContact CZ2-O 3.42Å; W151-A402 PolarHBondContact NE1-O 2.93Å; F398-A402 VanDerWaalsContact O-CB 3.28Å; F398-A402 WeakPolarHBondContact O-CB 3.42Å; F398-A402 PolarHBondContact O-N 3.25Å; L399-A402 PolarHBondContact O-N 2.82Å; V400-A402 VanDerWaalsContact C-N 3.34Å; V400-A402 PolarHBondContact O-N 2.69Å; A402-G406 PolarHBondContact O-N 3.01Å; A402-L420 HydrophobicContact CB-CD1 4.27Å; A402-L420 HydrophobicContact CB-CD2 3.72Å
403	H	98.8	Very high	97.2	Very high	12 Å²	12	15.9 Å²	15.9	6%	0.056	8%	0.079	C	C	.	.	H	α-helix	trans	-62.9	-53.2	174.2	-178.3	106.3	0	0	0	111.9	C102 L399 V400 A401 F405 G406 H407 H413 L420 M421 A422	C102-H403 WeakPolarHBondContact CB-NE2 3.31Å; L399-H403 PolarHBondContact O-N 3.27Å; L399-H403 VanDerWaalsContact O-N 3.09Å; V400-H403 WeakPolarHBondContact O-CB 3.26Å; V400-H403 PolarHBondContact O-N 2.9Å; A401-H403 VanDerWaalsContact C-N 3.26Å; A401-H403 PolarHBondContact O-N 3.38Å; H403-F405 VanDerWaalsContact C-N 3.27Å; H403-F405 PolarHBondContact O-N 3.3Å; H403-G406 WeakPolarHBondContact O-CA 3.46Å; H403-G406 PolarHBondContact O-N 3.34Å; H403-H407 AromaticContact CD2-CD2 3.66Å; H403-H407 AromaticContact CD2-NE2 3.77Å; H403-H407 AromaticContact NE2-CD2 3.64Å; H403-H407 AromaticContact NE2-NE2 3.21Å; H403-H407 PolarHBondContact NE2-NE2 2.99Å; H403-H407 PolarHBondContact O-N 3.26Å; H403-H413 AromaticContact CE1-CD2 3.61Å; H403-H413 AromaticContact CE1-NE2 3.74Å; H403-H413 AromaticContact NE2-CD2 3.55Å; H403-H413 AromaticContact NE2-NE2 3.31Å; H403-H413 PolarHBondContact NE2-NE2 3.15Å; H403-L420 HydrophobicContact CB-CD1 4.11Å; H403-L420 HydrophobicContact CB-CG 4.36Å; H403-L420 PolarHBondContact ND1-O 3.43Å; H403-M421 VanDerWaalsContact O-SD 3.42Å; H403-A422 PolarHBondContact CE1-O 2.96Å; H403-A422 VanDerWaalsContact CE1-O 3.23Å; H403-A422 PolarHBondContact ND1-O 3.39Å
404	E	98.8	Very high	97.4	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-61.3	-36.1	-179.6	-64.1	-42.3	139.8	0	0	112.4	C102 A192 H193 A194 F207 V400 A401 G406 H407 A408	C102-E404 PolarHBondContact SG-OE1 2.71Å; A192-E404 HydrophobicContact CB-CG 3.6Å; H193-E404 VanDerWaalsContact CA-OE2 3.22Å; H193-E404 WeakPolarHBondContact CA-OE2 3.25Å; A194-E404 HydrophobicContact CB-CB 3.93Å; A194-E404 WeakPolarHBondContact CB-O 3.35Å; A194-E404 PolarHBondContact N-OE2 3.38Å; F207-E404 HydrophobicContact CE1-CG 4.26Å; F207-E404 HydrophobicContact CZ-CB 4.35Å; F207-E404 HydrophobicContact CZ-CG 4.34Å; V400-E404 HydrophobicContact CG1-CG 4.31Å; V400-E404 WeakPolarHBondContact O-CG 3.43Å; V400-E404 PolarHBondContact O-N 3.02Å; A401-E404 PolarHBondContact O-N 3.3Å; E404-G406 VanDerWaalsContact C-N 3.26Å; E404-G406 PolarHBondContact O-N 2.83Å; E404-H407 WeakPolarHBondContact O-CA 3.37Å; E404-H407 WeakPolarHBondContact O-CB 3.39Å; E404-H407 PolarHBondContact O-N 2.98Å; E404-H407 VanDerWaalsContact O-N 3.1Å; E404-H407 IonicContact OE2-CD2 3.44Å; E404-A408 PolarHBondContact O-N 3.41Å
405	F	98.8	Very high	97.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68.1	-27.5	174.5	-62	-18.6	0	0	0	112.4	F144 A147 F148 I171 A401 H403 H407 A408 M409	F144-F405 HydrophobicContact CB-CE2 4.22Å; F144-F405 HydrophobicContact CB-CZ 4.16Å; F144-F405 HydrophobicContact CD1-CE2 4.13Å; F144-F405 AromaticContact CD1-CZ 3.64Å; F144-F405 HydrophobicContact CD1-CZ 3.64Å; F144-F405 HydrophobicContact CE1-CZ 4.36Å; F144-F405 HydrophobicContact CG-CZ 4.15Å; A147-F405 HydrophobicContact CB-CD2 3.68Å; A147-F405 HydrophobicContact CB-CE2 3.62Å; F148-F405 HydrophobicContact CD1-CB 4.25Å; F148-F405 AromaticContact CD1-CD2 3.61Å; F148-F405 HydrophobicContact CD1-CD2 3.61Å; F148-F405 HydrophobicContact CD1-CE2 4.1Å; F148-F405 AromaticContact CD1-CG 3.96Å; F148-F405 HydrophobicContact CD1-CG 3.96Å; F148-F405 AromaticContact CD2-CD2 3.97Å; F148-F405 HydrophobicContact CD2-CD2 3.97Å; F148-F405 AromaticContact CD2-CE2 3.6Å; F148-F405 HydrophobicContact CD2-CE2 3.6Å; F148-F405 HydrophobicContact CD2-CZ 4.2Å; F148-F405 HydrophobicContact CE1-CB 4.04Å; F148-F405 AromaticContact CE1-CD1 3.89Å; F148-F405 HydrophobicContact CE1-CD1 3.89Å; F148-F405 AromaticContact CE1-CD2 3.57Å; F148-F405 HydrophobicContact CE1-CD2 3.57Å; F148-F405 HydrophobicContact CE1-CE1 4.25Å; F148-F405 AromaticContact CE1-CE2 3.94Å; F148-F405 HydrophobicContact CE1-CE2 3.94Å; F148-F405 AromaticContact CE1-CG 3.55Å; F148-F405 HydrophobicContact CE1-CG 3.55Å; F148-F405 HydrophobicContact CE1-CZ 4.27Å; F148-F405 AromaticContact CE2-CD2 3.94Å; F148-F405 HydrophobicContact CE2-CD2 3.94Å; F148-F405 HydrophobicContact CE2-CE1 4.15Å; F148-F405 AromaticContact CE2-CE2 3.42Å; F148-F405 HydrophobicContact CE2-CE2 3.42Å; F148-F405 VanDerWaalsContact CE2-CE2 3.42Å; F148-F405 AromaticContact CE2-CZ 3.56Å; F148-F405 HydrophobicContact CE2-CZ 3.56Å; F148-F405 AromaticContact CG-CD2 3.8Å; F148-F405 HydrophobicContact CG-CD2 3.8Å; F148-F405 AromaticContact CG-CE2 3.92Å; F148-F405 HydrophobicContact CG-CE2 3.92Å; F148-F405 AromaticContact CZ-CD1 3.83Å; F148-F405 HydrophobicContact CZ-CD1 3.83Å; F148-F405 AromaticContact CZ-CD2 3.74Å; F148-F405 HydrophobicContact CZ-CD2 3.74Å; F148-F405 AromaticContact CZ-CE1 3.7Å; F148-F405 HydrophobicContact CZ-CE1 3.7Å; F148-F405 AromaticContact CZ-CE2 3.6Å; F148-F405 HydrophobicContact CZ-CE2 3.6Å; F148-F405 AromaticContact CZ-CG 3.86Å; F148-F405 HydrophobicContact CZ-CG 3.86Å; F148-F405 AromaticContact CZ-CZ 3.59Å; F148-F405 HydrophobicContact CZ-CZ 3.59Å; I171-F405 HydrophobicContact CD1-CE1 3.89Å; I171-F405 HydrophobicContact CD1-CZ 3.64Å; I171-F405 HydrophobicContact CG1-CE1 4.12Å; I171-F405 HydrophobicContact CG1-CZ 4.35Å; A401-F405 HydrophobicContact CB-CD2 4.45Å; A401-F405 HydrophobicContact CB-CE2 3.95Å; A401-F405 HydrophobicContact CB-CZ 4.01Å; A401-F405 WeakPolarHBondContact O-CB 3.48Å; A401-F405 VanDerWaalsContact O-CD2 3.25Å; A401-F405 WeakPolarHBondContact O-CD2 3.29Å; A401-F405 WeakPolarHBondContact O-CG 3.27Å; A401-F405 PolarHBondContact O-N 2.86Å; H403-F405 VanDerWaalsContact C-N 3.27Å; H403-F405 PolarHBondContact O-N 3.3Å; F405-H407 VanDerWaalsContact C-N 3.34Å; F405-A408 CarbonylContact O-C 3.45Å; F405-A408 PolarHBondContact O-N 2.9Å; F405-M409 VanDerWaalsContact O-CG 3.27Å; F405-M409 WeakPolarHBondContact O-CG 3.4Å; F405-M409 PolarHBondContact O-N 2.97Å
406	G	98.3	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.9	-44.2	168.6	0	0	0	0	0	111.7	W151 A402 H403 E404 M409 G410 L411	W151-G406 VanDerWaalsContact CZ2-CA 3.42Å; A402-G406 PolarHBondContact O-N 3.01Å; H403-G406 WeakPolarHBondContact O-CA 3.46Å; H403-G406 PolarHBondContact O-N 3.34Å; E404-G406 VanDerWaalsContact C-N 3.26Å; E404-G406 PolarHBondContact O-N 2.83Å; G406-M409 CarbonylContact O-C 3.4Å; G406-M409 WeakPolarHBondContact O-CB 3.19Å; G406-M409 PolarHBondContact O-N 3.3Å; G406-M409 VanDerWaalsContact O-N 3.12Å; G406-G410 PolarHBondContact O-N 3.01Å; G406-L411 VanDerWaalsContact O-CB 3.29Å; G406-L411 WeakPolarHBondContact O-CB 3.28Å; G406-L411 PolarHBondContact O-N 3.12Å
407	H	97.9	Very high	96.7	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.028	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-45	171.8	-74.3	-53.5	0	0	0	112.5	N104 A194 H403 E404 F405 M409 G410 L411 H413	N104-H407 PolarHBondContact ND2-CD2 3.4Å; N104-H407 PolarHBondContact ND2-NE2 3.4Å; A194-H407 HydrophobicContact CB-CB 4.02Å; H403-H407 AromaticContact CD2-CD2 3.66Å; H403-H407 AromaticContact CD2-NE2 3.77Å; H403-H407 AromaticContact NE2-CD2 3.64Å; H403-H407 AromaticContact NE2-NE2 3.21Å; H403-H407 PolarHBondContact NE2-NE2 2.99Å; H403-H407 PolarHBondContact O-N 3.26Å; E404-H407 WeakPolarHBondContact O-CA 3.37Å; E404-H407 WeakPolarHBondContact O-CB 3.39Å; E404-H407 PolarHBondContact O-N 2.98Å; E404-H407 VanDerWaalsContact O-N 3.1Å; E404-H407 IonicContact OE2-CD2 3.44Å; F405-H407 VanDerWaalsContact C-N 3.34Å; H407-M409 PolarHBondContact O-N 2.7Å; H407-M409 VanDerWaalsContact O-N 3.12Å; H407-G410 WeakPolarHBondContact O-CA 3.41Å; H407-G410 PolarHBondContact O-N 3.5Å; H407-L411 PolarHBondContact ND1-O 2.71Å; H407-H413 AromaticContact CE1-CD2 3.83Å; H407-H413 AromaticContact CE1-NE2 3.98Å; H407-H413 AromaticContact NE2-CD2 3.63Å; H407-H413 AromaticContact NE2-CE1 3.96Å; H407-H413 AromaticContact NE2-NE2 3.43Å; H407-H413 PolarHBondContact NE2-NE2 2.88Å
408	A	97.9	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.2	-18.6	174.6	0	0	0	0	0	113.1	W119 I169 P197 G203 E404 F405	W119-A408 PolarHBondContact NE1-O 2.68Å; I169-A408 HydrophobicContact CD1-CB 4.13Å; I169-A408 HydrophobicContact CG1-CB 4.36Å; P197-A408 WeakPolarHBondContact CG-O 3.11Å; G203-A408 VanDerWaalsContact O-CB 3.27Å; G203-A408 WeakPolarHBondContact O-CB 3.25Å; E404-A408 PolarHBondContact O-N 3.41Å; F405-A408 CarbonylContact O-C 3.45Å; F405-A408 PolarHBondContact O-N 2.9Å
409	M	97.3	Very high	96.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.9	170.6	-66.6	-39.1	108.9	0	0	113.5	F148 L157 F159 I169 P197 F405 G406 H407 I441 Y445	F148-M409 HydrophobicContact CE1-CE 4.4Å; L157-M409 HydrophobicContact CD1-CG 4.11Å; L157-M409 HydrophobicContact CD1-SD 3.88Å; F159-M409 HydrophobicContact CE1-CE 3.5Å; F159-M409 HydrophobicContact CE1-SD 3.68Å; F159-M409 HydrophobicContact CZ-CE 3.9Å; F159-M409 HydrophobicContact CZ-CG 4.42Å; F159-M409 HydrophobicContact CZ-SD 3.68Å; I169-M409 HydrophobicContact CD1-CE 3.49Å; I169-M409 VanDerWaalsContact CD1-CE 3.49Å; P197-M409 VanDerWaalsContact CG-C 3.48Å; F405-M409 VanDerWaalsContact O-CG 3.27Å; F405-M409 WeakPolarHBondContact O-CG 3.4Å; F405-M409 PolarHBondContact O-N 2.97Å; G406-M409 CarbonylContact O-C 3.4Å; G406-M409 WeakPolarHBondContact O-CB 3.19Å; G406-M409 PolarHBondContact O-N 3.3Å; G406-M409 VanDerWaalsContact O-N 3.12Å; H407-M409 PolarHBondContact O-N 2.7Å; H407-M409 VanDerWaalsContact O-N 3.12Å; M409-I441 HydrophobicContact CB-CD1 3.6Å; M409-I441 HydrophobicContact CG-CD1 4.07Å; M409-Y445 HydrophobicContact CB-CE2 4.03Å; M409-Y445 VanDerWaalsContact O-CE2 3.28Å; M409-Y445 WeakPolarHBondContact O-CE2 3.48Å; M409-Y445 PolarHBondContact O-OH 3.47Å
410	G	94.6	Very high	96.1	Very high	9 Å²	9	19.1 Å²	19.1	9%	0.093	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	13.4	178.9	0	0	0	0	0	114.5	P197 G406 H407	P197-G410 VanDerWaalsContact CD-CA 3.4Å; P197-G410 VanDerWaalsContact CD-N 3.3Å; G406-G410 PolarHBondContact O-N 3.01Å; H407-G410 WeakPolarHBondContact O-CA 3.41Å; H407-G410 PolarHBondContact O-N 3.5Å
411	L	94.8	Very high	96	Very high	14 Å²	14	19 Å²	19	7%	0.073	10%	0.102	C	C	.	.			trans	-74.9	152.9	167.6	-59.3	179.1	0	0	0	110.8	W151 G406 H407 M421 G440 I441 L444	W151-L411 HydrophobicContact CE3-CD1 4.27Å; W151-L411 HydrophobicContact CH2-CD1 3.37Å; W151-L411 HydrophobicContact CZ2-CD1 4.14Å; W151-L411 HydrophobicContact CZ3-CD1 3.44Å; W151-L411 VanDerWaalsContact CZ3-CD1 3.44Å; G406-L411 VanDerWaalsContact O-CB 3.29Å; G406-L411 WeakPolarHBondContact O-CB 3.28Å; G406-L411 PolarHBondContact O-N 3.12Å; H407-L411 PolarHBondContact ND1-O 2.71Å; L411-M421 HydrophobicContact CB-CE 4.05Å; L411-M421 HydrophobicContact CB-CG 4.19Å; L411-M421 HydrophobicContact CB-SD 4.33Å; L411-M421 HydrophobicContact CD1-CG 3.89Å; L411-M421 HydrophobicContact CD1-SD 4.23Å; L411-G440 VanDerWaalsContact CD2-C 3.45Å; L411-I441 HydrophobicContact CD1-CB 4.19Å; L411-I441 HydrophobicContact CD1-CD1 3.99Å; L411-I441 HydrophobicContact CD2-CB 4.38Å; L411-I441 HydrophobicContact CD2-CD1 4.25Å; L411-I441 HydrophobicContact CG-CD1 4Å; L411-L444 HydrophobicContact CD2-CD1 3.91Å
412	E	93.4	Very high	95.9	Very high	82 Å²	82	19.7 Å²	19.7	38%	0.383	11%	0.108	S	C	.	.			trans	-114.7	168.2	176.4	-64.6	-69.7	166.7	0	0	109.1	S414	E412-S414 PolarHBondContact O-N 3.38Å
413	H	95.4	Very high	95.8	Very high	21 Å²	21	20 Å²	20	10%	0.097	11%	0.109	C	C	.	.			trans	-58.3	133.8	177.6	-76.4	141	0	0	0	112.7	F80 C102 N104 P105 D106 H403 H407 M421	F80-H413 HydrophobicContact CZ-CB 3.97Å; C102-H413 WeakPolarHBondContact CB-NE2 3.3Å; N104-H413 PolarHBondContact O-CE1 3.38Å; P105-H413 PolarHBondContact O-ND1 3.01Å; D106-H413 IonicContact OD1-CG 3.25Å; D106-H413 IonicContact OD1-ND1 2.79Å; D106-H413 PolarHBondContact OD1-ND1 3.49Å; H403-H413 AromaticContact CE1-CD2 3.61Å; H403-H413 AromaticContact CE1-NE2 3.74Å; H403-H413 AromaticContact NE2-CD2 3.55Å; H403-H413 AromaticContact NE2-NE2 3.31Å; H403-H413 PolarHBondContact NE2-NE2 3.15Å; H407-H413 AromaticContact CE1-CD2 3.83Å; H407-H413 AromaticContact CE1-NE2 3.98Å; H407-H413 AromaticContact NE2-CD2 3.63Å; H407-H413 AromaticContact NE2-CE1 3.96Å; H407-H413 AromaticContact NE2-NE2 3.43Å; H407-H413 PolarHBondContact NE2-NE2 2.88Å; H413-M421 CarbonylContact C-O 3.53Å; H413-M421 VanDerWaalsContact CA-O 3.3Å; H413-M421 WeakPolarHBondContact CA-O 3.46Å; H413-M421 PolarHBondContact CD2-O 3.5Å
414	S	94.8	Very high	95.7	Very high	15 Å²	15	20.9 Å²	20.9	11%	0.105	11%	0.114	C	C	.	.			trans	-90.3	149.3	173.3	-175.1	0	0	0	0	111.7	F80 E412 D416 M421 D436	F80-S414 WeakPolarHBondContact CZ-O 3.27Å; E412-S414 PolarHBondContact O-N 3.38Å; S414-D416 WeakPolarHBondContact OG-CB 3.2Å; S414-D416 PolarHBondContact OG-N 2.58Å; S414-M421 PolarHBondContact N-O 2.81Å; S414-D436 VanDerWaalsContact CB-OD2 3.28Å; S414-D436 WeakPolarHBondContact CB-OD2 3.35Å; S414-D436 PolarHBondContact OG-OD2 2.88Å
415	Q	92.8	Very high	95.6	Very high	122 Å²	122	22.9 Å²	22.9	57%	0.57	12%	0.122	S	C	*	.	S	Bend	trans	-89.4	-6.8	169.2	-70.1	171.7	20.7	0	0	112.1	F80 P417	F80-Q415 HydrophobicContact CD1-CG 4.3Å; F80-Q415 HydrophobicContact CD2-CG 3.62Å; F80-Q415 HydrophobicContact CE1-CG 4.22Å; F80-Q415 HydrophobicContact CE2-CG 3.57Å; F80-Q415 HydrophobicContact CG-CG 3.98Å; F80-Q415 HydrophobicContact CZ-CG 3.86Å; Q415-P417 VanDerWaalsContact O-CD 3.27Å; Q415-P417 WeakPolarHBondContact O-CD 3.34Å
416	D	92.3	Very high	95.4	Very high	31 Å²	31	24.4 Å²	24.4	17%	0.166	13%	0.132	C	C	.	.			trans	-74.4	115.7	175.3	-175.9	-11.2	0	0	0	109.7	S414 G418 A419 D436 T465	S414-D416 WeakPolarHBondContact OG-CB 3.2Å; S414-D416 PolarHBondContact OG-N 2.58Å; D416-G418 PolarHBondContact O-N 3.39Å; D416-G418 VanDerWaalsContact O-N 3.07Å; D416-G418 PolarHBondContact OD1-N 3.5Å; D416-A419 HydrophobicContact CB-CB 3.97Å; D416-A419 WeakPolarHBondContact O-CB 3.46Å; D416-A419 PolarHBondContact O-N 2.76Å; D416-D436 HydrophobicContact CB-CB 4.28Å; D416-T465 VanDerWaalsContact OD1-CB 3.25Å; D416-T465 WeakPolarHBondContact OD1-CB 3.43Å; D416-T465 PolarHBondContact OD1-OG1 2.83Å; D416-T465 PolarHBondContact OD2-OG1 3.27Å
417	P	91.4	Very high	95.2	Very high	49 Å²	49	26.3 Å²	26.3	32%	0.318	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.5	-179.7	-23.3	36.3	0	0	0	114.5	Q415 P506 L508	Q415-P417 VanDerWaalsContact O-CD 3.27Å; Q415-P417 WeakPolarHBondContact O-CD 3.34Å; P417-P506 HydrophobicContact CG-CG 4.17Å; P417-P506 WeakPolarHBondContact CG-O 3.3Å; P417-L508 WeakPolarHBondContact O-CD1 3.44Å
418	G	92.3	Very high	94.8	Very high	6 Å²	6	27.2 Å²	27.2	6%	0.062	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-5.1	177.5	0	0	0	0	0	114.7	D416 S434	D416-G418 PolarHBondContact O-N 3.39Å; D416-G418 VanDerWaalsContact O-N 3.07Å; D416-G418 PolarHBondContact OD1-N 3.5Å; G418-S434 WeakPolarHBondContact O-CB 3.12Å
419	A	94.9	Very high	94.3	Very high	8 Å²	8	31.9 Å²	31.9	7%	0.066	17%	0.165	C	C	.	.	S	Bend	trans	-77.9	143	179.3	0	0	0	0	0	111.5	D416 M421 A422 S434 D436 D437	D416-A419 HydrophobicContact CB-CB 3.97Å; D416-A419 WeakPolarHBondContact O-CB 3.46Å; D416-A419 PolarHBondContact O-N 2.76Å; A419-M421 PolarHBondContact O-N 2.58Å; A419-A422 VanDerWaalsContact O-CB 3.23Å; A419-A422 WeakPolarHBondContact O-CB 3.18Å; A419-A422 PolarHBondContact O-N 3.14Å; A419-A422 VanDerWaalsContact O-N 3.15Å; A419-S434 WeakPolarHBondContact CA-OG 3.18Å; A419-D436 HydrophobicContact CB-CB 4.42Å; A419-D437 WeakPolarHBondContact CA-OD2 3.21Å; A419-D437 WeakPolarHBondContact CB-OD1 3.48Å
420	L	97.1	Very high	93.9	Very high	19 Å²	19	36.6 Å²	36.6	10%	0.099	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-41.4	168.6	173.6	61.6	0	0	0	109.7	V150 W151 A402 H403 A422 F431 D437	V150-L420 HydrophobicContact CG1-CD2 4.2Å; W151-L420 HydrophobicContact CH2-CD2 4.04Å; W151-L420 HydrophobicContact CZ2-CD2 3.58Å; A402-L420 HydrophobicContact CB-CD1 4.27Å; A402-L420 HydrophobicContact CB-CD2 3.72Å; H403-L420 HydrophobicContact CB-CD1 4.11Å; H403-L420 HydrophobicContact CB-CG 4.36Å; H403-L420 PolarHBondContact ND1-O 3.43Å; L420-A422 PolarHBondContact O-N 3.45Å; L420-A422 VanDerWaalsContact O-N 3.12Å; L420-F431 HydrophobicContact CB-CE2 3.95Å; L420-F431 HydrophobicContact CB-CZ 3.97Å; L420-F431 HydrophobicContact CD1-CE2 3.82Å; L420-F431 HydrophobicContact CD1-CZ 4.04Å; L420-F431 HydrophobicContact CD2-CE2 4.3Å; L420-F431 HydrophobicContact CD2-CZ 3.7Å; L420-F431 HydrophobicContact CG-CE2 4.23Å; L420-F431 HydrophobicContact CG-CZ 4.11Å; L420-D437 PolarHBondContact N-OD1 3.27Å; L420-D437 PolarHBondContact N-OD2 2.93Å
421	M	97.5	Very high	93.7	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.02	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	8.9	178	-61.5	-52.1	-57.8	0	0	113.7	W151 H403 L411 H413 S414 A419 D437	W151-M421 HydrophobicContact CH2-CG 4.11Å; W151-M421 HydrophobicContact CH2-SD 4Å; W151-M421 HydrophobicContact CZ2-SD 3.91Å; H403-M421 VanDerWaalsContact O-SD 3.42Å; L411-M421 HydrophobicContact CB-CE 4.05Å; L411-M421 HydrophobicContact CB-CG 4.19Å; L411-M421 HydrophobicContact CB-SD 4.33Å; L411-M421 HydrophobicContact CD1-CG 3.89Å; L411-M421 HydrophobicContact CD1-SD 4.23Å; H413-M421 CarbonylContact C-O 3.53Å; H413-M421 VanDerWaalsContact CA-O 3.3Å; H413-M421 WeakPolarHBondContact CA-O 3.46Å; H413-M421 PolarHBondContact CD2-O 3.5Å; S414-M421 PolarHBondContact N-O 2.81Å; A419-M421 PolarHBondContact O-N 2.58Å; M421-D437 WeakPolarHBondContact CB-OD1 3.5Å; M421-D437 WeakPolarHBondContact CG-OD1 3.42Å; M421-D437 PolarHBondContact N-OD1 3.25Å
422	A	96.3	Very high	93.5	Very high	15 Å²	15	42.7 Å²	42.7	12%	0.124	21%	0.211	C	C	.	.			trans	-67.5	137.6	166.9	0	0	0	0	0	109.5	H403 A419 L420 I424	H403-A422 PolarHBondContact CE1-O 2.96Å; H403-A422 VanDerWaalsContact CE1-O 3.23Å; H403-A422 PolarHBondContact ND1-O 3.39Å; A419-A422 VanDerWaalsContact O-CB 3.23Å; A419-A422 WeakPolarHBondContact O-CB 3.18Å; A419-A422 PolarHBondContact O-N 3.14Å; A419-A422 VanDerWaalsContact O-N 3.15Å; L420-A422 PolarHBondContact O-N 3.45Å; L420-A422 VanDerWaalsContact O-N 3.12Å; A422-I424 PolarHBondContact O-N 2.83Å
423	P	96.6	Very high	93.5	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.032	20%	0.197	C	C	.	.	S	Bend	trans	-69.6	-32.3	-170.4	22.5	-33.4	0	0	0	114.5	F80 F81 R101 C102	F80-P423 HydrophobicContact CE1-CG 3.58Å; F80-P423 HydrophobicContact CZ-CG 4.16Å; F81-P423 HydrophobicContact CE1-CG 3.73Å; F81-P423 HydrophobicContact CZ-CG 3.83Å; R101-P423 CarbonylContact C-O 3.55Å; R101-P423 WeakPolarHBondContact CA-O 3.4Å; R101-P423 WeakPolarHBondContact CB-O 3.23Å; C102-P423 PolarHBondContact N-O 2.75Å
424	I	96.7	Very high	93.4	Very high	31 Å²	31	38.7 Å²	38.7	16%	0.159	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-78.7	128.7	-176.7	-70.1	170.4	0	0	0	109.5	F81 T96 K99 A422 T426	F81-I424 HydrophobicContact CD1-CD1 3.69Å; F81-I424 HydrophobicContact CE1-CD1 3.35Å; F81-I424 HydrophobicContact CE1-CG1 3.74Å; F81-I424 HydrophobicContact CZ-CD1 4.16Å; F81-I424 HydrophobicContact CZ-CG1 4.35Å; T96-I424 HydrophobicContact CG2-CD1 3.7Å; K99-I424 HydrophobicContact CB-CD1 4.48Å; K99-I424 HydrophobicContact CB-CG1 4.46Å; K99-I424 HydrophobicContact CB-CG2 3.82Å; K99-I424 HydrophobicContact CD-CD1 4.24Å; K99-I424 HydrophobicContact CD-CG2 3.9Å; K99-I424 HydrophobicContact CG-CG2 4.49Å; A422-I424 PolarHBondContact O-N 2.83Å; I424-T426 PolarHBondContact O-N 2.9Å
425	Y	97.1	Very high	93.3	Very high	43 Å²	43	40 Å²	40	17%	0.169	20%	0.198	C	C	.	.			trans	-63.9	128.7	175.1	174.6	-98.1	0	0	0	110.9	P100 L191 Y395 S396 L399 V400	P100-Y425 PolarHBondContact O-N 3.46Å; L191-Y425 HydrophobicContact CD1-CD2 4.02Å; L191-Y425 HydrophobicContact CD1-CG 3.84Å; Y395-Y425 AromaticContact CD1-CD1 3.55Å; Y395-Y425 HydrophobicContact CD1-CD1 3.55Å; Y395-Y425 HydrophobicContact CD1-CD2 4.3Å; Y395-Y425 AromaticContact CD1-CE1 3.56Å; Y395-Y425 HydrophobicContact CD1-CE1 3.56Å; Y395-Y425 HydrophobicContact CD1-CE2 4.32Å; Y395-Y425 AromaticContact CD1-CG 3.93Å; Y395-Y425 HydrophobicContact CD1-CG 3.93Å; Y395-Y425 AromaticContact CD1-CZ 3.95Å; Y395-Y425 AromaticContact CE1-CD1 3.85Å; Y395-Y425 HydrophobicContact CE1-CD1 3.85Å; Y395-Y425 HydrophobicContact CE1-CE1 4.12Å; Y395-Y425 HydrophobicContact CE1-CG 4.41Å; S396-Y425 PolarHBondContact N-OH 2.93Å; L399-Y425 HydrophobicContact CB-CE2 4.34Å; L399-Y425 HydrophobicContact CD1-CE2 4.38Å; V400-Y425 HydrophobicContact CG2-CD2 3.87Å; V400-Y425 HydrophobicContact CG2-CE2 3.99Å
426	T	94	Very high	93.3	Very high	33 Å²	33	37.1 Å²	37.1	20%	0.202	19%	0.186	C	C	.	.			trans	-133.9	118.1	169.5	-62	0	0	0	0	108.7	I424 T428 L508 A510 T511	I424-T426 PolarHBondContact O-N 2.9Å; T426-T428 HydrophobicContact CG2-CG2 4.38Å; T426-T428 PolarHBondContact O-N 2.84Å; T426-L508 HydrophobicContact CG2-CB 4.11Å; T426-L508 HydrophobicContact CG2-CD1 3.81Å; T426-A510 HydrophobicContact CG2-CB 4.44Å; T426-T511 WeakPolarHBondContact CG2-OG1 3.27Å
427	Y	94.8	Very high	93.5	Very high	39 Å²	39	35.8 Å²	35.8	15%	0.153	18%	0.179	C	C	.	.			trans	-66.3	129.3	174.3	179.5	-114.7	0	0	0	110.3	G216 E217 L399 K429 A510 P514	G216-Y427 VanDerWaalsContact CA-CE2 3.47Å; E217-Y427 HydrophobicContact CG-CE1 3.7Å; E217-Y427 WeakPolarHBondContact CG-OH 3.33Å; E217-Y427 PolarHBondContact OE1-OH 3.37Å; L399-Y427 HydrophobicContact CD1-CD2 3.81Å; L399-Y427 HydrophobicContact CD1-CE2 4.33Å; Y427-K429 HydrophobicContact CE1-CB 4.17Å; Y427-K429 WeakPolarHBondContact OH-CA 3.35Å; Y427-A510 WeakPolarHBondContact O-CB 2.97Å; Y427-P514 HydrophobicContact CD1-CB 3.69Å; Y427-P514 HydrophobicContact CD1-CG 4.46Å; Y427-P514 HydrophobicContact CE1-CB 4.18Å
428	T	89.8	Confident	93.5	Very high	25 Å²	25	34.1 Å²	34.1	15%	0.153	17%	0.167	C	C	.	.			trans	-132.4	112.6	174.6	52.9	0	0	0	0	109.1	T426 N430 L508 A510	T426-T428 HydrophobicContact CG2-CG2 4.38Å; T426-T428 PolarHBondContact O-N 2.84Å; T428-N430 VanDerWaalsContact C-N 3.34Å; T428-N430 PolarHBondContact O-N 2.96Å; T428-L508 HydrophobicContact CG2-CD1 4.35Å; T428-A510 HydrophobicContact CG2-CB 3.91Å
429	K	87.5	Confident	93.5	Very high	98 Å²	98	39.3 Å²	39.3	43%	0.426	19%	0.188	S	C	.	.	S	Bend	trans	-59.5	-45.8	-178.3	-174.7	177.6	-170.9	111.7	0	112.3	E217 Y427	E217-K429 VanDerWaalsContact CD-NZ 3.34Å; E217-K429 WeakPolarHBondContact OE1-CD 3.42Å; E217-K429 WeakPolarHBondContact OE1-CE 3.21Å; E217-K429 WeakPolarHBondContact OE1-CG 3.41Å; E217-K429 IonicContact OE1-NZ 3.64Å; E217-K429 PolarHBondContact OE1-NZ 2.96Å; E217-K429 IonicContact OE2-NZ 2.66Å; E217-K429 PolarHBondContact OE2-NZ 3.37Å; E217-K429 VanDerWaalsContact OE2-NZ 3.15Å; Y427-K429 HydrophobicContact CE1-CB 4.17Å; Y427-K429 WeakPolarHBondContact OH-CA 3.35Å
430	N	87.6	Confident	93.4	Very high	100 Å²	100	40 Å²	40	54%	0.535	20%	0.196	S	C	.	.	S	Bend	trans	-104.6	75.1	177.3	-58.9	-49.1	0	0	0	109.3	T428	T428-N430 VanDerWaalsContact C-N 3.34Å; T428-N430 PolarHBondContact O-N 2.96Å
431	F	91.1	Very high	93.3	Very high	43 Å²	43	39.1 Å²	39.1	19%	0.189	19%	0.191	C	C	.	.			trans	-65.2	136.7	-179	172.5	-102.1	0	0	0	112	V150 F398 L399 L420 L433	V150-F431 HydrophobicContact CB-CE1 4.5Å; V150-F431 HydrophobicContact CG1-CE1 3.78Å; V150-F431 HydrophobicContact CG1-CZ 4.22Å; V150-F431 HydrophobicContact CG2-CD1 4.33Å; V150-F431 HydrophobicContact CG2-CE1 3.81Å; F398-F431 HydrophobicContact CE1-CB 4.09Å; F398-F431 HydrophobicContact CE1-CD1 4.01Å; F398-F431 HydrophobicContact CE1-CG 4.23Å; F398-F431 AromaticContact CZ-CD1 3.93Å; F398-F431 HydrophobicContact CZ-CD1 3.93Å; L399-F431 HydrophobicContact CD2-CB 3.77Å; L399-F431 HydrophobicContact CD2-CD1 4.5Å; L399-F431 HydrophobicContact CD2-CD2 3.7Å; L399-F431 HydrophobicContact CD2-CG 3.71Å; L420-F431 HydrophobicContact CB-CE2 3.95Å; L420-F431 HydrophobicContact CB-CZ 3.97Å; L420-F431 HydrophobicContact CD1-CE2 3.82Å; L420-F431 HydrophobicContact CD1-CZ 4.04Å; L420-F431 HydrophobicContact CD2-CE2 4.3Å; L420-F431 HydrophobicContact CD2-CZ 3.7Å; L420-F431 HydrophobicContact CG-CE2 4.23Å; L420-F431 HydrophobicContact CG-CZ 4.11Å; F431-L433 HydrophobicContact CE1-CB 4.34Å; F431-L433 HydrophobicContact CZ-CB 4.11Å
432	R	91.1	Very high	93	Very high	107 Å²	107	41.6 Å²	41.6	40%	0.404	20%	0.203	S	C	.	.			trans	-142.7	130.5	168.5	-62.1	-175.1	69.1	-161.3	-2.1	109.4	S434 P463 R491 E518	R432-S434 PolarHBondContact O-N 2.76Å; R432-P463 HydrophobicContact CB-CG 4.24Å; R432-R491 PolarHBondContact O-NH1 3.2Å; R432-R491 VanDerWaalsContact O-NH1 3.15Å; R432-E518 WeakPolarHBondContact CD-OE1 2.93Å; R432-E518 IonicContact NH1-OE2 3.35Å
433	L	93.1	Very high	92.8	Very high	18 Å²	18	46.6 Å²	46.6	9%	0.094	22%	0.223	C	C	.	.			trans	-61.7	128.9	177.6	-163.7	155.4	0	0	0	109.5	V150 W151 V154 F431 D437 I438 P463	V150-L433 HydrophobicContact CG1-CB 4.35Å; V150-L433 HydrophobicContact CG1-CD1 3.25Å; V150-L433 HydrophobicContact CG1-CG 4.22Å; V150-L433 WeakPolarHBondContact O-CD1 3.02Å; W151-L433 HydrophobicContact CD2-CD1 4.32Å; W151-L433 HydrophobicContact CE3-CD1 3.7Å; W151-L433 HydrophobicContact CH2-CD1 4.16Å; W151-L433 HydrophobicContact CZ3-CD1 3.6Å; W151-L433 HydrophobicContact CZ3-CG 4.37Å; V154-L433 HydrophobicContact CG2-CD1 4.45Å; F431-L433 HydrophobicContact CE1-CB 4.34Å; F431-L433 HydrophobicContact CZ-CB 4.11Å; L433-D437 HydrophobicContact CD2-CB 3.33Å; L433-D437 HydrophobicContact CG-CB 3.73Å; L433-I438 HydrophobicContact CD2-CB 4.06Å; L433-I438 HydrophobicContact CD2-CD1 4.33Å; L433-I438 HydrophobicContact CD2-CG1 3.21Å; L433-P463 WeakPolarHBondContact O-CD 3.32Å
434	S	93.8	Very high	92.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.007	23%	0.228	C	C	.	.			trans	-73.8	161.3	-173.9	78.2	0	0	0	0	111.6	G418 A419 R432 D436 D437 I438	G418-S434 WeakPolarHBondContact O-CB 3.12Å; A419-S434 WeakPolarHBondContact CA-OG 3.18Å; R432-S434 PolarHBondContact O-N 2.76Å; S434-D436 PolarHBondContact O-N 3.3Å; S434-D436 PolarHBondContact OG-N 3.03Å; S434-D437 VanDerWaalsContact CB-OD2 3.28Å; S434-D437 WeakPolarHBondContact CB-OD2 3.46Å; S434-D437 PolarHBondContact N-OD2 3.43Å; S434-D437 VanDerWaalsContact N-OD2 3.09Å; S434-D437 PolarHBondContact O-N 3.29Å; S434-D437 PolarHBondContact OG-N 3.04Å; S434-D437 VanDerWaalsContact OG-N 3.14Å; S434-D437 PolarHBondContact OG-OD2 2.76Å; S434-I438 WeakPolarHBondContact O-CG1 3.39Å; S434-I438 PolarHBondContact O-N 2.62Å
435	Q	92	Very high	92.4	Very high	43 Å²	43	46.7 Å²	46.7	20%	0.201	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-27.8	174.6	-173.6	53	55.6	0	0	112.7	K439 L461 P463 V464	Q435-K439 WeakPolarHBondContact O-CB 2.96Å; Q435-K439 PolarHBondContact O-N 2.61Å; Q435-L461 VanDerWaalsContact OE1-CA 3.24Å; Q435-P463 PolarHBondContact N-O 2.94Å; Q435-V464 HydrophobicContact CB-CG2 3.83Å; Q435-V464 HydrophobicContact CG-CG2 4.14Å
436	D	92.8	Very high	92.1	Very high	61 Å²	61	46.2 Å²	46.2	33%	0.326	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-46.8	175.7	-171.7	64.9	0	0	0	111.1	S414 D416 A419 S434 K439 G440	S414-D436 VanDerWaalsContact CB-OD2 3.28Å; S414-D436 WeakPolarHBondContact CB-OD2 3.35Å; S414-D436 PolarHBondContact OG-OD2 2.88Å; D416-D436 HydrophobicContact CB-CB 4.28Å; A419-D436 HydrophobicContact CB-CB 4.42Å; S434-D436 PolarHBondContact O-N 3.3Å; S434-D436 PolarHBondContact OG-N 3.03Å; D436-K439 PolarHBondContact O-N 3.45Å; D436-G440 PolarHBondContact O-N 3.05Å
437	D	95.3	Very high	91.9	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-45.4	175.7	-54.9	-61.4	0	0	0	111.5	W151 A419 L420 M421 L433 S434 K439 G440 I441	W151-D437 HydrophobicContact CH2-CB 4.28Å; W151-D437 HydrophobicContact CZ3-CB 4.26Å; A419-D437 WeakPolarHBondContact CA-OD2 3.21Å; A419-D437 WeakPolarHBondContact CB-OD1 3.48Å; L420-D437 PolarHBondContact N-OD1 3.27Å; L420-D437 PolarHBondContact N-OD2 2.93Å; M421-D437 WeakPolarHBondContact CB-OD1 3.5Å; M421-D437 WeakPolarHBondContact CG-OD1 3.42Å; M421-D437 PolarHBondContact N-OD1 3.25Å; L433-D437 HydrophobicContact CD2-CB 3.33Å; L433-D437 HydrophobicContact CG-CB 3.73Å; S434-D437 VanDerWaalsContact CB-OD2 3.28Å; S434-D437 WeakPolarHBondContact CB-OD2 3.46Å; S434-D437 PolarHBondContact N-OD2 3.43Å; S434-D437 VanDerWaalsContact N-OD2 3.09Å; S434-D437 PolarHBondContact O-N 3.29Å; S434-D437 PolarHBondContact OG-N 3.04Å; S434-D437 VanDerWaalsContact OG-N 3.14Å; S434-D437 PolarHBondContact OG-OD2 2.76Å; D437-K439 VanDerWaalsContact C-N 3.26Å; D437-K439 PolarHBondContact O-N 2.91Å; D437-G440 PolarHBondContact O-N 3.11Å; D437-I441 WeakPolarHBondContact O-CG2 3.16Å; D437-I441 PolarHBondContact O-N 3.09Å
438	I	93.3	Very high	91.2	Very high	15 Å²	15	45.6 Å²	45.6	8%	0.077	24%	0.237	C	C	.	.	H	α-helix	trans	-56.8	-47.1	178.1	-67	176.1	0	0	0	108.9	V154 L433 S434 I441 Q442	V154-I438 HydrophobicContact CG1-CG1 4.35Å; L433-I438 HydrophobicContact CD2-CB 4.06Å; L433-I438 HydrophobicContact CD2-CD1 4.33Å; L433-I438 HydrophobicContact CD2-CG1 3.21Å; S434-I438 WeakPolarHBondContact O-CG1 3.39Å; S434-I438 PolarHBondContact O-N 2.62Å; I438-I441 WeakPolarHBondContact O-CG2 3.18Å; I438-Q442 VanDerWaalsContact CG2-CD 3.49Å; I438-Q442 HydrophobicContact CG2-CG 4.2Å; I438-Q442 VanDerWaalsContact O-CB 3.24Å; I438-Q442 WeakPolarHBondContact O-CB 3.23Å; I438-Q442 WeakPolarHBondContact O-CG 3.43Å; I438-Q442 PolarHBondContact O-N 3.29Å
439	K	91	Very high	90.2	Very high	115 Å²	115	47.7 Å²	47.7	50%	0.5	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-48.8	-179.9	179.8	-174	168	-163.4	0	110.6	Q435 D436 D437 I441 Q442 E443	Q435-K439 WeakPolarHBondContact O-CB 2.96Å; Q435-K439 PolarHBondContact O-N 2.61Å; D436-K439 PolarHBondContact O-N 3.45Å; D437-K439 VanDerWaalsContact C-N 3.26Å; D437-K439 PolarHBondContact O-N 2.91Å; K439-I441 PolarHBondContact O-N 2.83Å; K439-Q442 PolarHBondContact O-N 3.05Å; K439-E443 WeakPolarHBondContact CE-OE1 3.43Å; K439-E443 HydrophobicContact CG-CG 4.45Å; K439-E443 IonicContact NZ-OE1 3.59Å; K439-E443 WeakPolarHBondContact O-CB 3.34Å; K439-E443 VanDerWaalsContact O-CG 3.29Å; K439-E443 WeakPolarHBondContact O-CG 3.45Å; K439-E443 PolarHBondContact O-N 3.17Å
440	G	92.7	Very high	89	Confident	22 Å²	22	47.8 Å²	47.8	23%	0.227	26%	0.256	C	S	.	.	H	α-helix	trans	-56.9	-48.6	179.9	0	0	0	0	0	112.5	L411 D436 D437 E443 L444	L411-G440 VanDerWaalsContact CD2-C 3.45Å; D436-G440 PolarHBondContact O-N 3.05Å; D437-G440 PolarHBondContact O-N 3.11Å; G440-E443 PolarHBondContact O-N 3.4Å; G440-L444 PolarHBondContact O-N 2.66Å
441	I	94.5	Very high	87.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-72.2	-37.2	-177.3	-161.8	71.8	0	0	0	112.3	W151 V154 T155 M409 L411 D437 I438 K439 L444 Y445	W151-I441 HydrophobicContact CE3-CB 3.98Å; W151-I441 HydrophobicContact CE3-CD1 4.17Å; W151-I441 HydrophobicContact CE3-CG1 3.89Å; W151-I441 HydrophobicContact CE3-CG2 4.09Å; W151-I441 HydrophobicContact CZ3-CB 4.04Å; W151-I441 HydrophobicContact CZ3-CG1 4.4Å; W151-I441 HydrophobicContact CZ3-CG2 4.23Å; V154-I441 HydrophobicContact CG2-CG2 3.84Å; T155-I441 HydrophobicContact CG2-CB 4.26Å; T155-I441 HydrophobicContact CG2-CG1 3.59Å; T155-I441 HydrophobicContact CG2-CG2 3.75Å; M409-I441 HydrophobicContact CB-CD1 3.6Å; M409-I441 HydrophobicContact CG-CD1 4.07Å; L411-I441 HydrophobicContact CD1-CB 4.19Å; L411-I441 HydrophobicContact CD1-CD1 3.99Å; L411-I441 HydrophobicContact CD2-CB 4.38Å; L411-I441 HydrophobicContact CD2-CD1 4.25Å; L411-I441 HydrophobicContact CG-CD1 4Å; D437-I441 WeakPolarHBondContact O-CG2 3.16Å; D437-I441 PolarHBondContact O-N 3.09Å; I438-I441 WeakPolarHBondContact O-CG2 3.18Å; K439-I441 PolarHBondContact O-N 2.83Å; I441-L444 PolarHBondContact O-N 2.87Å; I441-Y445 HydrophobicContact CD1-CD2 3.72Å; I441-Y445 HydrophobicContact CD1-CE2 3.79Å; I441-Y445 HydrophobicContact CG1-CD2 4.04Å; I441-Y445 WeakPolarHBondContact O-CD2 3.32Å; I441-Y445 PolarHBondContact O-N 3.17Å
442	Q	93.1	Very high	85.4	Confident	57 Å²	57	51.4 Å²	51.4	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-72.9	-27.8	177.6	-69.3	-178	-8.4	0	0	112.6	V154 I438 K439 L444 G446 A447	V154-Q442 WeakPolarHBondContact O-CG 3.46Å; V154-Q442 PolarHBondContact O-NE2 2.87Å; I438-Q442 VanDerWaalsContact CG2-CD 3.49Å; I438-Q442 HydrophobicContact CG2-CG 4.2Å; I438-Q442 VanDerWaalsContact O-CB 3.24Å; I438-Q442 WeakPolarHBondContact O-CB 3.23Å; I438-Q442 WeakPolarHBondContact O-CG 3.43Å; I438-Q442 PolarHBondContact O-N 3.29Å; K439-Q442 PolarHBondContact O-N 3.05Å; Q442-L444 PolarHBondContact O-N 3.11Å; Q442-G446 VanDerWaalsContact O-CA 3.22Å; Q442-G446 WeakPolarHBondContact O-CA 3.5Å; Q442-G446 PolarHBondContact O-N 2.88Å; Q442-A447 HydrophobicContact CG-CB 4.46Å
443	E	90.8	Very high	83.2	Confident	119 Å²	119	52.6 Å²	52.6	56%	0.556	29%	0.291	S	S	*	.	H	α-helix	trans	-62.3	-29.1	169.8	-81.4	-176.8	-166.3	0	0	112.2	K439 G440	K439-E443 WeakPolarHBondContact CE-OE1 3.43Å; K439-E443 HydrophobicContact CG-CG 4.45Å; K439-E443 IonicContact NZ-OE1 3.59Å; K439-E443 WeakPolarHBondContact O-CB 3.34Å; K439-E443 VanDerWaalsContact O-CG 3.29Å; K439-E443 WeakPolarHBondContact O-CG 3.45Å; K439-E443 PolarHBondContact O-N 3.17Å; G440-E443 PolarHBondContact O-N 3.4Å
444	L	91.9	Very high	80.9	Confident	25 Å²	25	55.3 Å²	55.3	13%	0.131	32%	0.322	C	S	.	.	H	α-helix	trans	-84.3	-51.2	175.3	-65	176.9	0	0	0	111.6	K116 K118 L411 G440 I441 Q442	K116-L444 HydrophobicContact CB-CD2 4.4Å; K118-L444 HydrophobicContact CB-CD2 4.49Å; K118-L444 HydrophobicContact CD-CB 4.47Å; K118-L444 VanDerWaalsContact CD-O 3.29Å; K118-L444 WeakPolarHBondContact CD-O 3.21Å; K118-L444 WeakPolarHBondContact CE-O 3.21Å; K118-L444 HydrophobicContact CG-CB 4.32Å; K118-L444 PolarHBondContact NZ-O 3.39Å; L411-L444 HydrophobicContact CD2-CD1 3.91Å; G440-L444 PolarHBondContact O-N 2.66Å; I441-L444 PolarHBondContact O-N 2.87Å; Q442-L444 PolarHBondContact O-N 3.11Å
445	Y	93.6	Very high	78.3	Confident	14 Å²	14	61.9 Å²	61.9	6%	0.055	36%	0.363	C	S	.	.	H	α-helix	trans	-112.3	-8.4	-165.1	-62.3	-79.7	0	0	0	115.4	K118 W119 L157 M409 I441	K118-Y445 HydrophobicContact CD-CD1 4.44Å; K118-Y445 HydrophobicContact CD-CE1 4.16Å; K118-Y445 VanDerWaalsContact CE-CD1 3.46Å; K118-Y445 HydrophobicContact CG-CD1 4.2Å; K118-Y445 HydrophobicContact CG-CE1 3.48Å; K118-Y445 VanDerWaalsContact CG-CE1 3.48Å; K118-Y445 HydrophobicContact CG-CE2 4.25Å; W119-Y445 HydrophobicContact CB-CE1 4.07Å; W119-Y445 PolarHBondContact N-OH 3.3Å; L157-Y445 HydrophobicContact CD1-CD1 4.03Å; L157-Y445 HydrophobicContact CD1-CD2 3.74Å; L157-Y445 HydrophobicContact CD1-CE1 4.25Å; L157-Y445 HydrophobicContact CD1-CE2 3.98Å; L157-Y445 HydrophobicContact CD1-CG 3.77Å; L157-Y445 HydrophobicContact CD2-CD1 3.71Å; L157-Y445 HydrophobicContact CD2-CE1 3.86Å; L157-Y445 HydrophobicContact CD2-CG 4.25Å; L157-Y445 HydrophobicContact CG-CD1 4Å; L157-Y445 HydrophobicContact CG-CD2 4.5Å; L157-Y445 HydrophobicContact CG-CE1 4.46Å; L157-Y445 HydrophobicContact CG-CG 4.02Å; M409-Y445 HydrophobicContact CB-CE2 4.03Å; M409-Y445 VanDerWaalsContact O-CE2 3.28Å; M409-Y445 WeakPolarHBondContact O-CE2 3.48Å; M409-Y445 PolarHBondContact O-OH 3.47Å; I441-Y445 HydrophobicContact CD1-CD2 3.72Å; I441-Y445 HydrophobicContact CD1-CE2 3.79Å; I441-Y445 HydrophobicContact CG1-CD2 4.04Å; I441-Y445 WeakPolarHBondContact O-CD2 3.32Å; I441-Y445 PolarHBondContact O-N 3.17Å
446	G	90.8	Very high	76	Confident	32 Å²	32	61.8 Å²	61.8	33%	0.33	37%	0.374	S	S	.	.			trans	80.4	170.9	-169.5	0	0	0	0	0	112.9	P156 Q442	P156-G446 VanDerWaalsContact CD-O 3.29Å; P156-G446 WeakPolarHBondContact CD-O 3.35Å; Q442-G446 VanDerWaalsContact O-CA 3.22Å; Q442-G446 WeakPolarHBondContact O-CA 3.5Å; Q442-G446 PolarHBondContact O-N 2.88Å
447	A	89.3	Confident	73.3	Confident	52 Å²	52	64.5 Å²	64.5	43%	0.43	40%	0.395	S	S	.	.	S	Bend	trans	-79.2	159.6	176.1	0	0	0	0	0	112	P156 Q442	P156-A447 WeakPolarHBondContact CD-O 3.26Å; P156-A447 WeakPolarHBondContact CG-O 3.44Å; Q442-A447 HydrophobicContact CG-CB 4.46Å
448	S	80.3	Confident	70.8	Confident	8 Å²	8	70.1 Å²	70.1	6%	0.056	43%	0.429	C	S	.	.			trans	-58	135.4	179.7	-178.3	0	0	0	0	112.4	V154 D450 I451	V154-S448 PolarHBondContact O-N 3.03Å; S448-D450 PolarHBondContact O-N 2.81Å; S448-I451 PolarHBondContact O-N 3.05Å
449	P	69.6	Low	68.6	Low	69 Å²	69	73.4 Å²	73.4	45%	0.448	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-62.2	-25.3	178	-18.6	31	0	0	0	113.5	P156 I451 D452	P156-P449 HydrophobicContact CB-CG 4.04Å; P156-P449 HydrophobicContact CG-CG 4.25Å; P449-I451 PolarHBondContact O-N 3.11Å; P449-D452 PolarHBondContact O-N 3.14Å
450	D	61.9	Low	66.8	Low	99 Å²	99	73 Å²	73	53%	0.529	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-71.8	-15	-177.4	-60.3	-46.4	0	0	0	112.6	R158 S448	R158-D450 IonicContact NH2-OD2 3.25Å; R158-D450 PolarHBondContact NH2-OD2 2.85Å; S448-D450 PolarHBondContact O-N 2.81Å
451	I	56	Low	65.4	Low	66 Å²	66	78.4 Å²	78.4	34%	0.338	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-81.7	-23.7	176.6	-60.8	177.1	0	0	0	111.4	S448 P449 P459	S448-I451 PolarHBondContact O-N 3.05Å; P449-I451 PolarHBondContact O-N 3.11Å; I451-P459 HydrophobicContact CG2-CB 4.35Å
452	D	45.8	Very low	64.4	Low	154 Å²	154	78.7 Å²	78.7	82%	0.824	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.2	-172.9	-137.1	7.8	0	0	0	113.5	P449	P449-D452 PolarHBondContact O-N 3.14Å
453	L	46.3	Very low	64	Low	132 Å²	132	77.2 Å²	77.2	69%	0.691	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	6.7	-178.8	-72.7	171.4	0	0	0	114.8	T455	L453-T455 PolarHBondContact O-N 3.44Å
454	G	44.7	Very low	64	Low	74 Å²	74	76 Å²	76	76%	0.763	48%	0.48	S	S	*	.	S	Bend	trans	66.2	8.4	167.8	0	0	0	0	0	116.6
455	T	37.8	Very low	63.9	Low	140 Å²	140	75.7 Å²	75.7	86%	0.859	48%	0.48	S	S	*	.	S	Bend	trans	-116.6	2	176.5	55.2	0	0	0	0	114.1	L453	L453-T455 PolarHBondContact O-N 3.44Å
456	G	43.8	Very low	63.8	Low	41 Å²	41	75.7 Å²	75.7	42%	0.423	48%	0.482	S	S	.	.	S	Bend	trans	-105.7	157.3	175.1	0	0	0	0	0	112.6	T458	G456-T458 PolarHBondContact O-N 2.68Å
457	P	37.4	Very low	63.7	Low	118 Å²	118	78.3 Å²	78.3	77%	0.766	49%	0.485	S	S	*	.			trans	-56.2	132.3	172.7	23.9	-31.1	0	0	0	109.8
458	T	42.6	Very low	63.7	Low	121 Å²	121	76.8 Å²	76.8	74%	0.742	47%	0.469	S	S	*	.			trans	-35.1	144.9	171.8	11.7	0	0	0	0	112	G456 T460	G456-T458 PolarHBondContact O-N 2.68Å; T458-T460 PolarHBondContact O-N 3.29Å
459	P	47.8	Very low	64	Low	83 Å²	83	78.3 Å²	78.3	54%	0.539	48%	0.48	S	S	.	.			trans	-48.8	108.6	-175.8	18.9	-31.1	0	0	0	109.1	I451 L461	I451-P459 HydrophobicContact CG2-CB 4.35Å; P459-L461 VanDerWaalsContact C-N 3.34Å; P459-L461 PolarHBondContact O-N 3.4Å
460	T	51.9	Low	64.9	Low	106 Å²	106	82 Å²	82	65%	0.65	49%	0.489	S	S	*	.			trans	-64.4	104.4	176	5.8	0	0	0	0	105.5	T458 G462	T458-T460 PolarHBondContact O-N 3.29Å; T460-G462 PolarHBondContact O-N 3.25Å; T460-G462 VanDerWaalsContact O-N 3.13Å
461	L	64.2	Low	66.2	Low	136 Å²	136	82.3 Å²	82.3	71%	0.712	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-47.8	123.9	165.2	-69.2	164.5	0	0	0	106.4	Q435 P459	Q435-L461 VanDerWaalsContact OE1-CA 3.24Å; P459-L461 VanDerWaalsContact C-N 3.34Å; P459-L461 PolarHBondContact O-N 3.4Å
462	G	73.4	Confident	67.7	Low	7 Å²	7	85.4 Å²	85.4	7%	0.072	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-59.5	166	173.2	0	0	0	0	0	110	T460 V464	T460-G462 PolarHBondContact O-N 3.25Å; T460-G462 VanDerWaalsContact O-N 3.13Å; G462-V464 PolarHBondContact O-N 2.73Å
463	P	85.3	Confident	69.8	Low	25 Å²	25	79.2 Å²	79.2	16%	0.162	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-56.4	134.9	173.5	-22.6	34	0	0	0	110.7	R432 L433 Q435	R432-P463 HydrophobicContact CB-CG 4.24Å; L433-P463 WeakPolarHBondContact O-CD 3.32Å; Q435-P463 PolarHBondContact N-O 2.94Å
464	V	89.2	Confident	72.1	Confident	94 Å²	94	76 Å²	76	57%	0.57	46%	0.457	S	S	*	.			trans	-105.9	136.7	177.8	178.9	0	0	0	0	109	Q435 G462 P466	Q435-V464 HydrophobicContact CB-CG2 3.83Å; Q435-V464 HydrophobicContact CG-CG2 4.14Å; G462-V464 PolarHBondContact O-N 2.73Å; V464-P466 WeakPolarHBondContact O-CD 3.01Å
465	T	90.1	Very high	74.6	Confident	18 Å²	18	72.9 Å²	72.9	11%	0.11	42%	0.422	C	S	.	.			trans	-74.8	121.5	176.8	-60.3	0	0	0	0	111.2	D416 F492 P506	D416-T465 VanDerWaalsContact OD1-CB 3.25Å; D416-T465 WeakPolarHBondContact OD1-CB 3.43Å; D416-T465 PolarHBondContact OD1-OG1 2.83Å; D416-T465 PolarHBondContact OD2-OG1 3.27Å; T465-F492 HydrophobicContact CG2-CD1 4.21Å; T465-F492 HydrophobicContact CG2-CE1 3.81Å; T465-F492 HydrophobicContact CG2-CE2 4.29Å; T465-F492 HydrophobicContact CG2-CZ 3.85Å; T465-F492 WeakPolarHBondContact OG1-CZ 3.31Å; T465-P506 HydrophobicContact CG2-CB 4.14Å; T465-P506 HydrophobicContact CG2-CG 3.5Å
466	P	91.8	Very high	77.4	Confident	15 Å²	15	66.8 Å²	66.8	10%	0.097	38%	0.384	C	S	.	.			trans	-68.8	143.1	-179.5	-16.4	29.2	0	0	0	111.9	V464 I473 K489 F492 W494	V464-P466 WeakPolarHBondContact O-CD 3.01Å; P466-I473 HydrophobicContact CB-CD1 3.84Å; P466-K489 HydrophobicContact CB-CG 4.34Å; P466-K489 HydrophobicContact CG-CB 4.38Å; P466-K489 HydrophobicContact CG-CG 3.79Å; P466-F492 HydrophobicContact CG-CD2 4.2Å; P466-W494 HydrophobicContact CB-CH2 3.81Å; P466-W494 HydrophobicContact CB-CZ2 4.27Å; P466-W494 HydrophobicContact CG-CH2 4.04Å; P466-W494 VanDerWaalsContact O-CZ2 3.31Å; P466-W494 WeakPolarHBondContact O-CZ2 3.22Å
467	E	89.6	Confident	79.9	Confident	86 Å²	86	64.9 Å²	64.9	40%	0.402	37%	0.365	S	S	.	.			trans	-110.9	106.3	175.4	-70.3	-167.8	125.3	0	0	111.3	K470 Q471	E467-K470 HydrophobicContact CB-CB 4.27Å; E467-K470 HydrophobicContact CB-CD 4.14Å; E467-K470 PolarHBondContact O-N 3.04Å; E467-K470 IonicContact OE1-NZ 3.89Å; E467-K470 PolarHBondContact OE1-NZ 3.02Å; E467-K470 WeakPolarHBondContact OE2-CD 3.46Å; E467-K470 IonicContact OE2-NZ 3.56Å; E467-K470 PolarHBondContact OE2-NZ 2.9Å; E467-Q471 PolarHBondContact O-N 2.57Å
468	I	87.9	Confident	82.7	Confident	20 Å²	20	59.4 Å²	59.4	10%	0.103	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	150.5	171.9	60.5	165.7	0	0	0	111.1	K470 I473 F475 W494 P503 L658	I468-K470 PolarHBondContact O-N 3.19Å; I468-I473 HydrophobicContact CG2-CD1 4.04Å; I468-F475 HydrophobicContact CG2-CE1 4.47Å; I468-F475 HydrophobicContact CG2-CZ 4.21Å; I468-W494 VanDerWaalsContact CD1-CD1 3.48Å; I468-W494 HydrophobicContact CD1-CG 4.1Å; I468-W494 HydrophobicContact CG2-CD2 3.76Å; I468-W494 HydrophobicContact CG2-CE3 4.24Å; I468-W494 HydrophobicContact CG2-CG 4.21Å; I468-W494 HydrophobicContact CG2-CH2 4.41Å; I468-W494 HydrophobicContact CG2-CZ2 3.88Å; I468-P503 HydrophobicContact CD1-CG 3.56Å; I468-L658 HydrophobicContact CB-CD1 4.37Å; I468-L658 HydrophobicContact CG2-CD1 4.36Å
469	C	87.2	Confident	85.2	Confident	41 Å²	41	53.9 Å²	53.9	28%	0.277	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	-29.6	-173.8	-53.7	0	0	0	0	117	K654 C660	C469-K654 WeakPolarHBondContact O-CE 3.36Å; C469-K654 PolarHBondContact O-NZ 3.47Å; C469-C660 WeakPolarHBondContact CA-SG 3.24Å; C469-C660 HydrophobicContact CB-CB 3.77Å; C469-C660 WeakPolarHBondContact CB-SG 2.95Å; C469-C660 WeakPolarHBondContact SG-CB 3.33Å; C469-C660 CovalentContact SG-SG 2.03Å; C469-C660 PolarHBondContact SG-SG 3.3Å
470	K	89.1	Confident	87.3	Confident	146 Å²	146	51.7 Å²	51.7	64%	0.635	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-35.2	178.8	-73.2	171.8	174.3	178.1	0	112.9	E467 I468	E467-K470 HydrophobicContact CB-CB 4.27Å; E467-K470 HydrophobicContact CB-CD 4.14Å; E467-K470 PolarHBondContact O-N 3.04Å; E467-K470 IonicContact OE1-NZ 3.89Å; E467-K470 PolarHBondContact OE1-NZ 3.02Å; E467-K470 WeakPolarHBondContact OE2-CD 3.46Å; E467-K470 IonicContact OE2-NZ 3.56Å; E467-K470 PolarHBondContact OE2-NZ 2.9Å; I468-K470 PolarHBondContact O-N 3.19Å
471	Q	88.1	Confident	89.2	Confident	105 Å²	105	47 Å²	47	49%	0.491	25%	0.249	S	C	.	.	S	Bend	trans	-114.6	160.6	179.6	-57.6	179.7	23.3	0	0	110.1	E467 I473	E467-Q471 PolarHBondContact O-N 2.57Å; Q471-I473 HydrophobicContact CB-CG1 4.34Å
472	D	86.9	Confident	90.3	Very high	131 Å²	131	46.9 Å²	46.9	70%	0.701	24%	0.239	S	C	*	.			trans	-91.8	113.5	170.7	-65.9	-26.2	0	0	0	108.1	K654	D472-K654 IonicContact OD1-NZ 3.59Å; D472-K654 PolarHBondContact OD1-NZ 2.74Å; D472-K654 VanDerWaalsContact OD1-NZ 3.1Å
473	I	91.4	Very high	91	Very high	24 Å²	24	48.1 Å²	48.1	12%	0.123	25%	0.252	C	S	.	.			trans	-113	131	-170.7	-61.3	172.8	0	0	0	108.7	P466 I468 Q471 F475 K489	P466-I473 HydrophobicContact CB-CD1 3.84Å; I468-I473 HydrophobicContact CG2-CD1 4.04Å; Q471-I473 HydrophobicContact CB-CG1 4.34Å; I473-F475 HydrophobicContact CG2-CD1 4.2Å; I473-F475 HydrophobicContact CG2-CE1 4.1Å; I473-F475 HydrophobicContact CG2-CZ 4.42Å; I473-K489 HydrophobicContact CG2-CB 4.4Å; I473-K489 HydrophobicContact CG2-CD 3.71Å; I473-K489 HydrophobicContact CG2-CG 3.88Å
474	V	94.7	Very high	91.3	Very high	65 Å²	65	49.3 Å²	49.3	39%	0.394	26%	0.255	S	S	.	.			trans	-97.1	109	165.4	-176.7	0	0	0	0	107.5	K489 D618	V474-K489 WeakPolarHBondContact O-CD 3.25Å; V474-K489 WeakPolarHBondContact O-CE 3.38Å; V474-K489 PolarHBondContact O-NZ 3.5Å; V474-D618 HydrophobicContact CG1-CB 4.23Å; V474-D618 WeakPolarHBondContact CG1-OD2 3.49Å
475	F	96.1	Very high	91.5	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.035	23%	0.229	C	C	.	.			trans	-67	146.5	178	-65.4	-72.2	0	0	0	110.8	I468 I473 G477 I478 F487 F488 K489 W494 I653 L658	I468-F475 HydrophobicContact CG2-CE1 4.47Å; I468-F475 HydrophobicContact CG2-CZ 4.21Å; I473-F475 HydrophobicContact CG2-CD1 4.2Å; I473-F475 HydrophobicContact CG2-CE1 4.1Å; I473-F475 HydrophobicContact CG2-CZ 4.42Å; F475-G477 VanDerWaalsContact C-N 3.33Å; F475-I478 HydrophobicContact CB-CD1 4.31Å; F475-I478 HydrophobicContact CB-CG1 4.03Å; F475-I478 HydrophobicContact CD2-CD1 4.04Å; F475-I478 HydrophobicContact CD2-CG1 4.46Å; F475-I478 HydrophobicContact CG-CD1 4.45Å; F475-I478 HydrophobicContact CG-CG1 4.4Å; F475-F487 HydrophobicContact CD1-CB 3.8Å; F475-F487 HydrophobicContact CD2-CD1 4.16Å; F475-F487 HydrophobicContact CE1-CB 3.65Å; F475-F487 HydrophobicContact CE1-CG 4.46Å; F475-F487 AromaticContact CE2-CD1 3.97Å; F475-F487 HydrophobicContact CE2-CD1 3.97Å; F475-F487 HydrophobicContact CG-CB 4.31Å; F475-F487 HydrophobicContact CZ-CB 4.02Å; F475-F487 HydrophobicContact CZ-CD1 4.18Å; F475-F487 HydrophobicContact CZ-CG 4.36Å; F475-F488 CarbonylContact C-O 3.59Å; F475-F488 WeakPolarHBondContact CA-O 3.3Å; F475-F488 WeakPolarHBondContact CB-O 3.24Å; F475-F488 WeakPolarHBondContact CD1-O 3.1Å; F475-K489 HydrophobicContact CD1-CB 4.14Å; F475-W494 AromaticContact CE1-CE3 3.85Å; F475-W494 HydrophobicContact CE1-CE3 3.85Å; F475-W494 AromaticContact CE1-CZ3 3.95Å; F475-W494 HydrophobicContact CE1-CZ3 3.95Å; F475-I653 HydrophobicContact CD2-CG2 4.41Å; F475-I653 HydrophobicContact CE2-CG2 4.04Å; F475-L658 HydrophobicContact CE2-CD1 3.94Å; F475-L658 HydrophobicContact CE2-CD2 4.21Å; F475-L658 HydrophobicContact CZ-CD1 3.84Å; F475-L658 HydrophobicContact CZ-CD2 4.02Å
476	D	96.6	Very high	91.7	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.07	23%	0.225	C	C	.	.	S	Bend	trans	-86	-11.1	177	-47.1	-62.8	0	0	0	112.2	F488 K489 D490 K519 I520 D521	D476-F488 PolarHBondContact N-O 3.02Å; D476-K489 IonicContact OD1-NZ 2.73Å; D476-K489 PolarHBondContact OD1-NZ 3.33Å; D476-K489 VanDerWaalsContact OD2-CA 3.28Å; D476-K489 WeakPolarHBondContact OD2-CA 3.33Å; D476-K489 IonicContact OD2-NZ 3.18Å; D476-K489 PolarHBondContact OD2-NZ 3.18Å; D476-D490 PolarHBondContact OD2-N 3.46Å; D476-K519 HydrophobicContact CB-CG 4.31Å; D476-K519 VanDerWaalsContact OD1-CE 3.23Å; D476-K519 WeakPolarHBondContact OD1-CE 3.29Å; D476-K519 IonicContact OD1-NZ 2.76Å; D476-K519 PolarHBondContact OD1-NZ 2.01Å; D476-I520 WeakPolarHBondContact CB-O 3.37Å; D476-D521 CarbonylContact O-C 3.6Å; D476-D521 VanDerWaalsContact O-C 3.29Å
477	G	96.5	Very high	91.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	148	171.9	0	0	0	0	0	111.7	F475 F488	F475-G477 VanDerWaalsContact C-N 3.33Å; G477-F488 PolarHBondContact O-N 3.27Å
478	I	96.8	Very high	92.3	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	123.3	174	-55.3	174.9	0	0	0	107.8	F475 I485 F486 F487 A619 F632	F475-I478 HydrophobicContact CB-CD1 4.31Å; F475-I478 HydrophobicContact CB-CG1 4.03Å; F475-I478 HydrophobicContact CD2-CD1 4.04Å; F475-I478 HydrophobicContact CD2-CG1 4.46Å; F475-I478 HydrophobicContact CG-CD1 4.45Å; F475-I478 HydrophobicContact CG-CG1 4.4Å; I478-I485 HydrophobicContact CG2-CG2 4.26Å; I478-F486 WeakPolarHBondContact CA-O 3.27Å; I478-F487 HydrophobicContact CD1-CD1 3.87Å; I478-F487 HydrophobicContact CD1-CE1 4.12Å; I478-F487 HydrophobicContact CG1-CD1 3.9Å; I478-F487 HydrophobicContact CG1-CE1 4.47Å; I478-F487 HydrophobicContact CG2-CD1 4.03Å; I478-F487 HydrophobicContact CG2-CE1 4.01Å; I478-A619 HydrophobicContact CB-CB 3.78Å; I478-A619 HydrophobicContact CD1-CB 4.31Å; I478-A619 HydrophobicContact CG1-CB 3.94Å; I478-F632 HydrophobicContact CB-CE2 4.41Å; I478-F632 HydrophobicContact CD1-CB 4.39Å; I478-F632 HydrophobicContact CD1-CD1 3.67Å; I478-F632 HydrophobicContact CD1-CD2 4.1Å; I478-F632 HydrophobicContact CD1-CE1 3.87Å; I478-F632 HydrophobicContact CD1-CE2 4.26Å; I478-F632 HydrophobicContact CD1-CG 3.8Å; I478-F632 HydrophobicContact CD1-CZ 4.15Å; I478-F632 HydrophobicContact CG2-CE2 4.28Å; I478-F632 HydrophobicContact CG2-CZ 4.31Å
479	A	94.9	Very high	92.6	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.033	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	155.4	-179.8	0	0	0	0	0	112.4	I481 I485 F486 V523	A479-I481 HydrophobicContact CB-CG1 4.38Å; A479-I485 WeakPolarHBondContact O-CA 3.39Å; A479-F486 PolarHBondContact N-O 2.7Å; A479-F486 VanDerWaalsContact N-O 3.12Å; A479-F486 PolarHBondContact O-N 2.94Å; A479-V523 HydrophobicContact CB-CB 4.33Å; A479-V523 HydrophobicContact CB-CG1 3.72Å; A479-V523 HydrophobicContact CB-CG2 4Å
480	Q	92.8	Very high	92.9	Very high	37 Å²	37	41.4 Å²	41.4	17%	0.173	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.7	164.1	-172.4	170.9	34.6	0	0	108.4	G483 E484 E525 V621 L623	Q480-G483 PolarHBondContact NE2-O 2.88Å; Q480-E484 CarbonylContact C-O 3.53Å; Q480-E484 VanDerWaalsContact CA-O 3.26Å; Q480-E484 WeakPolarHBondContact CA-O 3.44Å; Q480-E525 WeakPolarHBondContact O-CB 3.39Å; Q480-V621 HydrophobicContact CB-CG2 4.16Å; Q480-L623 HydrophobicContact CB-CD2 4.4Å
481	I	91.4	Very high	93.1	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.041	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121	177.5	-57.7	171.7	0	0	0	106.7	A479 G483 E484 F486 F488 W513 V523 A532 F534	A479-I481 HydrophobicContact CB-CG1 4.38Å; I481-G483 PolarHBondContact O-N 3.29Å; I481-G483 VanDerWaalsContact O-N 3.12Å; I481-E484 PolarHBondContact N-O 2.96Å; I481-E484 PolarHBondContact O-N 3.44Å; I481-F486 HydrophobicContact CB-CD2 3.88Å; I481-F486 HydrophobicContact CB-CE2 3.9Å; I481-F486 HydrophobicContact CD1-CD2 4.16Å; I481-F486 HydrophobicContact CD1-CG 4.44Å; I481-F486 HydrophobicContact CG1-CD2 4.24Å; I481-F488 HydrophobicContact CD1-CE2 4.48Å; I481-F488 HydrophobicContact CD1-CZ 4.23Å; I481-W513 HydrophobicContact CD1-CH2 4.05Å; I481-W513 HydrophobicContact CD1-CZ2 4.2Å; I481-V523 HydrophobicContact CD1-CG2 4.01Å; I481-A532 HydrophobicContact CD1-CB 4.29Å; I481-A532 HydrophobicContact CG2-CB 4.27Å; I481-F534 HydrophobicContact CD1-CZ 4.28Å
482	R	87.3	Confident	93.4	Very high	133 Å²	133	30.9 Å²	30.9	50%	0.502	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	37.1	177.7	-62.1	179.9	168.1	-155.4	-15	114.5	E484 E525 A545	R482-E484 VanDerWaalsContact C-N 3.31Å; R482-E484 PolarHBondContact O-N 3Å; R482-E525 WeakPolarHBondContact CG-OE1 3.36Å; R482-E525 PolarHBondContact N-OE1 3.39Å; R482-E525 PolarHBondContact N-OE2 3.31Å; R482-A545 VanDerWaalsContact NH1-CB 3.25Å; R482-A545 VanDerWaalsContact NH2-CB 3.26Å; R482-A545 VanDerWaalsContact NH2-N 3.11Å
483	G	87.4	Confident	93.8	Very high	34 Å²	34	24.7 Å²	24.7	35%	0.351	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-12.6	178.6	0	0	0	0	0	115.3	Q480 I481	Q480-G483 PolarHBondContact NE2-O 2.88Å; I481-G483 PolarHBondContact O-N 3.29Å; I481-G483 VanDerWaalsContact O-N 3.12Å
484	E	91.1	Very high	93.9	Very high	49 Å²	49	23.6 Å²	23.6	23%	0.229	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	147.2	173.1	-70.6	-179.6	176.1	0	0	111.1	Q480 I481 R482 F486 R495 V497	Q480-E484 CarbonylContact C-O 3.53Å; Q480-E484 VanDerWaalsContact CA-O 3.26Å; Q480-E484 WeakPolarHBondContact CA-O 3.44Å; I481-E484 PolarHBondContact N-O 2.96Å; I481-E484 PolarHBondContact O-N 3.44Å; R482-E484 VanDerWaalsContact C-N 3.31Å; R482-E484 PolarHBondContact O-N 3Å; E484-F486 HydrophobicContact CB-CD2 4.19Å; E484-F486 HydrophobicContact CB-CE2 3.64Å; E484-F486 HydrophobicContact CB-CZ 4.35Å; E484-R495 IonicContact OE1-CZ 2.75Å; E484-R495 IonicContact OE1-NH1 3.38Å; E484-R495 PolarHBondContact OE1-NH1 2.99Å; E484-R495 VanDerWaalsContact OE2-CD 3.25Å; E484-R495 WeakPolarHBondContact OE2-CD 3.46Å; E484-R495 IonicContact OE2-CZ 2.91Å; E484-R495 IonicContact OE2-NE 3.78Å; E484-R495 IonicContact OE2-NH1 3.76Å; E484-R495 PolarHBondContact OE2-NH1 3.15Å; E484-V497 HydrophobicContact CG-CG2 3.95Å
485	I	93.6	Very high	93.9	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123	173.6	-59.5	159.3	0	0	0	107.8	I478 A479 F487 R495 T496 P499 L623 W657	I478-I485 HydrophobicContact CG2-CG2 4.26Å; A479-I485 WeakPolarHBondContact O-CA 3.39Å; I485-F487 HydrophobicContact CG2-CD2 4.44Å; I485-F487 HydrophobicContact CG2-CE2 3.78Å; I485-F487 HydrophobicContact CG2-CZ 3.83Å; I485-R495 CarbonylContact O-C 2.96Å; I485-R495 WeakPolarHBondContact O-CA 3.13Å; I485-T496 HydrophobicContact CB-CG2 4.23Å; I485-T496 PolarHBondContact N-O 3.22Å; I485-T496 PolarHBondContact O-N 3.13Å; I485-P499 HydrophobicContact CD1-CB 4.29Å; I485-P499 HydrophobicContact CD1-CG 3.71Å; I485-L623 HydrophobicContact CD1-CD1 4.38Å; I485-L623 HydrophobicContact CD1-CD2 3.76Å; I485-L623 HydrophobicContact CG1-CD2 3.8Å; I485-W657 HydrophobicContact CD1-CZ3 4.01Å; I485-W657 HydrophobicContact CG2-CZ3 4.39Å
486	F	95.1	Very high	93.6	Very high	9 Å²	9	22.8 Å²	22.8	4%	0.039	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135	178.3	-72.9	-99.9	0	0	0	110.7	I478 A479 I481 E484 F488 I493 W494 R495 W513	I478-F486 WeakPolarHBondContact CA-O 3.27Å; A479-F486 PolarHBondContact N-O 2.7Å; A479-F486 VanDerWaalsContact N-O 3.12Å; A479-F486 PolarHBondContact O-N 2.94Å; I481-F486 HydrophobicContact CB-CD2 3.88Å; I481-F486 HydrophobicContact CB-CE2 3.9Å; I481-F486 HydrophobicContact CD1-CD2 4.16Å; I481-F486 HydrophobicContact CD1-CG 4.44Å; I481-F486 HydrophobicContact CG1-CD2 4.24Å; E484-F486 HydrophobicContact CB-CD2 4.19Å; E484-F486 HydrophobicContact CB-CE2 3.64Å; E484-F486 HydrophobicContact CB-CZ 4.35Å; F486-F488 HydrophobicContact CB-CD2 4.11Å; F486-F488 HydrophobicContact CB-CE2 3.34Å; F486-F488 HydrophobicContact CB-CZ 3.86Å; F486-F488 HydrophobicContact CD1-CZ 4.39Å; F486-F488 HydrophobicContact CG-CE2 4.29Å; F486-F488 HydrophobicContact CG-CZ 4.35Å; F486-I493 HydrophobicContact CD1-CB 4.49Å; F486-I493 HydrophobicContact CD1-CD1 3.92Å; F486-I493 HydrophobicContact CE1-CD1 3.9Å; F486-W494 CarbonylContact C-O 3.59Å; F486-W494 WeakPolarHBondContact CA-O 3.31Å; F486-R495 HydrophobicContact CD1-CB 3.86Å; F486-R495 HydrophobicContact CE1-CB 3.83Å; F486-R495 HydrophobicContact CE1-CG 4.4Å; F486-R495 HydrophobicContact CG-CB 4.27Å; F486-R495 HydrophobicContact CZ-CB 4.19Å; F486-W513 HydrophobicContact CD1-CH2 4.18Å; F486-W513 HydrophobicContact CD1-CZ3 4.46Å; F486-W513 AromaticContact CE1-CH2 3.98Å; F486-W513 HydrophobicContact CE1-CH2 3.98Å; F486-W513 HydrophobicContact CE1-CZ3 4.44Å; F486-W513 HydrophobicContact CZ-CH2 4.35Å
487	F	96.1	Very high	93.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.2	172.8	-57.8	-93.9	0	0	0	108.2	F475 I478 I485 I493 W494 T496 W657 L658	F475-F487 HydrophobicContact CD1-CB 3.8Å; F475-F487 HydrophobicContact CD2-CD1 4.16Å; F475-F487 HydrophobicContact CE1-CB 3.65Å; F475-F487 HydrophobicContact CE1-CG 4.46Å; F475-F487 AromaticContact CE2-CD1 3.97Å; F475-F487 HydrophobicContact CE2-CD1 3.97Å; F475-F487 HydrophobicContact CG-CB 4.31Å; F475-F487 HydrophobicContact CZ-CB 4.02Å; F475-F487 HydrophobicContact CZ-CD1 4.18Å; F475-F487 HydrophobicContact CZ-CG 4.36Å; I478-F487 HydrophobicContact CD1-CD1 3.87Å; I478-F487 HydrophobicContact CD1-CE1 4.12Å; I478-F487 HydrophobicContact CG1-CD1 3.9Å; I478-F487 HydrophobicContact CG1-CE1 4.47Å; I478-F487 HydrophobicContact CG2-CD1 4.03Å; I478-F487 HydrophobicContact CG2-CE1 4.01Å; I485-F487 HydrophobicContact CG2-CD2 4.44Å; I485-F487 HydrophobicContact CG2-CE2 3.78Å; I485-F487 HydrophobicContact CG2-CZ 3.83Å; F487-I493 CarbonylContact O-C 3.54Å; F487-I493 WeakPolarHBondContact O-CA 3.08Å; F487-W494 HydrophobicContact CB-CB 4.41Å; F487-W494 HydrophobicContact CB-CE3 4.43Å; F487-W494 HydrophobicContact CD2-CB 4.45Å; F487-W494 PolarHBondContact N-O 2.83Å; F487-W494 PolarHBondContact O-N 2.86Å; F487-T496 HydrophobicContact CE2-CG2 4.22Å; F487-W657 HydrophobicContact CE1-CB 4.16Å; F487-W657 HydrophobicContact CZ-CB 4.04Å; F487-W657 HydrophobicContact CZ-CE3 4.12Å; F487-L658 HydrophobicContact CD1-CD2 3.92Å; F487-L658 HydrophobicContact CD2-CD2 4.24Å; F487-L658 HydrophobicContact CE1-CD2 3.77Å; F487-L658 HydrophobicContact CE2-CD2 4.1Å; F487-L658 HydrophobicContact CG-CD2 4.16Å; F487-L658 HydrophobicContact CZ-CD2 3.87Å
488	F	96.6	Very high	92.5	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.2	-176.2	-66.2	-101.3	0	0	0	110.4	F475 D476 G477 I481 F486 I493 V509 W513 I520 V523 F534	F475-F488 CarbonylContact C-O 3.59Å; F475-F488 WeakPolarHBondContact CA-O 3.3Å; F475-F488 WeakPolarHBondContact CB-O 3.24Å; F475-F488 WeakPolarHBondContact CD1-O 3.1Å; D476-F488 PolarHBondContact N-O 3.02Å; G477-F488 PolarHBondContact O-N 3.27Å; I481-F488 HydrophobicContact CD1-CE2 4.48Å; I481-F488 HydrophobicContact CD1-CZ 4.23Å; F486-F488 HydrophobicContact CB-CD2 4.11Å; F486-F488 HydrophobicContact CB-CE2 3.34Å; F486-F488 HydrophobicContact CB-CZ 3.86Å; F486-F488 HydrophobicContact CD1-CZ 4.39Å; F486-F488 HydrophobicContact CG-CE2 4.29Å; F486-F488 HydrophobicContact CG-CZ 4.35Å; F488-I493 HydrophobicContact CB-CG2 4.4Å; F488-I493 HydrophobicContact CD1-CG2 3.19Å; F488-I493 HydrophobicContact CD2-CG2 4.38Å; F488-I493 HydrophobicContact CE1-CG2 3.34Å; F488-I493 HydrophobicContact CG-CG2 3.75Å; F488-I493 HydrophobicContact CZ-CG2 4.01Å; F488-V509 HydrophobicContact CD1-CG2 4.12Å; F488-W513 HydrophobicContact CE1-CE3 4.13Å; F488-W513 HydrophobicContact CE1-CH2 4.46Å; F488-W513 AromaticContact CE1-CZ3 3.66Å; F488-W513 HydrophobicContact CE1-CZ3 3.66Å; F488-W513 HydrophobicContact CZ-CH2 4.08Å; F488-W513 AromaticContact CZ-CZ3 3.73Å; F488-W513 HydrophobicContact CZ-CZ3 3.73Å; F488-I520 HydrophobicContact CB-CD1 3.75Å; F488-I520 HydrophobicContact CB-CG1 4.05Å; F488-I520 HydrophobicContact CD1-CD1 3.46Å; F488-I520 VanDerWaalsContact CD1-CD1 3.46Å; F488-I520 HydrophobicContact CD1-CG1 4.24Å; F488-I520 HydrophobicContact CD2-CD1 4.02Å; F488-I520 HydrophobicContact CE1-CD1 4.04Å; F488-I520 HydrophobicContact CG-CD1 3.47Å; F488-I520 VanDerWaalsContact CG-CD1 3.47Å; F488-I520 HydrophobicContact CG-CG1 4.26Å; F488-V523 HydrophobicContact CD2-CG1 3.83Å; F488-V523 HydrophobicContact CE2-CG1 3.77Å; F488-V523 HydrophobicContact CE2-CG2 4.38Å; F488-F534 AromaticContact CE1-CE1 3.68Å; F488-F534 HydrophobicContact CE1-CE1 3.68Å; F488-F534 HydrophobicContact CE1-CZ 4.49Å; F488-F534 AromaticContact CZ-CE1 3.66Å; F488-F534 HydrophobicContact CZ-CE1 3.66Å; F488-F534 HydrophobicContact CZ-CZ 4.3Å
489	K	95.3	Very high	91.2	Very high	32 Å²	32	32.6 Å²	32.6	14%	0.139	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	119	170	-173.6	68.2	-153.9	157.8	0	111.2	P466 I473 V474 F475 D476 R491 F492 W494	P466-K489 HydrophobicContact CB-CG 4.34Å; P466-K489 HydrophobicContact CG-CB 4.38Å; P466-K489 HydrophobicContact CG-CG 3.79Å; I473-K489 HydrophobicContact CG2-CB 4.4Å; I473-K489 HydrophobicContact CG2-CD 3.71Å; I473-K489 HydrophobicContact CG2-CG 3.88Å; V474-K489 WeakPolarHBondContact O-CD 3.25Å; V474-K489 WeakPolarHBondContact O-CE 3.38Å; V474-K489 PolarHBondContact O-NZ 3.5Å; F475-K489 HydrophobicContact CD1-CB 4.14Å; D476-K489 IonicContact OD1-NZ 2.73Å; D476-K489 PolarHBondContact OD1-NZ 3.33Å; D476-K489 VanDerWaalsContact OD2-CA 3.28Å; D476-K489 WeakPolarHBondContact OD2-CA 3.33Å; D476-K489 IonicContact OD2-NZ 3.18Å; D476-K489 PolarHBondContact OD2-NZ 3.18Å; K489-R491 PolarHBondContact O-N 3.32Å; K489-F492 PolarHBondContact N-O 2.79Å; K489-F492 WeakPolarHBondContact O-CA 3.4Å; K489-F492 WeakPolarHBondContact O-CB 3.39Å; K489-F492 PolarHBondContact O-N 2.95Å; K489-W494 HydrophobicContact CB-CH2 4.11Å; K489-W494 HydrophobicContact CB-CZ3 3.64Å
490	D	92.7	Very high	90.3	Very high	65 Å²	65	40.5 Å²	40.5	35%	0.348	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	-125.2	-176	-52	-50.3	0	0	0	108.4	D476 F492 E518	D476-D490 PolarHBondContact OD2-N 3.46Å; D490-F492 PolarHBondContact O-N 2.76Å; D490-E518 CarbonylContact C-O 3.59Å; D490-E518 WeakPolarHBondContact CA-O 3.32Å
491	R	93.3	Very high	89.8	Confident	27 Å²	27	42.9 Å²	42.9	10%	0.102	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	3.8	-178.4	-54.4	-170	-56.4	175	6.4	114.1	R432 K489 L508 V509 E518	R432-R491 PolarHBondContact O-NH1 3.2Å; R432-R491 VanDerWaalsContact O-NH1 3.15Å; K489-R491 PolarHBondContact O-N 3.32Å; R491-L508 HydrophobicContact CB-CD2 4.05Å; R491-L508 CarbonylContact O-C 3.6Å; R491-L508 WeakPolarHBondContact O-CA 3.29Å; R491-L508 WeakPolarHBondContact O-CD2 3.25Å; R491-V509 PolarHBondContact O-N 2.99Å; R491-E518 HydrophobicContact CG-CB 3.79Å; R491-E518 HydrophobicContact CG-CG 4Å; R491-E518 PolarHBondContact N-O 3.04Å; R491-E518 VanDerWaalsContact N-O 3.08Å
492	F	95.1	Very high	89.5	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.009	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	155.1	-168.5	-56.8	-82.9	0	0	0	114	T465 P466 K489 D490 W494 P506 L507 L508	T465-F492 HydrophobicContact CG2-CD1 4.21Å; T465-F492 HydrophobicContact CG2-CE1 3.81Å; T465-F492 HydrophobicContact CG2-CE2 4.29Å; T465-F492 HydrophobicContact CG2-CZ 3.85Å; T465-F492 WeakPolarHBondContact OG1-CZ 3.31Å; P466-F492 HydrophobicContact CG-CD2 4.2Å; K489-F492 PolarHBondContact N-O 2.79Å; K489-F492 WeakPolarHBondContact O-CA 3.4Å; K489-F492 WeakPolarHBondContact O-CB 3.39Å; K489-F492 PolarHBondContact O-N 2.95Å; D490-F492 PolarHBondContact O-N 2.76Å; F492-W494 HydrophobicContact CB-CH2 3.99Å; F492-W494 HydrophobicContact CB-CZ3 4.23Å; F492-P506 HydrophobicContact CB-CB 4.15Å; F492-P506 HydrophobicContact CD1-CB 3.89Å; F492-P506 HydrophobicContact CG-CB 4.26Å; F492-L507 CarbonylContact C-O 3.49Å; F492-L507 WeakPolarHBondContact CA-O 3.5Å; F492-L508 HydrophobicContact CD1-CD2 4.05Å; F492-L508 HydrophobicContact CE1-CD2 3.73Å; F492-L508 HydrophobicContact CE1-CG 4.37Å; F492-L508 HydrophobicContact CZ-CD2 4.25Å
493	I	95.1	Very high	89.6	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.2	170.5	54.8	177.2	0	0	0	112	F486 F487 F488 P506 L507 V509 F512 W513	F486-I493 HydrophobicContact CD1-CB 4.49Å; F486-I493 HydrophobicContact CD1-CD1 3.92Å; F486-I493 HydrophobicContact CE1-CD1 3.9Å; F487-I493 CarbonylContact O-C 3.54Å; F487-I493 WeakPolarHBondContact O-CA 3.08Å; F488-I493 HydrophobicContact CB-CG2 4.4Å; F488-I493 HydrophobicContact CD1-CG2 3.19Å; F488-I493 HydrophobicContact CD2-CG2 4.38Å; F488-I493 HydrophobicContact CE1-CG2 3.34Å; F488-I493 HydrophobicContact CG-CG2 3.75Å; F488-I493 HydrophobicContact CZ-CG2 4.01Å; I493-P506 WeakPolarHBondContact O-CA 3.4Å; I493-L507 HydrophobicContact CG1-CB 4.01Å; I493-L507 WeakPolarHBondContact CG1-O 3.4Å; I493-L507 PolarHBondContact N-O 2.97Å; I493-L507 PolarHBondContact O-N 2.84Å; I493-V509 HydrophobicContact CG2-CG2 3.65Å; I493-F512 HydrophobicContact CD1-CD2 3.58Å; I493-F512 HydrophobicContact CD1-CE2 3.68Å; I493-W513 HydrophobicContact CD1-CZ3 4.07Å
494	W	94.4	Very high	89.7	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.7	159.9	-60.6	-98.1	0	0	0	108.6	P466 I468 F475 F486 F487 K489 F492 P503 M504 G505 P506	P466-W494 HydrophobicContact CB-CH2 3.81Å; P466-W494 HydrophobicContact CB-CZ2 4.27Å; P466-W494 HydrophobicContact CG-CH2 4.04Å; P466-W494 VanDerWaalsContact O-CZ2 3.31Å; P466-W494 WeakPolarHBondContact O-CZ2 3.22Å; I468-W494 VanDerWaalsContact CD1-CD1 3.48Å; I468-W494 HydrophobicContact CD1-CG 4.1Å; I468-W494 HydrophobicContact CG2-CD2 3.76Å; I468-W494 HydrophobicContact CG2-CE3 4.24Å; I468-W494 HydrophobicContact CG2-CG 4.21Å; I468-W494 HydrophobicContact CG2-CH2 4.41Å; I468-W494 HydrophobicContact CG2-CZ2 3.88Å; F475-W494 AromaticContact CE1-CE3 3.85Å; F475-W494 HydrophobicContact CE1-CE3 3.85Å; F475-W494 AromaticContact CE1-CZ3 3.95Å; F475-W494 HydrophobicContact CE1-CZ3 3.95Å; F486-W494 CarbonylContact C-O 3.59Å; F486-W494 WeakPolarHBondContact CA-O 3.31Å; F487-W494 HydrophobicContact CB-CB 4.41Å; F487-W494 HydrophobicContact CB-CE3 4.43Å; F487-W494 HydrophobicContact CD2-CB 4.45Å; F487-W494 PolarHBondContact N-O 2.83Å; F487-W494 PolarHBondContact O-N 2.86Å; K489-W494 HydrophobicContact CB-CH2 4.11Å; K489-W494 HydrophobicContact CB-CZ3 3.64Å; F492-W494 HydrophobicContact CB-CH2 3.99Å; F492-W494 HydrophobicContact CB-CZ3 4.23Å; W494-P503 HydrophobicContact CB-CB 3.96Å; W494-P503 HydrophobicContact CB-CG 4.01Å; W494-M504 CarbonylContact C-O 3.58Å; W494-M504 VanDerWaalsContact CA-O 3.29Å; W494-M504 WeakPolarHBondContact CA-O 3.31Å; W494-G505 VanDerWaalsContact CD1-C 3.48Å; W494-P506 HydrophobicContact CH2-CB 4.37Å; W494-P506 HydrophobicContact CZ2-CB 3.61Å; W494-P506 HydrophobicContact CZ2-CG 4.23Å
495	R	92.8	Very high	89.5	Confident	44 Å²	44	43.7 Å²	43.7	17%	0.166	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.7	179.4	71.6	-171.5	-171.4	140.5	-4.3	113.2	E484 I485 F486 M504	E484-R495 IonicContact OE1-CZ 2.75Å; E484-R495 IonicContact OE1-NH1 3.38Å; E484-R495 PolarHBondContact OE1-NH1 2.99Å; E484-R495 VanDerWaalsContact OE2-CD 3.25Å; E484-R495 WeakPolarHBondContact OE2-CD 3.46Å; E484-R495 IonicContact OE2-CZ 2.91Å; E484-R495 IonicContact OE2-NE 3.78Å; E484-R495 IonicContact OE2-NH1 3.76Å; E484-R495 PolarHBondContact OE2-NH1 3.15Å; I485-R495 CarbonylContact O-C 2.96Å; I485-R495 WeakPolarHBondContact O-CA 3.13Å; F486-R495 HydrophobicContact CD1-CB 3.86Å; F486-R495 HydrophobicContact CE1-CB 3.83Å; F486-R495 HydrophobicContact CE1-CG 4.4Å; F486-R495 HydrophobicContact CG-CB 4.27Å; F486-R495 HydrophobicContact CZ-CB 4.19Å; R495-M504 HydrophobicContact CG-CE 3.9Å; R495-M504 PolarHBondContact N-O 2.87Å; R495-M504 PolarHBondContact O-N 2.88Å
496	T	91.3	Very high	89.5	Confident	13 Å²	13	44.9 Å²	44.9	8%	0.08	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	147.6	174.9	-174.3	0	0	0	0	111.2	I485 F487 T498 P503	I485-T496 HydrophobicContact CB-CG2 4.23Å; I485-T496 PolarHBondContact N-O 3.22Å; I485-T496 PolarHBondContact O-N 3.13Å; F487-T496 HydrophobicContact CE2-CG2 4.22Å; T496-T498 WeakPolarHBondContact CG2-O 3.38Å; T496-T498 PolarHBondContact OG1-N 2.71Å; T496-T498 PolarHBondContact OG1-O 3.36Å; T496-P503 HydrophobicContact CG2-CB 4.33Å
497	V	87	Confident	89.3	Confident	100 Å²	100	46.2 Å²	46.2	61%	0.606	24%	0.238	S	C	*	.	S	Bend	trans	-82.1	-38.6	171.8	-174.9	0	0	0	0	110.3	E484	E484-V497 HydrophobicContact CG-CG2 3.95Å
498	T	81.6	Confident	89.1	Confident	72 Å²	72	47 Å²	47	44%	0.442	24%	0.242	S	C	.	.	S	Bend	trans	-105.1	125.6	-177.4	-22.4	0	0	0	0	110.7	T496 R500 D501	T496-T498 WeakPolarHBondContact CG2-O 3.38Å; T496-T498 PolarHBondContact OG1-N 2.71Å; T496-T498 PolarHBondContact OG1-O 3.36Å; T498-R500 PolarHBondContact O-N 3.22Å; T498-D501 WeakPolarHBondContact CB-OD2 3.24Å; T498-D501 PolarHBondContact O-N 3.1Å; T498-D501 PolarHBondContact OG1-OD2 3.3Å
499	P	71	Confident	89	Confident	51 Å²	51	47.5 Å²	47.5	33%	0.331	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	131.8	167	-13.8	24.2	0	0	0	109.8	I485 L623	I485-P499 HydrophobicContact CD1-CB 4.29Å; I485-P499 HydrophobicContact CD1-CG 3.71Å; P499-L623 HydrophobicContact CG-CD1 3.91Å
500	R	75.4	Confident	88.8	Confident	169 Å²	169	46.9 Å²	46.9	64%	0.638	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.9	-19.7	-179	-58.3	171	176.4	-164.1	-1	116.9	T498 D656 G659	T498-R500 PolarHBondContact O-N 3.22Å; R500-D656 WeakPolarHBondContact CG-O 3.37Å; R500-G659 WeakPolarHBondContact O-CA 3.36Å
501	D	81.5	Confident	88.6	Confident	87 Å²	87	46.2 Å²	46.2	47%	0.465	25%	0.245	S	C	.	.	S	Bend	trans	-71.1	148.5	170.1	-68	-25.9	0	0	0	109.1	T498 P503	T498-D501 WeakPolarHBondContact CB-OD2 3.24Å; T498-D501 PolarHBondContact O-N 3.1Å; T498-D501 PolarHBondContact OG1-OD2 3.3Å; D501-P503 WeakPolarHBondContact O-CD 3.32Å; D501-P503 VanDerWaalsContact O-N 3.15Å
502	K	85.4	Confident	88.4	Confident	154 Å²	154	47.1 Å²	47.1	67%	0.67	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-61	120.4	174.5	-174.1	-179.9	179.3	-175.1	0	108.3
503	P	89.9	Confident	88.4	Confident	7 Å²	7	47.5 Å²	47.5	5%	0.045	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-72.6	149.8	-173.9	32.2	-36.8	0	0	0	110.5	I468 W494 T496 D501 L658	I468-P503 HydrophobicContact CD1-CG 3.56Å; W494-P503 HydrophobicContact CB-CB 3.96Å; W494-P503 HydrophobicContact CB-CG 4.01Å; T496-P503 HydrophobicContact CG2-CB 4.33Å; D501-P503 WeakPolarHBondContact O-CD 3.32Å; D501-P503 VanDerWaalsContact O-N 3.15Å; P503-L658 WeakPolarHBondContact CD-O 3.04Å; P503-L658 HydrophobicContact CG-CD2 4.17Å
504	M	88.4	Confident	88.1	Confident	48 Å²	48	49 Å²	49	24%	0.236	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.5	177.1	-170.5	-163.5	70.8	0	0	109.7	W494 R495 L507	W494-M504 CarbonylContact C-O 3.58Å; W494-M504 VanDerWaalsContact CA-O 3.29Å; W494-M504 WeakPolarHBondContact CA-O 3.31Å; R495-M504 HydrophobicContact CG-CE 3.9Å; R495-M504 PolarHBondContact N-O 2.87Å; R495-M504 PolarHBondContact O-N 2.88Å; M504-L507 HydrophobicContact CE-CD1 3.52Å; M504-L507 HydrophobicContact CE-CG 4.47Å
505	G	88.1	Confident	88	Confident	33 Å²	33	52.1 Å²	52.1	34%	0.34	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	141.7	-173.8	179.8	0	0	0	0	0	112.4	W494	W494-G505 VanDerWaalsContact CD1-C 3.48Å
506	P	92.4	Very high	88	Confident	27 Å²	27	50.6 Å²	50.6	18%	0.175	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-70.3	148.1	6	23	-26.9	0	0	0	113.3	P417 T465 F492 I493 W494	P417-P506 HydrophobicContact CG-CG 4.17Å; P417-P506 WeakPolarHBondContact CG-O 3.3Å; T465-P506 HydrophobicContact CG2-CB 4.14Å; T465-P506 HydrophobicContact CG2-CG 3.5Å; F492-P506 HydrophobicContact CB-CB 4.15Å; F492-P506 HydrophobicContact CD1-CB 3.89Å; F492-P506 HydrophobicContact CG-CB 4.26Å; I493-P506 WeakPolarHBondContact O-CA 3.4Å; W494-P506 HydrophobicContact CH2-CB 4.37Å; W494-P506 HydrophobicContact CZ2-CB 3.61Å; W494-P506 HydrophobicContact CZ2-CG 4.23Å
507	L	91.5	Very high	88.1	Confident	36 Å²	36	52 Å²	52	19%	0.188	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.3	166.4	-66	174.9	0	0	0	108.8	F492 I493 M504 F512	F492-L507 CarbonylContact C-O 3.49Å; F492-L507 WeakPolarHBondContact CA-O 3.5Å; I493-L507 HydrophobicContact CG1-CB 4.01Å; I493-L507 WeakPolarHBondContact CG1-O 3.4Å; I493-L507 PolarHBondContact N-O 2.97Å; I493-L507 PolarHBondContact O-N 2.84Å; M504-L507 HydrophobicContact CE-CD1 3.52Å; M504-L507 HydrophobicContact CE-CG 4.47Å; L507-F512 HydrophobicContact CD1-CE2 4.13Å; L507-F512 HydrophobicContact CD1-CZ 4.38Å
508	L	92.4	Very high	88	Confident	18 Å²	18	50.3 Å²	50.3	9%	0.094	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	135.7	172.3	-76.8	172.4	0	0	0	110.7	P417 T426 T428 R491 F492 A510 T511	P417-L508 WeakPolarHBondContact O-CD1 3.44Å; T426-L508 HydrophobicContact CG2-CB 4.11Å; T426-L508 HydrophobicContact CG2-CD1 3.81Å; T428-L508 HydrophobicContact CG2-CD1 4.35Å; R491-L508 HydrophobicContact CB-CD2 4.05Å; R491-L508 CarbonylContact O-C 3.6Å; R491-L508 WeakPolarHBondContact O-CA 3.29Å; R491-L508 WeakPolarHBondContact O-CD2 3.25Å; F492-L508 HydrophobicContact CD1-CD2 4.05Å; F492-L508 HydrophobicContact CE1-CD2 3.73Å; F492-L508 HydrophobicContact CE1-CG 4.37Å; F492-L508 HydrophobicContact CZ-CD2 4.25Å; L508-A510 PolarHBondContact O-N 2.8Å; L508-T511 VanDerWaalsContact O-CB 3.29Å; L508-T511 WeakPolarHBondContact O-CB 3.42Å; L508-T511 PolarHBondContact O-N 3.33Å; L508-T511 VanDerWaalsContact O-N 3.16Å; L508-T511 PolarHBondContact O-OG1 3.25Å
509	V	93.4	Very high	88.5	Confident	10 Å²	10	50.7 Å²	50.7	6%	0.061	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-54.7	-41.2	172.6	170.8	0	0	0	0	110.3	F488 R491 I493 T511 F512 W513 L516	F488-V509 HydrophobicContact CD1-CG2 4.12Å; R491-V509 PolarHBondContact O-N 2.99Å; I493-V509 HydrophobicContact CG2-CG2 3.65Å; V509-T511 PolarHBondContact O-N 3.3Å; V509-T511 VanDerWaalsContact O-N 3.12Å; V509-F512 PolarHBondContact O-N 3.15Å; V509-W513 HydrophobicContact CG1-CB 4.44Å; V509-W513 HydrophobicContact CG1-CE3 4.17Å; V509-W513 PolarHBondContact O-N 3.23Å; V509-L516 HydrophobicContact CG1-CB 4.26Å; V509-L516 HydrophobicContact CG1-CD1 3.86Å
510	A	91.8	Very high	89.7	Confident	20 Å²	20	48.5 Å²	48.5	17%	0.165	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-63	-18.2	-177.1	0	0	0	0	0	114	T426 Y427 T428 L508 F512	T426-A510 HydrophobicContact CG2-CB 4.44Å; Y427-A510 WeakPolarHBondContact O-CB 2.97Å; T428-A510 HydrophobicContact CG2-CB 3.91Å; L508-A510 PolarHBondContact O-N 2.8Å; A510-F512 PolarHBondContact O-N 3.17Å
511	T	89.2	Confident	90.8	Very high	51 Å²	51	41.1 Å²	41.1	31%	0.313	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-59.8	-28.9	171.7	-55.9	0	0	0	0	112.2	T426 L508 V509	T426-T511 WeakPolarHBondContact CG2-OG1 3.27Å; L508-T511 VanDerWaalsContact O-CB 3.29Å; L508-T511 WeakPolarHBondContact O-CB 3.42Å; L508-T511 PolarHBondContact O-N 3.33Å; L508-T511 VanDerWaalsContact O-N 3.16Å; L508-T511 PolarHBondContact O-OG1 3.25Å; V509-T511 PolarHBondContact O-N 3.3Å; V509-T511 VanDerWaalsContact O-N 3.12Å
512	F	89.7	Confident	91.5	Very high	45 Å²	45	37 Å²	37	20%	0.197	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-33	179.5	-58.4	-83.6	0	0	0	112.7	I493 L507 V509 A510	I493-F512 HydrophobicContact CD1-CD2 3.58Å; I493-F512 HydrophobicContact CD1-CE2 3.68Å; L507-F512 HydrophobicContact CD1-CE2 4.13Å; L507-F512 HydrophobicContact CD1-CZ 4.38Å; V509-F512 PolarHBondContact O-N 3.15Å; A510-F512 PolarHBondContact O-N 3.17Å
513	W	93.2	Very high	92.1	Very high	10 Å²	10	29.9 Å²	29.9	4%	0.038	17%	0.167	C	C	.	.			trans	-138.3	74.5	-171.7	-55.5	-64.2	0	0	0	110.8	I481 F486 F488 I493 V509 E515 L516 F534 Y543	I481-W513 HydrophobicContact CD1-CH2 4.05Å; I481-W513 HydrophobicContact CD1-CZ2 4.2Å; F486-W513 HydrophobicContact CD1-CH2 4.18Å; F486-W513 HydrophobicContact CD1-CZ3 4.46Å; F486-W513 AromaticContact CE1-CH2 3.98Å; F486-W513 HydrophobicContact CE1-CH2 3.98Å; F486-W513 HydrophobicContact CE1-CZ3 4.44Å; F486-W513 HydrophobicContact CZ-CH2 4.35Å; F488-W513 HydrophobicContact CE1-CE3 4.13Å; F488-W513 HydrophobicContact CE1-CH2 4.46Å; F488-W513 AromaticContact CE1-CZ3 3.66Å; F488-W513 HydrophobicContact CE1-CZ3 3.66Å; F488-W513 HydrophobicContact CZ-CH2 4.08Å; F488-W513 AromaticContact CZ-CZ3 3.73Å; F488-W513 HydrophobicContact CZ-CZ3 3.73Å; I493-W513 HydrophobicContact CD1-CZ3 4.07Å; V509-W513 HydrophobicContact CG1-CB 4.44Å; V509-W513 HydrophobicContact CG1-CE3 4.17Å; V509-W513 PolarHBondContact O-N 3.23Å; W513-E515 VanDerWaalsContact C-N 3.3Å; W513-E515 PolarHBondContact O-N 3.24Å; W513-L516 HydrophobicContact CB-CB 4.41Å; W513-L516 HydrophobicContact CB-CD1 3.43Å; W513-L516 VanDerWaalsContact CB-CD1 3.43Å; W513-L516 HydrophobicContact CB-CG 3.74Å; W513-L516 HydrophobicContact CD2-CD1 4.35Å; W513-L516 HydrophobicContact CE3-CD1 4.48Å; W513-L516 HydrophobicContact CG-CD1 3.95Å; W513-L516 WeakPolarHBondContact O-CB 3.5Å; W513-L516 PolarHBondContact O-N 3.26Å; W513-F534 HydrophobicContact CD2-CE1 4.38Å; W513-F534 HydrophobicContact CD2-CE2 4.05Å; W513-F534 AromaticContact CD2-CZ 3.57Å; W513-F534 HydrophobicContact CD2-CZ 3.57Å; W513-F534 AromaticContact CE2-CE2 3.86Å; W513-F534 AromaticContact CE2-CZ 3.5Å; W513-F534 VanDerWaalsContact CE2-CZ 3.5Å; W513-F534 HydrophobicContact CE3-CE1 4.31Å; W513-F534 AromaticContact CE3-CZ 3.88Å; W513-F534 HydrophobicContact CE3-CZ 3.88Å; W513-F534 HydrophobicContact CG-CE2 4.16Å; W513-F534 HydrophobicContact CG-CZ 4.13Å; W513-F534 HydrophobicContact CH2-CZ 4.03Å; W513-F534 HydrophobicContact CZ2-CE2 4.39Å; W513-F534 AromaticContact CZ2-CZ 3.74Å; W513-F534 HydrophobicContact CZ2-CZ 3.74Å; W513-F534 HydrophobicContact CZ3-CE1 4.48Å; W513-F534 HydrophobicContact CZ3-CZ 4.1Å; W513-F534 AromaticContact NE1-CE2 3.84Å; W513-F534 AromaticContact NE1-CZ 3.98Å; W513-Y543 HydrophobicContact CB-CE1 4.3Å; W513-Y543 HydrophobicContact CB-CE2 4.23Å; W513-Y543 AromaticContact CD1-CD1 3.42Å; W513-Y543 VanDerWaalsContact CD1-CD1 3.42Å; W513-Y543 AromaticContact CD1-CD2 3.71Å; W513-Y543 AromaticContact CD1-CE1 3.66Å; W513-Y543 AromaticContact CD1-CE2 3.92Å; W513-Y543 AromaticContact CD1-CG 3.44Å; W513-Y543 VanDerWaalsContact CD1-CG 3.44Å; W513-Y543 AromaticContact CD1-CZ 3.9Å; W513-Y543 HydrophobicContact CG-CD1 4.5Å; W513-Y543 HydrophobicContact CG-CD2 4.45Å; W513-Y543 HydrophobicContact CG-CE1 4.4Å; W513-Y543 HydrophobicContact CG-CE2 4.34Å; W513-Y543 AromaticContact NE1-CG 3.9Å
514	P	90.5	Very high	92.4	Very high	32 Å²	32	29.9 Å²	29.9	21%	0.208	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-22.6	-170.9	25.7	-33.5	0	0	0	114.8	Y427 L516	Y427-P514 HydrophobicContact CD1-CB 3.69Å; Y427-P514 HydrophobicContact CD1-CG 4.46Å; Y427-P514 HydrophobicContact CE1-CB 4.18Å; P514-L516 VanDerWaalsContact C-N 3.32Å
515	E	90.9	Very high	92.6	Very high	68 Å²	68	29.1 Å²	29.1	32%	0.318	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-5.5	178.2	-48.5	88.2	156.8	0	0	113.4	W513 W541 Y543 L548	W513-E515 VanDerWaalsContact C-N 3.3Å; W513-E515 PolarHBondContact O-N 3.24Å; E515-W541 PolarHBondContact O-NE1 3.35Å; E515-Y543 WeakPolarHBondContact CB-OH 2.94Å; E515-Y543 WeakPolarHBondContact OE2-CE1 3.03Å; E515-Y543 PolarHBondContact OE2-OH 2.69Å; E515-L548 HydrophobicContact CB-CD2 4.07Å; E515-L548 HydrophobicContact CG-CD2 4.02Å
516	L	93.3	Very high	92.7	Very high	12 Å²	12	27.8 Å²	27.8	6%	0.063	15%	0.147	C	C	.	.	S	Bend	trans	-69.7	145.7	172.7	-71.9	-179.5	0	0	0	110.9	V509 W513 P514 I520 F534 W541 Y543	V509-L516 HydrophobicContact CG1-CB 4.26Å; V509-L516 HydrophobicContact CG1-CD1 3.86Å; W513-L516 HydrophobicContact CB-CB 4.41Å; W513-L516 HydrophobicContact CB-CD1 3.43Å; W513-L516 VanDerWaalsContact CB-CD1 3.43Å; W513-L516 HydrophobicContact CB-CG 3.74Å; W513-L516 HydrophobicContact CD2-CD1 4.35Å; W513-L516 HydrophobicContact CE3-CD1 4.48Å; W513-L516 HydrophobicContact CG-CD1 3.95Å; W513-L516 WeakPolarHBondContact O-CB 3.5Å; W513-L516 PolarHBondContact O-N 3.26Å; P514-L516 VanDerWaalsContact C-N 3.32Å; L516-I520 HydrophobicContact CD1-CG2 4.18Å; L516-I520 HydrophobicContact CD2-CG2 4.47Å; L516-F534 HydrophobicContact CD1-CB 4.34Å; L516-F534 HydrophobicContact CD1-CD1 3.61Å; L516-F534 HydrophobicContact CD1-CD2 4.04Å; L516-F534 HydrophobicContact CD1-CE1 3.8Å; L516-F534 HydrophobicContact CD1-CE2 4.21Å; L516-F534 HydrophobicContact CD1-CG 3.73Å; L516-F534 HydrophobicContact CD1-CZ 4.1Å; L516-F534 HydrophobicContact CD2-CB 3.64Å; L516-F534 HydrophobicContact CD2-CD1 4.45Å; L516-F534 HydrophobicContact CD2-CD2 4.23Å; L516-F534 HydrophobicContact CD2-CG 3.87Å; L516-F534 HydrophobicContact CG-CG 4.47Å; L516-W541 HydrophobicContact CD2-CB 3.92Å; L516-W541 HydrophobicContact CD2-CD2 3.79Å; L516-W541 HydrophobicContact CD2-CE3 4.12Å; L516-W541 HydrophobicContact CD2-CG 3.7Å; L516-Y543 HydrophobicContact CD2-CE2 4.11Å; L516-Y543 HydrophobicContact CG-CE2 4.13Å
517	P	92.4	Very high	92.1	Very high	41 Å²	41	29.2 Å²	29.2	27%	0.266	16%	0.157	S	C	.	.			trans	-66.3	168.3	172.3	27.8	-32.9	0	0	0	111.5	K519 A536 W541	P517-K519 PolarHBondContact O-N 2.02Å; P517-A536 HydrophobicContact CG-CB 3.39Å; P517-W541 HydrophobicContact CG-CH2 4.13Å; P517-W541 HydrophobicContact CG-CZ2 4.5Å
518	E	86.3	Confident	91.5	Very high	66 Å²	66	32.6 Å²	32.6	31%	0.308	17%	0.171	S	C	.	.	S	Bend	trans	-57.7	-20.5	-179.8	-68.3	-171.2	178.6	0	0	114.1	R432 D490 R491	R432-E518 WeakPolarHBondContact CD-OE1 2.93Å; R432-E518 IonicContact NH1-OE2 3.35Å; D490-E518 CarbonylContact C-O 3.59Å; D490-E518 WeakPolarHBondContact CA-O 3.32Å; R491-E518 HydrophobicContact CG-CB 3.79Å; R491-E518 HydrophobicContact CG-CG 4Å; R491-E518 PolarHBondContact N-O 3.04Å; R491-E518 VanDerWaalsContact N-O 3.08Å
519	K	91.9	Very high	91	Very high	80 Å²	80	35.4 Å²	35.4	35%	0.348	18%	0.184	S	C	.	.			trans	-143.8	131.9	177.6	169.9	170.7	164.3	146	0	109.3	D476 P517	D476-K519 HydrophobicContact CB-CG 4.31Å; D476-K519 VanDerWaalsContact OD1-CE 3.23Å; D476-K519 WeakPolarHBondContact OD1-CE 3.29Å; D476-K519 IonicContact OD1-NZ 2.76Å; D476-K519 PolarHBondContact OD1-NZ 2.01Å; P517-K519 PolarHBondContact O-N 2.02Å
520	I	96.3	Very high	90.8	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	21%	0.208	C	C	.	.			trans	-95.4	166.4	168.6	65.8	167.1	0	0	0	110.3	D476 F488 L516 V523 F534	D476-I520 WeakPolarHBondContact CB-O 3.37Å; F488-I520 HydrophobicContact CB-CD1 3.75Å; F488-I520 HydrophobicContact CB-CG1 4.05Å; F488-I520 HydrophobicContact CD1-CD1 3.46Å; F488-I520 VanDerWaalsContact CD1-CD1 3.46Å; F488-I520 HydrophobicContact CD1-CG1 4.24Å; F488-I520 HydrophobicContact CD2-CD1 4.02Å; F488-I520 HydrophobicContact CE1-CD1 4.04Å; F488-I520 HydrophobicContact CG-CD1 3.47Å; F488-I520 VanDerWaalsContact CG-CD1 3.47Å; F488-I520 HydrophobicContact CG-CG1 4.26Å; L516-I520 HydrophobicContact CD1-CG2 4.18Å; L516-I520 HydrophobicContact CD2-CG2 4.47Å; I520-V523 HydrophobicContact CD1-CB 4.01Å; I520-V523 HydrophobicContact CD1-CG1 3.89Å; I520-F534 HydrophobicContact CD1-CD1 3.9Å; I520-F534 HydrophobicContact CD1-CE1 4.32Å; I520-F534 HydrophobicContact CG2-CD1 4.28Å
521	D	97.5	Very high	90.9	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.07	21%	0.208	C	C	.	.	S	Bend	trans	-116.6	-27.8	177.9	-61.3	-51.4	0	0	0	113.4	D476 F535 A536 G537 R567 V568	D476-D521 CarbonylContact O-C 3.6Å; D476-D521 VanDerWaalsContact O-C 3.29Å; D521-F535 PolarHBondContact N-O 2.93Å; D521-A536 WeakPolarHBondContact OD2-CA 3.5Å; D521-G537 PolarHBondContact OD2-N 2.97Å; D521-R567 HydrophobicContact CB-CG 4.24Å; D521-R567 IonicContact OD1-CZ 3.23Å; D521-R567 IonicContact OD1-NE 4Å; D521-R567 PolarHBondContact OD1-NE 3.39Å; D521-R567 IonicContact OD1-NH2 2.78Å; D521-R567 PolarHBondContact OD1-NH2 3Å; D521-R567 WeakPolarHBondContact OD2-CG 3.19Å; D521-R567 IonicContact OD2-NE 2.87Å; D521-R567 PolarHBondContact OD2-NE 2.88Å; D521-V568 WeakPolarHBondContact CB-O 3.47Å
522	A	97.8	Very high	91.2	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.017	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	157.5	173	0	0	0	0	0	110.7	F535 V568 A571	A522-F535 HydrophobicContact CB-CB 4.12Å; A522-F535 HydrophobicContact CB-CD2 3.99Å; A522-F535 HydrophobicContact CB-CG 4.38Å; A522-F535 PolarHBondContact N-O 2.88Å; A522-F535 PolarHBondContact O-N 2.78Å; A522-V568 HydrophobicContact CB-CG1 3.76Å; A522-A571 HydrophobicContact CB-CB 4.08Å
523	V	97.4	Very high	91.5	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	143.9	178.6	50	0	0	0	0	110.3	A479 I481 F488 I520 V533 F534	A479-V523 HydrophobicContact CB-CB 4.33Å; A479-V523 HydrophobicContact CB-CG1 3.72Å; A479-V523 HydrophobicContact CB-CG2 4Å; I481-V523 HydrophobicContact CD1-CG2 4.01Å; F488-V523 HydrophobicContact CD2-CG1 3.83Å; F488-V523 HydrophobicContact CE2-CG1 3.77Å; F488-V523 HydrophobicContact CE2-CG2 4.38Å; I520-V523 HydrophobicContact CD1-CB 4.01Å; I520-V523 HydrophobicContact CD1-CG1 3.89Å; V523-V533 VanDerWaalsContact CA-O 3.29Å; V523-V533 WeakPolarHBondContact CA-O 3.34Å; V523-F534 HydrophobicContact CB-CD1 3.88Å; V523-F534 HydrophobicContact CB-CE1 4.11Å; V523-F534 HydrophobicContact CG2-CD1 3.64Å; V523-F534 HydrophobicContact CG2-CE1 3.49Å; V523-F534 VanDerWaalsContact CG2-CE1 3.49Å; V523-F534 HydrophobicContact CG2-CG 4.33Å; V523-F534 HydrophobicContact CG2-CZ 4.06Å
524	Y	95.6	Very high	91.7	Very high	6 Å²	6	36.8 Å²	36.8	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.1	168.1	76.4	-79.8	0	0	0	111.5	A526 V533 F535 A571 N573 T580 E593	Y524-A526 HydrophobicContact CE2-CB 4.09Å; Y524-V533 HydrophobicContact CD1-CB 3.84Å; Y524-V533 HydrophobicContact CD1-CG1 4.26Å; Y524-V533 HydrophobicContact CE1-CB 3.41Å; Y524-V533 VanDerWaalsContact CE1-CB 3.41Å; Y524-V533 HydrophobicContact CE1-CG1 3.53Å; Y524-V533 HydrophobicContact CE1-CG2 3.96Å; Y524-V533 HydrophobicContact CE2-CB 4.45Å; Y524-V533 HydrophobicContact CE2-CG2 4.23Å; Y524-V533 PolarHBondContact N-O 2.89Å; Y524-V533 PolarHBondContact O-N 2.96Å; Y524-F535 AromaticContact CD1-CE2 3.78Å; Y524-F535 HydrophobicContact CD1-CE2 3.78Å; Y524-F535 AromaticContact CE1-CE2 3.61Å; Y524-F535 HydrophobicContact CE1-CE2 3.61Å; Y524-F535 AromaticContact CE1-CZ 3.98Å; Y524-F535 HydrophobicContact CE1-CZ 3.98Å; Y524-A571 HydrophobicContact CD1-CB 3.84Å; Y524-N573 HydrophobicContact CD2-CB 4.25Å; Y524-T580 HydrophobicContact CD1-CG2 4.19Å; Y524-T580 HydrophobicContact CD2-CG2 3.98Å; Y524-T580 HydrophobicContact CE1-CG2 3.77Å; Y524-T580 HydrophobicContact CE2-CG2 3.56Å; Y524-T580 WeakPolarHBondContact CE2-OG1 3.39Å; Y524-T580 HydrophobicContact CG-CG2 4.29Å; Y524-T580 VanDerWaalsContact CZ-CG2 3.44Å; Y524-E593 WeakPolarHBondContact CE2-OE1 3.49Å; Y524-E593 PolarHBondContact OH-OE1 3.2Å
525	E	93	Very high	92.1	Very high	32 Å²	32	35.3 Å²	35.3	15%	0.15	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.5	168.4	-175.7	174.8	-112.8	0	0	110.4	Q480 R482 P527 K531	Q480-E525 WeakPolarHBondContact O-CB 3.39Å; R482-E525 WeakPolarHBondContact CG-OE1 3.36Å; R482-E525 PolarHBondContact N-OE1 3.39Å; R482-E525 PolarHBondContact N-OE2 3.31Å; E525-P527 WeakPolarHBondContact O-CD 3.46Å; E525-K531 CarbonylContact C-O 3.6Å; E525-K531 WeakPolarHBondContact CA-O 3.25Å
526	A	89.8	Confident	92.4	Very high	5 Å²	5	32.4 Å²	32.4	4%	0.041	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	103.8	171.6	0	0	0	0	0	109.3	Y524 Q528 E529 E530 K531	Y524-A526 HydrophobicContact CE2-CB 4.09Å; A526-Q528 PolarHBondContact O-N 3.23Å; A526-E529 PolarHBondContact O-N 3.13Å; A526-E530 PolarHBondContact O-N 2.93Å; A526-K531 PolarHBondContact N-O 3.01Å
527	P	79.8	Confident	92.5	Very high	58 Å²	58	33.3 Å²	33.3	38%	0.377	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.8	-163.7	-19.6	33.7	0	0	0	114.6	E525 N573	E525-P527 WeakPolarHBondContact O-CD 3.46Å; P527-N573 VanDerWaalsContact CD-CG 3.41Å; P527-N573 HydrophobicContact CG-CB 3.97Å; P527-N573 WeakPolarHBondContact CG-OD1 3.47Å
528	Q	79.1	Confident	92.6	Very high	106 Å²	106	36 Å²	36	50%	0.495	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-28.4	180	-70.8	-177.1	-23.4	0	0	112.8	A526 V594	A526-Q528 PolarHBondContact O-N 3.23Å; Q528-V594 VanDerWaalsContact OE1-CG2 3.32Å
529	E	82.5	Confident	93.2	Very high	78 Å²	78	36.3 Å²	36.3	36%	0.364	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-1.3	-176.3	-65	177.2	-144.8	0	0	112.1	A526 K531 K596	A526-E529 PolarHBondContact O-N 3.13Å; E529-K531 HydrophobicContact CB-CB 4.48Å; E529-K531 HydrophobicContact CB-CD 3.92Å; E529-K531 HydrophobicContact CB-CG 3.83Å; E529-K531 PolarHBondContact O-N 3.47Å; E529-K531 VanDerWaalsContact OE2-CD 3.32Å; E529-K531 WeakPolarHBondContact OE2-CD 3.41Å; E529-K531 WeakPolarHBondContact OE2-CE 2.97Å; E529-K531 IonicContact OE2-NZ 3.51Å; E529-K531 PolarHBondContact OE2-NZ 3.38Å; E529-K596 VanDerWaalsContact OE1-CE 3.3Å; E529-K596 WeakPolarHBondContact OE1-CE 3.45Å; E529-K596 IonicContact OE1-NZ 3.89Å; E529-K596 PolarHBondContact OE1-NZ 2.98Å; E529-K596 IonicContact OE2-NZ 3.92Å
530	E	88.9	Confident	93.4	Very high	120 Å²	120	32.9 Å²	32.9	56%	0.561	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	39.9	-174.2	-60.5	-175.9	171.4	0	0	112.7	A526	A526-E530 PolarHBondContact O-N 2.93Å
531	K	93.4	Very high	93.5	Very high	39 Å²	39	33.4 Å²	33.4	17%	0.17	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.3	-179.6	-66.8	-175.9	-174.8	176.7	0	111	E525 A526 E529 I542 Y543 E549	E525-K531 CarbonylContact C-O 3.6Å; E525-K531 WeakPolarHBondContact CA-O 3.25Å; A526-K531 PolarHBondContact N-O 3.01Å; E529-K531 HydrophobicContact CB-CB 4.48Å; E529-K531 HydrophobicContact CB-CD 3.92Å; E529-K531 HydrophobicContact CB-CG 3.83Å; E529-K531 PolarHBondContact O-N 3.47Å; E529-K531 VanDerWaalsContact OE2-CD 3.32Å; E529-K531 WeakPolarHBondContact OE2-CD 3.41Å; E529-K531 WeakPolarHBondContact OE2-CE 2.97Å; E529-K531 IonicContact OE2-NZ 3.51Å; E529-K531 PolarHBondContact OE2-NZ 3.38Å; K531-I542 HydrophobicContact CB-CG2 3.84Å; K531-I542 HydrophobicContact CD-CG2 3.79Å; K531-I542 HydrophobicContact CG-CG2 4.31Å; K531-Y543 CarbonylContact C-O 3.59Å; K531-Y543 WeakPolarHBondContact CA-O 3.47Å; K531-Y543 WeakPolarHBondContact CB-O 3.16Å; K531-E549 HydrophobicContact CD-CG 4.41Å; K531-E549 WeakPolarHBondContact CE-OE1 3.44Å; K531-E549 IonicContact NZ-OE1 2.7Å; K531-E549 PolarHBondContact NZ-OE1 3.19Å
532	A	95.4	Very high	93.4	Very high	4 Å²	4	34 Å²	34	3%	0.033	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.2	170.9	0	0	0	0	0	109.3	I481 F534 I542 Y543	I481-A532 HydrophobicContact CD1-CB 4.29Å; I481-A532 HydrophobicContact CG2-CB 4.27Å; A532-F534 HydrophobicContact CB-CD2 4.44Å; A532-F534 HydrophobicContact CB-CE2 3.62Å; A532-F534 HydrophobicContact CB-CZ 4.12Å; A532-I542 CarbonylContact O-C 3.57Å; A532-I542 WeakPolarHBondContact O-CA 3.47Å; A532-Y543 PolarHBondContact N-O 2.9Å; A532-Y543 PolarHBondContact O-N 2.01Å
533	V	96.7	Very high	93.2	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.9	179.5	-176.6	0	0	0	0	108.3	V523 Y524 F535 Y540 W541 I542	V523-V533 VanDerWaalsContact CA-O 3.29Å; V523-V533 WeakPolarHBondContact CA-O 3.34Å; Y524-V533 HydrophobicContact CD1-CB 3.84Å; Y524-V533 HydrophobicContact CD1-CG1 4.26Å; Y524-V533 HydrophobicContact CE1-CB 3.41Å; Y524-V533 VanDerWaalsContact CE1-CB 3.41Å; Y524-V533 HydrophobicContact CE1-CG1 3.53Å; Y524-V533 HydrophobicContact CE1-CG2 3.96Å; Y524-V533 HydrophobicContact CE2-CB 4.45Å; Y524-V533 HydrophobicContact CE2-CG2 4.23Å; Y524-V533 PolarHBondContact N-O 2.89Å; Y524-V533 PolarHBondContact O-N 2.96Å; V533-F535 HydrophobicContact CG1-CE2 3.95Å; V533-F535 HydrophobicContact CG1-CZ 4.09Å; V533-Y540 HydrophobicContact CG1-CD2 4.09Å; V533-W541 CarbonylContact C-O 3.46Å; V533-W541 WeakPolarHBondContact CA-O 3.24Å; V533-I542 HydrophobicContact CG1-CG1 4.27Å; V533-I542 HydrophobicContact CG2-CD1 4.36Å; V533-I542 HydrophobicContact CG2-CG1 4.12Å; V533-I542 HydrophobicContact CG2-CG2 4.34Å
534	F	97.7	Very high	92.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.3	-177.7	-63.2	-91.8	0	0	0	110.2	I481 F488 W513 L516 I520 V523 A532 Y540 W541 Y543	I481-F534 HydrophobicContact CD1-CZ 4.28Å; F488-F534 AromaticContact CE1-CE1 3.68Å; F488-F534 HydrophobicContact CE1-CE1 3.68Å; F488-F534 HydrophobicContact CE1-CZ 4.49Å; F488-F534 AromaticContact CZ-CE1 3.66Å; F488-F534 HydrophobicContact CZ-CE1 3.66Å; F488-F534 HydrophobicContact CZ-CZ 4.3Å; W513-F534 HydrophobicContact CD2-CE1 4.38Å; W513-F534 HydrophobicContact CD2-CE2 4.05Å; W513-F534 AromaticContact CD2-CZ 3.57Å; W513-F534 HydrophobicContact CD2-CZ 3.57Å; W513-F534 AromaticContact CE2-CE2 3.86Å; W513-F534 AromaticContact CE2-CZ 3.5Å; W513-F534 VanDerWaalsContact CE2-CZ 3.5Å; W513-F534 HydrophobicContact CE3-CE1 4.31Å; W513-F534 AromaticContact CE3-CZ 3.88Å; W513-F534 HydrophobicContact CE3-CZ 3.88Å; W513-F534 HydrophobicContact CG-CE2 4.16Å; W513-F534 HydrophobicContact CG-CZ 4.13Å; W513-F534 HydrophobicContact CH2-CZ 4.03Å; W513-F534 HydrophobicContact CZ2-CE2 4.39Å; W513-F534 AromaticContact CZ2-CZ 3.74Å; W513-F534 HydrophobicContact CZ2-CZ 3.74Å; W513-F534 HydrophobicContact CZ3-CE1 4.48Å; W513-F534 HydrophobicContact CZ3-CZ 4.1Å; W513-F534 AromaticContact NE1-CE2 3.84Å; W513-F534 AromaticContact NE1-CZ 3.98Å; L516-F534 HydrophobicContact CD1-CB 4.34Å; L516-F534 HydrophobicContact CD1-CD1 3.61Å; L516-F534 HydrophobicContact CD1-CD2 4.04Å; L516-F534 HydrophobicContact CD1-CE1 3.8Å; L516-F534 HydrophobicContact CD1-CE2 4.21Å; L516-F534 HydrophobicContact CD1-CG 3.73Å; L516-F534 HydrophobicContact CD1-CZ 4.1Å; L516-F534 HydrophobicContact CD2-CB 3.64Å; L516-F534 HydrophobicContact CD2-CD1 4.45Å; L516-F534 HydrophobicContact CD2-CD2 4.23Å; L516-F534 HydrophobicContact CD2-CG 3.87Å; L516-F534 HydrophobicContact CG-CG 4.47Å; I520-F534 HydrophobicContact CD1-CD1 3.9Å; I520-F534 HydrophobicContact CD1-CE1 4.32Å; I520-F534 HydrophobicContact CG2-CD1 4.28Å; V523-F534 HydrophobicContact CB-CD1 3.88Å; V523-F534 HydrophobicContact CB-CE1 4.11Å; V523-F534 HydrophobicContact CG2-CD1 3.64Å; V523-F534 HydrophobicContact CG2-CE1 3.49Å; V523-F534 VanDerWaalsContact CG2-CE1 3.49Å; V523-F534 HydrophobicContact CG2-CG 4.33Å; V523-F534 HydrophobicContact CG2-CZ 4.06Å; A532-F534 HydrophobicContact CB-CD2 4.44Å; A532-F534 HydrophobicContact CB-CE2 3.62Å; A532-F534 HydrophobicContact CB-CZ 4.12Å; F534-Y540 CarbonylContact O-C 3.58Å; F534-Y540 WeakPolarHBondContact O-CA 3.3Å; F534-Y540 VanDerWaalsContact O-CB 3.27Å; F534-Y540 WeakPolarHBondContact O-CB 3.47Å; F534-W541 HydrophobicContact CB-CB 4.38Å; F534-W541 PolarHBondContact N-O 2.81Å; F534-W541 PolarHBondContact O-N 3.26Å; F534-Y543 AromaticContact CD2-CD2 3.79Å; F534-Y543 HydrophobicContact CD2-CD2 3.79Å; F534-Y543 HydrophobicContact CD2-CE2 4.25Å; F534-Y543 AromaticContact CE2-CD2 3.86Å; F534-Y543 HydrophobicContact CE2-CD2 3.86Å; F534-Y543 HydrophobicContact CE2-CE2 4.48Å
535	F	98	Very high	92.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.7	175	-63.9	-90.7	0	0	0	109.2	D521 A522 Y524 V533 Y540 L556 L559 V568 A571 I582	D521-F535 PolarHBondContact N-O 2.93Å; A522-F535 HydrophobicContact CB-CB 4.12Å; A522-F535 HydrophobicContact CB-CD2 3.99Å; A522-F535 HydrophobicContact CB-CG 4.38Å; A522-F535 PolarHBondContact N-O 2.88Å; A522-F535 PolarHBondContact O-N 2.78Å; Y524-F535 AromaticContact CD1-CE2 3.78Å; Y524-F535 HydrophobicContact CD1-CE2 3.78Å; Y524-F535 AromaticContact CE1-CE2 3.61Å; Y524-F535 HydrophobicContact CE1-CE2 3.61Å; Y524-F535 AromaticContact CE1-CZ 3.98Å; Y524-F535 HydrophobicContact CE1-CZ 3.98Å; V533-F535 HydrophobicContact CG1-CE2 3.95Å; V533-F535 HydrophobicContact CG1-CZ 4.09Å; F535-Y540 HydrophobicContact CE1-CG 4.41Å; F535-L556 HydrophobicContact CD1-CD2 3.56Å; F535-L556 HydrophobicContact CE1-CD2 3.93Å; F535-L559 HydrophobicContact CE1-CD2 3.58Å; F535-L559 HydrophobicContact CZ-CD2 3.8Å; F535-V568 HydrophobicContact CB-CB 4.19Å; F535-V568 HydrophobicContact CD1-CB 4.25Å; F535-V568 HydrophobicContact CD1-CG2 3.91Å; F535-V568 HydrophobicContact CE1-CG2 4.36Å; F535-V568 HydrophobicContact CG-CB 4.22Å; F535-V568 HydrophobicContact CG-CG1 4.3Å; F535-V568 HydrophobicContact CG-CG2 4.39Å; F535-A571 HydrophobicContact CD2-CB 4.16Å; F535-A571 HydrophobicContact CE2-CB 3.77Å; F535-I582 HydrophobicContact CZ-CD1 4.21Å
536	A	97	Very high	91.4	Very high	8 Å²	8	39.2 Å²	39.2	7%	0.066	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	124.8	170.9	0	0	0	0	0	109.5	P517 D521 N538 E539 W541	P517-A536 HydrophobicContact CG-CB 3.39Å; D521-A536 WeakPolarHBondContact OD2-CA 3.5Å; A536-N538 PolarHBondContact O-N 3.37Å; A536-E539 PolarHBondContact N-O 3.07Å; A536-E539 VanDerWaalsContact N-O 3.08Å; A536-E539 PolarHBondContact O-N 3.42Å; A536-E539 VanDerWaalsContact O-N 3.15Å; A536-E539 VanDerWaalsContact O-O 3.14Å; A536-W541 HydrophobicContact CB-CH2 4.21Å; A536-W541 HydrophobicContact CB-CZ3 3.71Å
537	G	95.7	Very high	91.1	Very high	31 Å²	31	43.9 Å²	43.9	32%	0.32	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	-130.4	-172.9	0	0	0	0	0	111.7	D521 E539 Q566	D521-G537 PolarHBondContact OD2-N 2.97Å; G537-E539 VanDerWaalsContact C-N 3.32Å; G537-Q566 CarbonylContact C-O 3.55Å
538	N	95.6	Very high	91.7	Very high	98 Å²	98	42.8 Å²	42.8	52%	0.524	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	12.2	-178.7	66.9	-35.9	0	0	0	113.6	A536 P555 L556 Q566	A536-N538 PolarHBondContact O-N 3.37Å; N538-P555 CarbonylContact O-C 3.55Å; N538-P555 VanDerWaalsContact O-CA 3.26Å; N538-P555 WeakPolarHBondContact O-CA 3.49Å; N538-L556 WeakPolarHBondContact O-CG 2.98Å; N538-L556 PolarHBondContact O-N 2.84Å; N538-Q566 PolarHBondContact N-O 2.92Å
539	E	97.3	Very high	92.2	Very high	71 Å²	71	40.4 Å²	40.4	33%	0.332	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	162.6	-177.1	-64.7	-173.2	124.3	0	0	112.5	A536 G537 W541 P553 K554	A536-E539 PolarHBondContact N-O 3.07Å; A536-E539 VanDerWaalsContact N-O 3.08Å; A536-E539 PolarHBondContact O-N 3.42Å; A536-E539 VanDerWaalsContact O-N 3.15Å; A536-E539 VanDerWaalsContact O-O 3.14Å; G537-E539 VanDerWaalsContact C-N 3.32Å; E539-W541 HydrophobicContact CB-CH2 3.7Å; E539-W541 HydrophobicContact CB-CZ3 3.76Å; E539-P553 HydrophobicContact CB-CB 4.22Å; E539-K554 CarbonylContact C-O 3.29Å; E539-K554 VanDerWaalsContact CA-O 3.27Å; E539-K554 WeakPolarHBondContact CA-O 3.49Å
540	Y	97.4	Very high	92.3	Very high	9 Å²	9	44 Å²	44	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.3	172.2	75.8	-72.8	0	0	0	111.7	V533 F534 F535 I542 Y552 P553 K554 L556 L559	V533-Y540 HydrophobicContact CG1-CD2 4.09Å; F534-Y540 CarbonylContact O-C 3.58Å; F534-Y540 WeakPolarHBondContact O-CA 3.3Å; F534-Y540 VanDerWaalsContact O-CB 3.27Å; F534-Y540 WeakPolarHBondContact O-CB 3.47Å; F535-Y540 HydrophobicContact CE1-CG 4.41Å; Y540-I542 HydrophobicContact CD2-CG1 4.17Å; Y540-I542 HydrophobicContact CE2-CD1 4.03Å; Y540-I542 HydrophobicContact CE2-CG1 4.07Å; Y540-Y552 HydrophobicContact CD2-CD1 4.44Å; Y540-Y552 HydrophobicContact CD2-CE1 4.02Å; Y540-Y552 HydrophobicContact CE1-CE1 4.24Å; Y540-Y552 HydrophobicContact CE2-CD1 4.17Å; Y540-Y552 AromaticContact CE2-CE1 3.34Å; Y540-Y552 HydrophobicContact CE2-CE1 3.34Å; Y540-Y552 AromaticContact CZ-CE1 3.46Å; Y540-Y552 VanDerWaalsContact CZ-CE1 3.46Å; Y540-Y552 WeakPolarHBondContact O-CD1 3.41Å; Y540-Y552 WeakPolarHBondContact OH-CE1 3.37Å; Y540-Y552 PolarHBondContact OH-OH 2.77Å; Y540-P553 VanDerWaalsContact O-CA 3.29Å; Y540-P553 WeakPolarHBondContact O-CA 3.41Å; Y540-K554 HydrophobicContact CD1-CB 4.26Å; Y540-K554 WeakPolarHBondContact CD1-O 3.32Å; Y540-K554 HydrophobicContact CE1-CB 3.64Å; Y540-K554 PolarHBondContact N-O 3.41Å; Y540-K554 PolarHBondContact O-N 2.95Å; Y540-K554 VanDerWaalsContact O-N 3.07Å; Y540-L556 HydrophobicContact CD1-CD2 4.33Å; Y540-L559 HydrophobicContact CE1-CB 3.99Å; Y540-L559 HydrophobicContact CE2-CD1 4.05Å
541	W	97.1	Very high	92.3	Very high	15 Å²	15	40.7 Å²	40.7	6%	0.057	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	146.8	179.4	-65.5	-114.3	0	0	0	109.2	E515 L516 P517 V533 F534 A536 E539 Y543 L548 P553	E515-W541 PolarHBondContact O-NE1 3.35Å; L516-W541 HydrophobicContact CD2-CB 3.92Å; L516-W541 HydrophobicContact CD2-CD2 3.79Å; L516-W541 HydrophobicContact CD2-CE3 4.12Å; L516-W541 HydrophobicContact CD2-CG 3.7Å; P517-W541 HydrophobicContact CG-CH2 4.13Å; P517-W541 HydrophobicContact CG-CZ2 4.5Å; V533-W541 CarbonylContact C-O 3.46Å; V533-W541 WeakPolarHBondContact CA-O 3.24Å; F534-W541 HydrophobicContact CB-CB 4.38Å; F534-W541 PolarHBondContact N-O 2.81Å; F534-W541 PolarHBondContact O-N 3.26Å; A536-W541 HydrophobicContact CB-CH2 4.21Å; A536-W541 HydrophobicContact CB-CZ3 3.71Å; E539-W541 HydrophobicContact CB-CH2 3.7Å; E539-W541 HydrophobicContact CB-CZ3 3.76Å; W541-Y543 HydrophobicContact CB-CD2 4.25Å; W541-Y543 HydrophobicContact CB-CE2 3.83Å; W541-Y543 HydrophobicContact CG-CE2 4.39Å; W541-L548 HydrophobicContact CB-CD1 4Å; W541-L548 HydrophobicContact CG-CD1 4.24Å; W541-P553 HydrophobicContact CD2-CB 3.78Å; W541-P553 VanDerWaalsContact CE2-CB 3.45Å; W541-P553 HydrophobicContact CE3-CB 4.37Å; W541-P553 HydrophobicContact CG-CB 4.12Å; W541-P553 HydrophobicContact CH2-CB 4.24Å; W541-P553 HydrophobicContact CZ2-CB 3.71Å; W541-P553 HydrophobicContact CZ2-CG 3.81Å
542	I	95.9	Very high	92.2	Very high	25 Å²	25	41.1 Å²	41.1	13%	0.128	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.8	170.6	-56.4	-168.3	0	0	0	107.9	K531 A532 V533 Y540 E549 Y552	K531-I542 HydrophobicContact CB-CG2 3.84Å; K531-I542 HydrophobicContact CD-CG2 3.79Å; K531-I542 HydrophobicContact CG-CG2 4.31Å; A532-I542 CarbonylContact O-C 3.57Å; A532-I542 WeakPolarHBondContact O-CA 3.47Å; V533-I542 HydrophobicContact CG1-CG1 4.27Å; V533-I542 HydrophobicContact CG2-CD1 4.36Å; V533-I542 HydrophobicContact CG2-CG1 4.12Å; V533-I542 HydrophobicContact CG2-CG2 4.34Å; Y540-I542 HydrophobicContact CD2-CG1 4.17Å; Y540-I542 HydrophobicContact CE2-CD1 4.03Å; Y540-I542 HydrophobicContact CE2-CG1 4.07Å; I542-E549 HydrophobicContact CB-CB 4.17Å; I542-E549 HydrophobicContact CB-CG 4.22Å; I542-E549 HydrophobicContact CG2-CB 4.38Å; I542-E549 HydrophobicContact CG2-CG 3.87Å; I542-E549 VanDerWaalsContact O-CB 3.25Å; I542-E549 WeakPolarHBondContact O-CB 3.43Å; I542-E549 PolarHBondContact O-N 2.96Å; I542-Y552 HydrophobicContact CB-CD2 4.1Å; I542-Y552 HydrophobicContact CB-CE2 4.02Å; I542-Y552 HydrophobicContact CB-CG 4.38Å; I542-Y552 HydrophobicContact CD1-CE1 3.93Å; I542-Y552 HydrophobicContact CD1-CE2 3.85Å; I542-Y552 VanDerWaalsContact CD1-OH 3.25Å; I542-Y552 WeakPolarHBondContact CD1-OH 3.31Å; I542-Y552 HydrophobicContact CG1-CD1 4.15Å; I542-Y552 HydrophobicContact CG1-CD2 4.33Å; I542-Y552 HydrophobicContact CG1-CE1 3.8Å; I542-Y552 HydrophobicContact CG1-CE2 3.95Å; I542-Y552 HydrophobicContact CG1-CG 4.41Å
543	Y	93.6	Very high	92.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.3	174.4	-75.5	-97	0	0	0	110.5	W513 E515 L516 K531 A532 F534 W541 T547 L548	W513-Y543 HydrophobicContact CB-CE1 4.3Å; W513-Y543 HydrophobicContact CB-CE2 4.23Å; W513-Y543 AromaticContact CD1-CD1 3.42Å; W513-Y543 VanDerWaalsContact CD1-CD1 3.42Å; W513-Y543 AromaticContact CD1-CD2 3.71Å; W513-Y543 AromaticContact CD1-CE1 3.66Å; W513-Y543 AromaticContact CD1-CE2 3.92Å; W513-Y543 AromaticContact CD1-CG 3.44Å; W513-Y543 VanDerWaalsContact CD1-CG 3.44Å; W513-Y543 AromaticContact CD1-CZ 3.9Å; W513-Y543 HydrophobicContact CG-CD1 4.5Å; W513-Y543 HydrophobicContact CG-CD2 4.45Å; W513-Y543 HydrophobicContact CG-CE1 4.4Å; W513-Y543 HydrophobicContact CG-CE2 4.34Å; W513-Y543 AromaticContact NE1-CG 3.9Å; E515-Y543 WeakPolarHBondContact CB-OH 2.94Å; E515-Y543 WeakPolarHBondContact OE2-CE1 3.03Å; E515-Y543 PolarHBondContact OE2-OH 2.69Å; L516-Y543 HydrophobicContact CD2-CE2 4.11Å; L516-Y543 HydrophobicContact CG-CE2 4.13Å; K531-Y543 CarbonylContact C-O 3.59Å; K531-Y543 WeakPolarHBondContact CA-O 3.47Å; K531-Y543 WeakPolarHBondContact CB-O 3.16Å; A532-Y543 PolarHBondContact N-O 2.9Å; A532-Y543 PolarHBondContact O-N 2.01Å; F534-Y543 AromaticContact CD2-CD2 3.79Å; F534-Y543 HydrophobicContact CD2-CD2 3.79Å; F534-Y543 HydrophobicContact CD2-CE2 4.25Å; F534-Y543 AromaticContact CE2-CD2 3.86Å; F534-Y543 HydrophobicContact CE2-CD2 3.86Å; F534-Y543 HydrophobicContact CE2-CE2 4.48Å; W541-Y543 HydrophobicContact CB-CD2 4.25Å; W541-Y543 HydrophobicContact CB-CE2 3.83Å; W541-Y543 HydrophobicContact CG-CE2 4.39Å; Y543-T547 WeakPolarHBondContact CA-O 3.4Å; Y543-L548 HydrophobicContact CD1-CB 4.11Å; Y543-L548 VanDerWaalsContact CD1-N 3.3Å; Y543-L548 HydrophobicContact CD2-CD1 4.21Å; Y543-L548 HydrophobicContact CE1-CB 3.63Å; Y543-L548 HydrophobicContact CE1-CD1 4.26Å; Y543-L548 HydrophobicContact CE2-CD1 3.78Å
544	S	89.1	Confident	92.2	Very high	46 Å²	46	46.5 Å²	46.5	32%	0.322	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.6	163.6	-175.1	0	0	0	0	107.2	S546 T547	S544-S546 PolarHBondContact O-N 3.06Å; S544-T547 PolarHBondContact N-O 2.86Å; S544-T547 PolarHBondContact O-N 2.89Å; S544-T547 VanDerWaalsContact O-N 3.08Å
545	A	80.1	Confident	92.2	Very high	37 Å²	37	49 Å²	49	31%	0.306	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	-121.2	-163.6	0	0	0	0	0	111.9	R482	R482-A545 VanDerWaalsContact NH1-CB 3.25Å; R482-A545 VanDerWaalsContact NH2-CB 3.26Å; R482-A545 VanDerWaalsContact NH2-N 3.11Å
546	S	79.6	Confident	92.1	Very high	72 Å²	72	49.2 Å²	49.2	50%	0.503	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	11.1	178.1	-48.5	0	0	0	0	111.9	S544	S544-S546 PolarHBondContact O-N 3.06Å
547	T	84.2	Confident	92.1	Very high	102 Å²	102	52.1 Å²	52.1	63%	0.626	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.8	-177	-52.2	0	0	0	0	110.4	Y543 S544 E549	Y543-T547 WeakPolarHBondContact CA-O 3.4Å; S544-T547 PolarHBondContact N-O 2.86Å; S544-T547 PolarHBondContact O-N 2.89Å; S544-T547 VanDerWaalsContact O-N 3.08Å; T547-E549 PolarHBondContact O-N 3.46Å
548	L	90.4	Very high	92	Very high	35 Å²	35	54.1 Å²	54.1	18%	0.183	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	129.2	175.3	-179.4	61.1	0	0	0	109.8	E515 W541 Y543	E515-L548 HydrophobicContact CB-CD2 4.07Å; E515-L548 HydrophobicContact CG-CD2 4.02Å; W541-L548 HydrophobicContact CB-CD1 4Å; W541-L548 HydrophobicContact CG-CD1 4.24Å; Y543-L548 HydrophobicContact CD1-CB 4.11Å; Y543-L548 VanDerWaalsContact CD1-N 3.3Å; Y543-L548 HydrophobicContact CD2-CD1 4.21Å; Y543-L548 HydrophobicContact CE1-CB 3.63Å; Y543-L548 HydrophobicContact CE1-CD1 4.26Å; Y543-L548 HydrophobicContact CE2-CD1 3.78Å
549	E	90.1	Very high	91.9	Very high	56 Å²	56	49.7 Å²	49.7	26%	0.262	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-66.1	143.5	176.5	-79.5	-79.1	-170.4	0	0	111.3	K531 I542 T547 G551 Y552	K531-E549 HydrophobicContact CD-CG 4.41Å; K531-E549 WeakPolarHBondContact CE-OE1 3.44Å; K531-E549 IonicContact NZ-OE1 2.7Å; K531-E549 PolarHBondContact NZ-OE1 3.19Å; I542-E549 HydrophobicContact CB-CB 4.17Å; I542-E549 HydrophobicContact CB-CG 4.22Å; I542-E549 HydrophobicContact CG2-CB 4.38Å; I542-E549 HydrophobicContact CG2-CG 3.87Å; I542-E549 VanDerWaalsContact O-CB 3.25Å; I542-E549 WeakPolarHBondContact O-CB 3.43Å; I542-E549 PolarHBondContact O-N 2.96Å; T547-E549 PolarHBondContact O-N 3.46Å; E549-G551 PolarHBondContact O-N 2.79Å; E549-Y552 HydrophobicContact CB-CD2 3.54Å; E549-Y552 HydrophobicContact CB-CE2 3.97Å; E549-Y552 WeakPolarHBondContact O-CB 3.3Å; E549-Y552 WeakPolarHBondContact O-CD2 3.31Å; E549-Y552 PolarHBondContact O-N 3.36Å
550	R	85.9	Confident	91.8	Very high	153 Å²	153	48.3 Å²	48.3	58%	0.577	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	135	-174.2	-178.5	173.5	159.7	-163.6	-13.5	112.1	E243 Y263 Y552	E243-R550 IonicContact OE1-CZ 3.95Å; E243-R550 VanDerWaalsContact OE1-CZ 3.26Å; E243-R550 IonicContact OE1-NE 3.46Å; E243-R550 IonicContact OE1-NH1 3.53Å; E243-R550 PolarHBondContact OE1-NH1 2.69Å; Y263-R550 PolarHBondContact OH-NE 2.79Å; Y263-R550 PolarHBondContact OH-NH1 2.63Å; Y263-R550 PolarHBondContact OH-NH2 2.75Å; R550-Y552 VanDerWaalsContact C-N 3.29Å
551	G	87.8	Confident	91.7	Very high	51 Å²	51	48.2 Å²	48.2	53%	0.526	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	10	179.2	0	0	0	0	0	113.9	E549 K554	E549-G551 PolarHBondContact O-N 2.79Å; G551-K554 WeakPolarHBondContact O-CE 3.34Å; G551-K554 WeakPolarHBondContact O-CG 3.4Å
552	Y	91.9	Very high	91.6	Very high	48 Å²	48	49.7 Å²	49.7	19%	0.188	30%	0.302	C	S	.	.			trans	-96.8	154.2	164.6	-70.7	-78.1	0	0	0	110.8	Y540 I542 E549 R550 K554	Y540-Y552 HydrophobicContact CD2-CD1 4.44Å; Y540-Y552 HydrophobicContact CD2-CE1 4.02Å; Y540-Y552 HydrophobicContact CE1-CE1 4.24Å; Y540-Y552 HydrophobicContact CE2-CD1 4.17Å; Y540-Y552 AromaticContact CE2-CE1 3.34Å; Y540-Y552 HydrophobicContact CE2-CE1 3.34Å; Y540-Y552 AromaticContact CZ-CE1 3.46Å; Y540-Y552 VanDerWaalsContact CZ-CE1 3.46Å; Y540-Y552 WeakPolarHBondContact O-CD1 3.41Å; Y540-Y552 WeakPolarHBondContact OH-CE1 3.37Å; Y540-Y552 PolarHBondContact OH-OH 2.77Å; I542-Y552 HydrophobicContact CB-CD2 4.1Å; I542-Y552 HydrophobicContact CB-CE2 4.02Å; I542-Y552 HydrophobicContact CB-CG 4.38Å; I542-Y552 HydrophobicContact CD1-CE1 3.93Å; I542-Y552 HydrophobicContact CD1-CE2 3.85Å; I542-Y552 VanDerWaalsContact CD1-OH 3.25Å; I542-Y552 WeakPolarHBondContact CD1-OH 3.31Å; I542-Y552 HydrophobicContact CG1-CD1 4.15Å; I542-Y552 HydrophobicContact CG1-CD2 4.33Å; I542-Y552 HydrophobicContact CG1-CE1 3.8Å; I542-Y552 HydrophobicContact CG1-CE2 3.95Å; I542-Y552 HydrophobicContact CG1-CG 4.41Å; E549-Y552 HydrophobicContact CB-CD2 3.54Å; E549-Y552 HydrophobicContact CB-CE2 3.97Å; E549-Y552 WeakPolarHBondContact O-CB 3.3Å; E549-Y552 WeakPolarHBondContact O-CD2 3.31Å; E549-Y552 PolarHBondContact O-N 3.36Å; R550-Y552 VanDerWaalsContact C-N 3.29Å; Y552-K554 HydrophobicContact CD1-CB 4.08Å; Y552-K554 HydrophobicContact CD1-CD 4.14Å; Y552-K554 HydrophobicContact CD1-CG 3.79Å; Y552-K554 HydrophobicContact CE1-CB 4.08Å; Y552-K554 HydrophobicContact CE1-CD 3.69Å; Y552-K554 HydrophobicContact CE1-CG 3.83Å
553	P	95.6	Very high	91.5	Very high	49 Å²	49	53.5 Å²	53.5	32%	0.318	33%	0.328	S	S	.	.	S	Bend	cis	-66.5	158.7	-2	25.6	-32.4	0	0	0	114.5	E539 Y540 W541	E539-P553 HydrophobicContact CB-CB 4.22Å; Y540-P553 VanDerWaalsContact O-CA 3.29Å; Y540-P553 WeakPolarHBondContact O-CA 3.41Å; W541-P553 HydrophobicContact CD2-CB 3.78Å; W541-P553 VanDerWaalsContact CE2-CB 3.45Å; W541-P553 HydrophobicContact CE3-CB 4.37Å; W541-P553 HydrophobicContact CG-CB 4.12Å; W541-P553 HydrophobicContact CH2-CB 4.24Å; W541-P553 HydrophobicContact CZ2-CB 3.71Å; W541-P553 HydrophobicContact CZ2-CG 3.81Å
554	K	95.9	Very high	91.5	Very high	70 Å²	70	59.2 Å²	59.2	30%	0.304	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.3	173.2	-68.5	-174.6	-172.8	173.4	0	110.1	E539 Y540 G551 Y552	E539-K554 CarbonylContact C-O 3.29Å; E539-K554 VanDerWaalsContact CA-O 3.27Å; E539-K554 WeakPolarHBondContact CA-O 3.49Å; Y540-K554 HydrophobicContact CD1-CB 4.26Å; Y540-K554 WeakPolarHBondContact CD1-O 3.32Å; Y540-K554 HydrophobicContact CE1-CB 3.64Å; Y540-K554 PolarHBondContact N-O 3.41Å; Y540-K554 PolarHBondContact O-N 2.95Å; Y540-K554 VanDerWaalsContact O-N 3.07Å; G551-K554 WeakPolarHBondContact O-CE 3.34Å; G551-K554 WeakPolarHBondContact O-CG 3.4Å; Y552-K554 HydrophobicContact CD1-CB 4.08Å; Y552-K554 HydrophobicContact CD1-CD 4.14Å; Y552-K554 HydrophobicContact CD1-CG 3.79Å; Y552-K554 HydrophobicContact CE1-CB 4.08Å; Y552-K554 HydrophobicContact CE1-CD 3.69Å; Y552-K554 HydrophobicContact CE1-CG 3.83Å
555	P	97.4	Very high	91.7	Very high	54 Å²	54	57.9 Å²	57.9	35%	0.351	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	149.3	173.7	28.2	-34.6	0	0	0	111.1	N538 T557 S558	N538-P555 CarbonylContact O-C 3.55Å; N538-P555 VanDerWaalsContact O-CA 3.26Å; N538-P555 WeakPolarHBondContact O-CA 3.49Å; P555-T557 PolarHBondContact O-N 3.46Å; P555-S558 VanDerWaalsContact O-CB 3.31Å; P555-S558 WeakPolarHBondContact O-CB 3.38Å; P555-S558 PolarHBondContact O-N 3.17Å
556	L	96.6	Very high	92.4	Very high	3 Å²	3	63 Å²	63	2%	0.016	37%	0.366	C	S	.	.	H	α-helix	trans	-53.8	-27.6	178.2	-64.2	-177.7	0	0	0	113.5	F535 N538 Y540 S558 L559 G560 L561 V565 V568	F535-L556 HydrophobicContact CD1-CD2 3.56Å; F535-L556 HydrophobicContact CE1-CD2 3.93Å; N538-L556 WeakPolarHBondContact O-CG 2.98Å; N538-L556 PolarHBondContact O-N 2.84Å; Y540-L556 HydrophobicContact CD1-CD2 4.33Å; L556-S558 PolarHBondContact O-N 3.2Å; L556-L559 VanDerWaalsContact O-CB 3.29Å; L556-L559 WeakPolarHBondContact O-CB 3.45Å; L556-L559 PolarHBondContact O-N 3.06Å; L556-G560 PolarHBondContact O-N 3.46Å; L556-L561 HydrophobicContact CB-CB 4.22Å; L556-L561 HydrophobicContact CB-CD1 3.99Å; L556-L561 HydrophobicContact CD1-CD1 4.24Å; L556-L561 HydrophobicContact CD2-CD1 4.27Å; L556-L561 HydrophobicContact CG-CD1 4.37Å; L556-L561 PolarHBondContact O-N 3.23Å; L556-V565 HydrophobicContact CD1-CG1 4.43Å; L556-V568 HydrophobicContact CD1-CG2 4.1Å; L556-V568 HydrophobicContact CD2-CG2 4.42Å
557	T	95.9	Very high	93.1	Very high	70 Å²	70	64.8 Å²	64.8	43%	0.429	36%	0.362	S	S	.	.	H	α-helix	trans	-61.2	-31.2	175.3	55	0	0	0	0	112.9	P555 L559 G560 L561 P563	P555-T557 PolarHBondContact O-N 3.46Å; T557-L559 VanDerWaalsContact C-N 3.25Å; T557-L559 PolarHBondContact O-N 2.93Å; T557-G560 PolarHBondContact O-N 3.37Å; T557-L561 WeakPolarHBondContact CA-O 3.27Å; T557-P563 HydrophobicContact CG2-CB 4.2Å; T557-P563 HydrophobicContact CG2-CG 4.07Å
558	S	95.1	Very high	93.7	Very high	72 Å²	72	60 Å²	60	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-68.3	-26.4	174.9	-61	0	0	0	0	112.6	P555 L556	P555-S558 VanDerWaalsContact O-CB 3.31Å; P555-S558 WeakPolarHBondContact O-CB 3.38Å; P555-S558 PolarHBondContact O-N 3.17Å; L556-S558 PolarHBondContact O-N 3.2Å
559	L	93.8	Very high	94.1	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-77	-14.8	173.2	-166.6	64.4	0	0	0	112	F535 Y540 L556 T557 I582 Y591 M598	F535-L559 HydrophobicContact CE1-CD2 3.58Å; F535-L559 HydrophobicContact CZ-CD2 3.8Å; Y540-L559 HydrophobicContact CE1-CB 3.99Å; Y540-L559 HydrophobicContact CE2-CD1 4.05Å; L556-L559 VanDerWaalsContact O-CB 3.29Å; L556-L559 WeakPolarHBondContact O-CB 3.45Å; L556-L559 PolarHBondContact O-N 3.06Å; T557-L559 VanDerWaalsContact C-N 3.25Å; T557-L559 PolarHBondContact O-N 2.93Å; L559-I582 HydrophobicContact CD2-CD1 3.64Å; L559-Y591 HydrophobicContact CD1-CD2 4.15Å; L559-Y591 HydrophobicContact CD1-CE1 4.11Å; L559-Y591 HydrophobicContact CD1-CE2 3.68Å; L559-Y591 HydrophobicContact CG-CD2 4.33Å; L559-Y591 HydrophobicContact CG-CE2 4.2Å; L559-Y591 WeakPolarHBondContact O-CE2 3.08Å; L559-M598 HydrophobicContact CD2-CE 4.46Å; L559-M598 HydrophobicContact CG-CE 4.14Å
560	G	94.9	Very high	94.4	Very high	42 Å²	42	56.9 Å²	56.9	43%	0.433	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.9	14.5	-177.4	0	0	0	0	0	114.3	L556 T557 M598	L556-G560 PolarHBondContact O-N 3.46Å; T557-G560 PolarHBondContact O-N 3.37Å; G560-M598 WeakPolarHBondContact O-CG 3.03Å
561	L	95.6	Very high	95	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.031	29%	0.291	C	S	.	.			trans	-77	145.4	168	-71.2	168.2	0	0	0	110.4	L556 T557 V565 V568 I582 W589 M598	L556-L561 HydrophobicContact CB-CB 4.22Å; L556-L561 HydrophobicContact CB-CD1 3.99Å; L556-L561 HydrophobicContact CD1-CD1 4.24Å; L556-L561 HydrophobicContact CD2-CD1 4.27Å; L556-L561 HydrophobicContact CG-CD1 4.37Å; L556-L561 PolarHBondContact O-N 3.23Å; T557-L561 WeakPolarHBondContact CA-O 3.27Å; L561-V565 HydrophobicContact CD1-CG1 4.46Å; L561-V568 HydrophobicContact CD1-CG2 4.03Å; L561-I582 HydrophobicContact CD1-CG2 4.37Å; L561-W589 HydrophobicContact CD2-CB 4.14Å; L561-W589 HydrophobicContact CD2-CD2 3.56Å; L561-W589 HydrophobicContact CD2-CE3 4.02Å; L561-W589 HydrophobicContact CD2-CG 3.61Å; L561-M598 HydrophobicContact CD2-CE 3.84Å; L561-M598 HydrophobicContact CG-CE 3.79Å
562	P	94.8	Very high	95.4	Very high	46 Å²	46	47.5 Å²	47.5	30%	0.299	27%	0.267	S	S	.	.			trans	-71.4	153.3	177.9	24.5	-24.2	0	0	0	111.7	D564 V565 W589	P562-D564 WeakPolarHBondContact CB-OD1 3.3Å; P562-D564 WeakPolarHBondContact CG-OD1 3.38Å; P562-D564 PolarHBondContact O-N 3.39Å; P562-D564 VanDerWaalsContact O-N 3.12Å; P562-V565 HydrophobicContact CG-CG2 4.1Å; P562-V565 PolarHBondContact O-N 2.81Å; P562-W589 HydrophobicContact CG-CZ2 4.21Å
563	P	93.8	Very high	95.5	Very high	106 Å²	106	46 Å²	46	69%	0.688	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.4	-170	-21.6	33.6	0	0	0	115.9	T557 V565	T557-P563 HydrophobicContact CG2-CB 4.2Å; T557-P563 HydrophobicContact CG2-CG 4.07Å; P563-V565 VanDerWaalsContact C-N 3.32Å
564	D	93.1	Very high	95.3	Very high	120 Å²	120	44.2 Å²	44.2	64%	0.642	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-22.6	174.2	59.7	-30.9	0	0	0	112.5	P562 Q566	P562-D564 WeakPolarHBondContact CB-OD1 3.3Å; P562-D564 WeakPolarHBondContact CG-OD1 3.38Å; P562-D564 PolarHBondContact O-N 3.39Å; P562-D564 VanDerWaalsContact O-N 3.12Å; D564-Q566 PolarHBondContact O-N 2.83Å
565	V	94.1	Very high	94.9	Very high	17 Å²	17	42.7 Å²	42.7	10%	0.103	25%	0.247	C	C	.	.			trans	-79.4	99	173.6	-176	0	0	0	0	109	L556 L561 P562 P563 R567 A584 W589	L556-V565 HydrophobicContact CD1-CG1 4.43Å; L561-V565 HydrophobicContact CD1-CG1 4.46Å; P562-V565 HydrophobicContact CG-CG2 4.1Å; P562-V565 PolarHBondContact O-N 2.81Å; P563-V565 VanDerWaalsContact C-N 3.32Å; V565-R567 WeakPolarHBondContact CG1-O 3.33Å; V565-A584 HydrophobicContact CG1-CB 4.1Å; V565-W589 HydrophobicContact CG2-CH2 3.6Å; V565-W589 HydrophobicContact CG2-CZ2 3.62Å; V565-W589 HydrophobicContact CG2-CZ3 4.47Å
566	Q	93.3	Very high	94.4	Very high	144 Å²	144	45.5 Å²	45.5	67%	0.673	25%	0.254	S	S	*	.			trans	-95.2	-4.8	178.7	-62.3	-170.3	-1.5	0	0	113.8	G537 N538 D564	G537-Q566 CarbonylContact C-O 3.55Å; N538-Q566 PolarHBondContact N-O 2.92Å; D564-Q566 PolarHBondContact O-N 2.83Å
567	R	95.8	Very high	94	Very high	111 Å²	111	48.2 Å²	48.2	42%	0.419	27%	0.269	S	S	.	.			trans	-156.6	148.7	-177.9	-168.7	172	-176.8	-124.5	-7.8	110.5	D521 V565 D569 A584	D521-R567 HydrophobicContact CB-CG 4.24Å; D521-R567 IonicContact OD1-CZ 3.23Å; D521-R567 IonicContact OD1-NE 4Å; D521-R567 PolarHBondContact OD1-NE 3.39Å; D521-R567 IonicContact OD1-NH2 2.78Å; D521-R567 PolarHBondContact OD1-NH2 3Å; D521-R567 WeakPolarHBondContact OD2-CG 3.19Å; D521-R567 IonicContact OD2-NE 2.87Å; D521-R567 PolarHBondContact OD2-NE 2.88Å; V565-R567 WeakPolarHBondContact CG1-O 3.33Å; R567-D569 IonicContact NH1-OD1 2.71Å; R567-A584 WeakPolarHBondContact O-CB 3.48Å
568	V	97	Very high	93.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.			trans	-115.6	129.5	173.8	170.7	0	0	0	0	107.8	D521 A522 F535 L556 L561 I582	D521-V568 WeakPolarHBondContact CB-O 3.47Å; A522-V568 HydrophobicContact CB-CG1 3.76Å; F535-V568 HydrophobicContact CB-CB 4.19Å; F535-V568 HydrophobicContact CD1-CB 4.25Å; F535-V568 HydrophobicContact CD1-CG2 3.91Å; F535-V568 HydrophobicContact CE1-CG2 4.36Å; F535-V568 HydrophobicContact CG-CB 4.22Å; F535-V568 HydrophobicContact CG-CG1 4.3Å; F535-V568 HydrophobicContact CG-CG2 4.39Å; L556-V568 HydrophobicContact CD1-CG2 4.1Å; L556-V568 HydrophobicContact CD2-CG2 4.42Å; L561-V568 HydrophobicContact CD1-CG2 4.03Å; V568-I582 HydrophobicContact CB-CG2 4.22Å; V568-I582 HydrophobicContact CG1-CG2 3.44Å; V568-I582 VanDerWaalsContact CG1-CG2 3.44Å; V568-I582 HydrophobicContact CG2-CG2 3.68Å
569	D	97.2	Very high	93.7	Very high	26 Å²	26	48.1 Å²	48.1	14%	0.139	25%	0.253	C	S	.	.	S	Bend	trans	-91.9	-29.8	-177	-51.6	-54.2	0	0	0	112.8	R567 F583 A584 G585 L617 D618	R567-D569 IonicContact NH1-OD1 2.71Å; D569-F583 PolarHBondContact N-O 2.85Å; D569-A584 WeakPolarHBondContact OD2-CA 3.35Å; D569-G585 PolarHBondContact OD2-N 3.09Å; D569-L617 CarbonylContact C-O 3.28Å; D569-L617 WeakPolarHBondContact CB-O 3.5Å; D569-D618 CarbonylContact O-C 3.47Å
570	A	97.7	Very high	93.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	150.7	174.5	0	0	0	0	0	111.7	F583 L617 V620	A570-F583 HydrophobicContact CB-CB 4.27Å; A570-F583 HydrophobicContact CB-CD2 4.36Å; A570-F583 PolarHBondContact N-O 2.99Å; A570-F583 PolarHBondContact O-N 2.01Å; A570-L617 HydrophobicContact CB-CB 4.16Å; A570-V620 HydrophobicContact CB-CG2 3.97Å
571	A	97.5	Very high	94	Very high	3 Å²	3	46.3 Å²	46.3	3%	0.025	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144	174.1	0	0	0	0	0	110.3	A522 Y524 F535 Y581	A522-A571 HydrophobicContact CB-CB 4.08Å; Y524-A571 HydrophobicContact CD1-CB 3.84Å; F535-A571 HydrophobicContact CD2-CB 4.16Å; F535-A571 HydrophobicContact CE2-CB 3.77Å; A571-Y581 VanDerWaalsContact CA-O 3.29Å; A571-Y581 WeakPolarHBondContact CA-O 2.99Å
572	F	96.2	Very high	94.1	Very high	5 Å²	5	46 Å²	46	2%	0.022	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	153.6	171.2	81	-68.1	0	0	0	112	W574 T580 Y581 F583 W610 V620 D622 F631	F572-W574 HydrophobicContact CD2-CB 4.47Å; F572-W574 HydrophobicContact CE2-CB 3.79Å; F572-W574 AromaticContact CE2-CD1 3.83Å; F572-W574 AromaticContact CE2-CG 3.88Å; F572-W574 HydrophobicContact CE2-CG 3.88Å; F572-W574 HydrophobicContact CZ-CB 4.22Å; F572-W574 HydrophobicContact CZ-CG 4.23Å; F572-T580 CarbonylContact O-C 3.56Å; F572-T580 WeakPolarHBondContact O-CA 3.4Å; F572-Y581 HydrophobicContact CE1-CD2 4.45Å; F572-Y581 HydrophobicContact CE1-CG 4.35Å; F572-Y581 PolarHBondContact N-O 2.92Å; F572-Y581 PolarHBondContact O-N 3.14Å; F572-F583 AromaticContact CD1-CE2 3.84Å; F572-F583 HydrophobicContact CD1-CE2 3.84Å; F572-F583 AromaticContact CE1-CE2 3.64Å; F572-F583 HydrophobicContact CE1-CE2 3.64Å; F572-F583 AromaticContact CE1-CZ 3.96Å; F572-F583 HydrophobicContact CE1-CZ 3.96Å; F572-W610 HydrophobicContact CZ-CH2 4.23Å; F572-V620 HydrophobicContact CB-CB 4.11Å; F572-V620 HydrophobicContact CB-CG1 4.17Å; F572-V620 WeakPolarHBondContact CB-O 3.43Å; F572-V620 HydrophobicContact CD1-CB 3.69Å; F572-V620 HydrophobicContact CD1-CG1 3.4Å; F572-V620 VanDerWaalsContact CD1-CG1 3.4Å; F572-V620 HydrophobicContact CD1-CG2 4.33Å; F572-V620 HydrophobicContact CD2-CG1 3.93Å; F572-V620 HydrophobicContact CE1-CB 4.28Å; F572-V620 HydrophobicContact CE1-CG1 3.62Å; F572-V620 HydrophobicContact CE2-CG1 4.1Å; F572-V620 HydrophobicContact CG-CB 3.95Å; F572-V620 HydrophobicContact CG-CG1 3.57Å; F572-V620 HydrophobicContact CZ-CG1 3.96Å; F572-D622 HydrophobicContact CD2-CB 3.8Å; F572-D622 HydrophobicContact CE2-CB 4.08Å; F572-F631 HydrophobicContact CE1-CZ 4.39Å; F572-F631 HydrophobicContact CZ-CZ 4.28Å
573	N	94.3	Very high	94.2	Very high	16 Å²	16	43.9 Å²	43.9	9%	0.086	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130.9	166.6	-167.3	-88.2	0	0	0	110.1	Y524 P527 K578 T580	Y524-N573 HydrophobicContact CD2-CB 4.25Å; P527-N573 VanDerWaalsContact CD-CG 3.41Å; P527-N573 HydrophobicContact CG-CB 3.97Å; P527-N573 WeakPolarHBondContact CG-OD1 3.47Å; N573-K578 PolarHBondContact ND2-O 3.15Å; N573-T580 PolarHBondContact ND2-OG1 2.91Å
574	W	91.6	Very high	94.4	Very high	12 Å²	12	39.5 Å²	39.5	5%	0.045	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.6	-177.3	-163.7	17.5	0	0	0	111.9	F572 K576 N577 K578 K579 Y581 W610 S629 N642 L645	F572-W574 HydrophobicContact CD2-CB 4.47Å; F572-W574 HydrophobicContact CE2-CB 3.79Å; F572-W574 AromaticContact CE2-CD1 3.83Å; F572-W574 AromaticContact CE2-CG 3.88Å; F572-W574 HydrophobicContact CE2-CG 3.88Å; F572-W574 HydrophobicContact CZ-CB 4.22Å; F572-W574 HydrophobicContact CZ-CG 4.23Å; W574-K576 HydrophobicContact CD2-CB 4.15Å; W574-K576 HydrophobicContact CG-CB 4.29Å; W574-K576 HydrophobicContact CH2-CD 4.28Å; W574-K576 HydrophobicContact CZ2-CD 4.06Å; W574-K576 PolarHBondContact O-N 2.89Å; W574-N577 PolarHBondContact O-N 2.9Å; W574-K578 WeakPolarHBondContact O-CA 3.04Å; W574-K578 PolarHBondContact O-N 2.79Å; W574-K579 PolarHBondContact N-O 3.43Å; W574-Y581 HydrophobicContact CB-CD2 4.13Å; W574-Y581 HydrophobicContact CB-CE2 3.97Å; W574-Y581 HydrophobicContact CD2-CE2 4.4Å; W574-Y581 HydrophobicContact CE3-CD2 4.37Å; W574-Y581 AromaticContact CE3-CE2 3.55Å; W574-Y581 HydrophobicContact CE3-CE2 3.55Å; W574-Y581 AromaticContact CE3-CZ 3.74Å; W574-Y581 HydrophobicContact CZ3-CE2 4.34Å; W574-W610 HydrophobicContact CD2-CH2 4.39Å; W574-W610 AromaticContact CE3-CH2 3.92Å; W574-W610 HydrophobicContact CE3-CH2 3.92Å; W574-W610 AromaticContact CH2-CH2 3.67Å; W574-W610 HydrophobicContact CH2-CH2 3.67Å; W574-W610 AromaticContact CH2-CZ3 3.79Å; W574-W610 HydrophobicContact CH2-CZ3 3.79Å; W574-W610 HydrophobicContact CZ2-CH2 4.18Å; W574-W610 HydrophobicContact CZ2-CZ3 4.09Å; W574-W610 AromaticContact CZ3-CH2 3.55Å; W574-W610 HydrophobicContact CZ3-CH2 3.55Å; W574-W610 HydrophobicContact CZ3-CZ2 4.37Å; W574-W610 HydrophobicContact CZ3-CZ3 4.16Å; W574-S629 PolarHBondContact NE1-OG 2.89Å; W574-N642 PolarHBondContact NE1-ND2 3.08Å; W574-N642 PolarHBondContact NE1-OD1 2.85Å; W574-N642 VanDerWaalsContact NE1-OD1 3.1Å; W574-L645 HydrophobicContact CH2-CD1 4.31Å; W574-L645 HydrophobicContact CH2-CD2 3.37Å; W574-L645 HydrophobicContact CH2-CG 4.46Å; W574-L645 HydrophobicContact CZ2-CD2 3.36Å
575	S	87	Confident	94.5	Very high	37 Å²	37	34.8 Å²	34.8	26%	0.259	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.7	-178	55.5	0	0	0	0	114.6	K578 D622 N642	S575-K578 WeakPolarHBondContact O-CE 3.42Å; S575-D622 WeakPolarHBondContact CB-OD1 3.45Å; S575-D622 PolarHBondContact N-OD1 2.04Å; S575-D622 PolarHBondContact OG-OD1 2.94Å; S575-N642 PolarHBondContact OG-ND2 3.12Å
576	K	86.6	Confident	94.6	Very high	114 Å²	114	37.4 Å²	37.4	50%	0.496	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-45	-178.4	-178.1	-179.1	-172.5	171.1	0	113.8	W574 N642	W574-K576 HydrophobicContact CD2-CB 4.15Å; W574-K576 HydrophobicContact CG-CB 4.29Å; W574-K576 HydrophobicContact CH2-CD 4.28Å; W574-K576 HydrophobicContact CZ2-CD 4.06Å; W574-K576 PolarHBondContact O-N 2.89Å; K576-N642 WeakPolarHBondContact CD-O 3.24Å; K576-N642 PolarHBondContact NZ-O 2.72Å
577	N	89.6	Confident	94.8	Very high	59 Å²	59	34.4 Å²	34.4	32%	0.316	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	2.2	-172.8	58.2	25.2	0	0	0	113.4	W574 K579 Y581	W574-N577 PolarHBondContact O-N 2.9Å; N577-K579 HydrophobicContact CB-CG 4.35Å; N577-K579 PolarHBondContact O-N 2.88Å; N577-K579 VanDerWaalsContact O-N 3.13Å; N577-K579 WeakPolarHBondContact OD1-CB 3.47Å; N577-K579 PolarHBondContact OD1-N 3.35Å; N577-K579 VanDerWaalsContact OD1-N 3.13Å; N577-Y581 PolarHBondContact ND2-OH 2.71Å
578	K	90.6	Very high	94.9	Very high	100 Å²	100	29.3 Å²	29.3	44%	0.435	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	24.5	179.3	-52.6	-60.2	-176.5	175	0	113.2	N573 W574 S575	N573-K578 PolarHBondContact ND2-O 3.15Å; W574-K578 WeakPolarHBondContact O-CA 3.04Å; W574-K578 PolarHBondContact O-N 2.79Å; S575-K578 WeakPolarHBondContact O-CE 3.42Å
579	K	93.9	Very high	94.9	Very high	41 Å²	41	29.9 Å²	29.9	18%	0.178	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	146.5	173.9	-60	-65.1	-178.2	166.8	0	109.8	W574 N577 Y581 R590 N592 D599	W574-K579 PolarHBondContact N-O 3.43Å; N577-K579 HydrophobicContact CB-CG 4.35Å; N577-K579 PolarHBondContact O-N 2.88Å; N577-K579 VanDerWaalsContact O-N 3.13Å; N577-K579 WeakPolarHBondContact OD1-CB 3.47Å; N577-K579 PolarHBondContact OD1-N 3.35Å; N577-K579 VanDerWaalsContact OD1-N 3.13Å; K579-Y581 HydrophobicContact CB-CD2 4.47Å; K579-Y581 HydrophobicContact CB-CE2 3.78Å; K579-R590 HydrophobicContact CB-CG 3.77Å; K579-R590 HydrophobicContact CG-CG 4.23Å; K579-N592 HydrophobicContact CD-CB 4.47Å; K579-N592 PolarHBondContact NZ-ND2 3.24Å; K579-N592 PolarHBondContact NZ-OD1 3.47Å; K579-D599 IonicContact NZ-OD1 3.81Å; K579-D599 IonicContact NZ-OD2 3.93Å
580	T	96.4	Very high	95	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	133.1	173.6	-57.3	0	0	0	0	108.6	Y524 F572 N573 I582 R590 Y591 E593	Y524-T580 HydrophobicContact CD1-CG2 4.19Å; Y524-T580 HydrophobicContact CD2-CG2 3.98Å; Y524-T580 HydrophobicContact CE1-CG2 3.77Å; Y524-T580 HydrophobicContact CE2-CG2 3.56Å; Y524-T580 WeakPolarHBondContact CE2-OG1 3.39Å; Y524-T580 HydrophobicContact CG-CG2 4.29Å; Y524-T580 VanDerWaalsContact CZ-CG2 3.44Å; F572-T580 CarbonylContact O-C 3.56Å; F572-T580 WeakPolarHBondContact O-CA 3.4Å; N573-T580 PolarHBondContact ND2-OG1 2.91Å; T580-I582 HydrophobicContact CG2-CG1 4.29Å; T580-R590 CarbonylContact O-C 3.58Å; T580-R590 WeakPolarHBondContact O-CA 3.48Å; T580-Y591 PolarHBondContact N-O 3.23Å; T580-Y591 VanDerWaalsContact N-O 3.08Å; T580-Y591 PolarHBondContact O-N 3.47Å; T580-E593 WeakPolarHBondContact OG1-CG 3.2Å; T580-E593 PolarHBondContact OG1-OE1 3.02Å
581	Y	97.1	Very high	94.9	Very high	10 Å²	10	32.8 Å²	32.8	4%	0.039	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.6	176.2	-68.5	-100.8	0	0	0	108.6	A571 F572 W574 N577 K579 F588 W589 R590 W610	A571-Y581 VanDerWaalsContact CA-O 3.29Å; A571-Y581 WeakPolarHBondContact CA-O 2.99Å; F572-Y581 HydrophobicContact CE1-CD2 4.45Å; F572-Y581 HydrophobicContact CE1-CG 4.35Å; F572-Y581 PolarHBondContact N-O 2.92Å; F572-Y581 PolarHBondContact O-N 3.14Å; W574-Y581 HydrophobicContact CB-CD2 4.13Å; W574-Y581 HydrophobicContact CB-CE2 3.97Å; W574-Y581 HydrophobicContact CD2-CE2 4.4Å; W574-Y581 HydrophobicContact CE3-CD2 4.37Å; W574-Y581 AromaticContact CE3-CE2 3.55Å; W574-Y581 HydrophobicContact CE3-CE2 3.55Å; W574-Y581 AromaticContact CE3-CZ 3.74Å; W574-Y581 HydrophobicContact CZ3-CE2 4.34Å; N577-Y581 PolarHBondContact ND2-OH 2.71Å; K579-Y581 HydrophobicContact CB-CD2 4.47Å; K579-Y581 HydrophobicContact CB-CE2 3.78Å; Y581-F588 AromaticContact CD1-CD2 3.72Å; Y581-F588 HydrophobicContact CD1-CD2 3.72Å; Y581-F588 AromaticContact CD1-CE2 3.66Å; Y581-F588 HydrophobicContact CD1-CE2 3.66Å; Y581-F588 HydrophobicContact CE1-CD2 4.39Å; Y581-F588 AromaticContact CE1-CE2 3.86Å; Y581-F588 HydrophobicContact CE1-CE2 3.86Å; Y581-W589 WeakPolarHBondContact CA-O 3.43Å; Y581-R590 HydrophobicContact CD1-CB 4.39Å; Y581-R590 HydrophobicContact CD1-CG 4.29Å; Y581-R590 HydrophobicContact CE1-CB 4.23Å; Y581-R590 HydrophobicContact CE1-CG 3.91Å; Y581-R590 HydrophobicContact CE2-CG 4.25Å; Y581-R590 WeakPolarHBondContact OH-CD 3.35Å; Y581-W610 AromaticContact CD1-CZ2 3.7Å; Y581-W610 HydrophobicContact CD1-CZ2 3.7Å; Y581-W610 AromaticContact CE1-CZ2 3.81Å; Y581-W610 HydrophobicContact CE1-CZ2 3.81Å; Y581-W610 HydrophobicContact CG-CZ2 4.2Å
582	I	98	Very high	94.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.7	-176.1	-51.8	-179.9	0	0	0	107.2	F535 L559 L561 V568 T580 F588 W589 M598	F535-I582 HydrophobicContact CZ-CD1 4.21Å; L559-I582 HydrophobicContact CD2-CD1 3.64Å; L561-I582 HydrophobicContact CD1-CG2 4.37Å; V568-I582 HydrophobicContact CB-CG2 4.22Å; V568-I582 HydrophobicContact CG1-CG2 3.44Å; V568-I582 VanDerWaalsContact CG1-CG2 3.44Å; V568-I582 HydrophobicContact CG2-CG2 3.68Å; T580-I582 HydrophobicContact CG2-CG1 4.29Å; I582-F588 CarbonylContact O-C 3.57Å; I582-F588 WeakPolarHBondContact O-CA 3.09Å; I582-F588 WeakPolarHBondContact O-CB 3.27Å; I582-W589 PolarHBondContact N-O 3.02Å; I582-W589 PolarHBondContact O-N 3.42Å; I582-M598 HydrophobicContact CD1-CE 3.79Å
583	F	98	Very high	94.5	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.2	-175	-60.6	-100.1	0	0	0	109.5	D569 A570 F572 F588 I606 W610 L617 V620 F631	D569-F583 PolarHBondContact N-O 2.85Å; A570-F583 HydrophobicContact CB-CB 4.27Å; A570-F583 HydrophobicContact CB-CD2 4.36Å; A570-F583 PolarHBondContact N-O 2.99Å; A570-F583 PolarHBondContact O-N 2.01Å; F572-F583 AromaticContact CD1-CE2 3.84Å; F572-F583 HydrophobicContact CD1-CE2 3.84Å; F572-F583 AromaticContact CE1-CE2 3.64Å; F572-F583 HydrophobicContact CE1-CE2 3.64Å; F572-F583 AromaticContact CE1-CZ 3.96Å; F572-F583 HydrophobicContact CE1-CZ 3.96Å; F583-F588 HydrophobicContact CD1-CB 3.52Å; F583-F588 HydrophobicContact CD1-CG 4.3Å; F583-F588 HydrophobicContact CE1-CB 3.77Å; F583-F588 HydrophobicContact CE1-CG 4.07Å; F583-F588 HydrophobicContact CG-CB 4.02Å; F583-F588 HydrophobicContact CZ-CB 4.45Å; F583-I606 HydrophobicContact CD1-CD1 3.92Å; F583-I606 HydrophobicContact CD1-CG1 4.01Å; F583-I606 HydrophobicContact CE1-CG1 4.45Å; F583-W610 AromaticContact CE1-NE1 3.78Å; F583-W610 HydrophobicContact CZ-CZ2 4.2Å; F583-L617 HydrophobicContact CD1-CD1 3.94Å; F583-L617 HydrophobicContact CE1-CD1 4.27Å; F583-L617 HydrophobicContact CG-CD1 4.21Å; F583-V620 HydrophobicContact CE2-CG2 4.37Å; F583-F631 HydrophobicContact CE1-CE1 4.46Å; F583-F631 HydrophobicContact CZ-CE1 4.08Å
584	A	97.5	Very high	94.3	Very high	13 Å²	13	37.5 Å²	37.5	11%	0.107	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	121	172.1	0	0	0	0	0	109.4	V565 R567 D569 D586 K587 W589	V565-A584 HydrophobicContact CG1-CB 4.1Å; R567-A584 WeakPolarHBondContact O-CB 3.48Å; D569-A584 WeakPolarHBondContact OD2-CA 3.35Å; A584-D586 PolarHBondContact O-N 3.16Å; A584-K587 PolarHBondContact N-O 3.19Å; A584-K587 PolarHBondContact O-N 3.4Å; A584-K587 VanDerWaalsContact O-O 3.08Å; A584-W589 HydrophobicContact CB-CH2 4.41Å; A584-W589 HydrophobicContact CB-CZ3 3.83Å
585	G	95.9	Very high	94.3	Very high	21 Å²	21	44.3 Å²	44.3	22%	0.216	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	-126.2	-176.3	0	0	0	0	0	112.8	D569 I606 N616	D569-G585 PolarHBondContact OD2-N 3.09Å; G585-I606 WeakPolarHBondContact O-CD1 3.42Å; G585-N616 WeakPolarHBondContact CA-OD1 3.47Å; G585-N616 PolarHBondContact O-N 2.86Å
586	D	96.4	Very high	94.5	Very high	73 Å²	73	47.1 Å²	47.1	39%	0.39	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	1.7	176.4	64	-20.3	0	0	0	113.2	A584 L605 I606 D615	A584-D586 PolarHBondContact O-N 3.16Å; D586-L605 HydrophobicContact CB-CD2 4.44Å; D586-L605 WeakPolarHBondContact O-CA 3.43Å; D586-I606 PolarHBondContact O-N 2.75Å; D586-D615 HydrophobicContact CB-CB 4.45Å
587	K	97.1	Very high	94.8	Very high	80 Å²	80	48.7 Å²	48.7	35%	0.348	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	159	-171.8	-72.7	167.3	-161.6	170.9	0	112.4	A584 W589 P603 K604 L605	A584-K587 PolarHBondContact N-O 3.19Å; A584-K587 PolarHBondContact O-N 3.4Å; A584-K587 VanDerWaalsContact O-O 3.08Å; K587-W589 HydrophobicContact CB-CH2 3.9Å; K587-W589 HydrophobicContact CB-CZ3 3.94Å; K587-P603 HydrophobicContact CB-CB 4Å; K587-P603 HydrophobicContact CD-CB 4.12Å; K587-P603 HydrophobicContact CD-CG 4.15Å; K587-P603 HydrophobicContact CG-CB 4.22Å; K587-K604 CarbonylContact C-O 3.55Å; K587-K604 VanDerWaalsContact CA-O 3.26Å; K587-K604 WeakPolarHBondContact CA-O 3.33Å; K587-L605 HydrophobicContact CG-CD2 4.1Å
588	F	97.4	Very high	95.1	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.6	170	76.8	-79.2	0	0	0	112.4	Y581 I582 F583 F602 P603 K604 L605 I606 A609 W610	Y581-F588 AromaticContact CD1-CD2 3.72Å; Y581-F588 HydrophobicContact CD1-CD2 3.72Å; Y581-F588 AromaticContact CD1-CE2 3.66Å; Y581-F588 HydrophobicContact CD1-CE2 3.66Å; Y581-F588 HydrophobicContact CE1-CD2 4.39Å; Y581-F588 AromaticContact CE1-CE2 3.86Å; Y581-F588 HydrophobicContact CE1-CE2 3.86Å; I582-F588 CarbonylContact O-C 3.57Å; I582-F588 WeakPolarHBondContact O-CA 3.09Å; I582-F588 WeakPolarHBondContact O-CB 3.27Å; F583-F588 HydrophobicContact CD1-CB 3.52Å; F583-F588 HydrophobicContact CD1-CG 4.3Å; F583-F588 HydrophobicContact CE1-CB 3.77Å; F583-F588 HydrophobicContact CE1-CG 4.07Å; F583-F588 HydrophobicContact CG-CB 4.02Å; F583-F588 HydrophobicContact CZ-CB 4.45Å; F588-F602 HydrophobicContact CD2-CD1 4.43Å; F588-F602 AromaticContact CD2-CE1 3.99Å; F588-F602 HydrophobicContact CD2-CE1 3.99Å; F588-F602 HydrophobicContact CE2-CD1 4.27Å; F588-F602 AromaticContact CE2-CE1 3.45Å; F588-F602 HydrophobicContact CE2-CE1 3.45Å; F588-F602 VanDerWaalsContact CE2-CE1 3.45Å; F588-F602 HydrophobicContact CE2-CZ 4.33Å; F588-F602 AromaticContact CZ-CE1 3.9Å; F588-F602 HydrophobicContact CZ-CE1 3.9Å; F588-F602 WeakPolarHBondContact O-CD1 3.27Å; F588-P603 VanDerWaalsContact O-CA 3.3Å; F588-P603 WeakPolarHBondContact O-CA 3.45Å; F588-K604 HydrophobicContact CD1-CB 4.22Å; F588-K604 VanDerWaalsContact CD1-O 3.26Å; F588-K604 WeakPolarHBondContact CD1-O 3.49Å; F588-K604 HydrophobicContact CE1-CB 3.58Å; F588-K604 HydrophobicContact CZ-CB 3.93Å; F588-K604 HydrophobicContact CZ-CD 4.46Å; F588-K604 PolarHBondContact N-O 2.81Å; F588-K604 PolarHBondContact O-N 3.42Å; F588-L605 WeakPolarHBondContact CE1-O 3.4Å; F588-I606 HydrophobicContact CB-CG1 4.45Å; F588-I606 HydrophobicContact CD1-CG1 4.14Å; F588-A609 HydrophobicContact CE1-CB 3.57Å; F588-A609 HydrophobicContact CZ-CB 3.46Å; F588-A609 VanDerWaalsContact CZ-CB 3.46Å; F588-W610 AromaticContact CD1-CD1 3.94Å; F588-W610 AromaticContact CD1-NE1 3.77Å; F588-W610 AromaticContact CD2-NE1 3.74Å; F588-W610 AromaticContact CE1-CD1 3.64Å; F588-W610 AromaticContact CE1-NE1 3.48Å; F588-W610 HydrophobicContact CE2-CZ2 4.47Å; F588-W610 AromaticContact CE2-NE1 3.39Å; F588-W610 AromaticContact CG-NE1 3.9Å; F588-W610 AromaticContact CZ-CD1 3.86Å; F588-W610 AromaticContact CZ-NE1 3.27Å; F588-W610 VanDerWaalsContact CZ-NE1 3.27Å
589	W	97.8	Very high	95.4	Very high	13 Å²	13	44 Å²	44	5%	0.049	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158.4	177.7	-67.2	-104.5	0	0	0	110.2	L561 P562 V565 Y581 I582 A584 K587 M598 P603	L561-W589 HydrophobicContact CD2-CB 4.14Å; L561-W589 HydrophobicContact CD2-CD2 3.56Å; L561-W589 HydrophobicContact CD2-CE3 4.02Å; L561-W589 HydrophobicContact CD2-CG 3.61Å; P562-W589 HydrophobicContact CG-CZ2 4.21Å; V565-W589 HydrophobicContact CG2-CH2 3.6Å; V565-W589 HydrophobicContact CG2-CZ2 3.62Å; V565-W589 HydrophobicContact CG2-CZ3 4.47Å; Y581-W589 WeakPolarHBondContact CA-O 3.43Å; I582-W589 PolarHBondContact N-O 3.02Å; I582-W589 PolarHBondContact O-N 3.42Å; A584-W589 HydrophobicContact CB-CH2 4.41Å; A584-W589 HydrophobicContact CB-CZ3 3.83Å; K587-W589 HydrophobicContact CB-CH2 3.9Å; K587-W589 HydrophobicContact CB-CZ3 3.94Å; W589-M598 HydrophobicContact CB-CE 4.42Å; W589-M598 HydrophobicContact CB-SD 4.07Å; W589-P603 HydrophobicContact CD2-CB 4.02Å; W589-P603 HydrophobicContact CG-CB 4.49Å; W589-P603 HydrophobicContact CH2-CB 4.19Å; W589-P603 HydrophobicContact CZ2-CB 3.65Å; W589-P603 HydrophobicContact CZ2-CG 3.83Å
590	R	97.4	Very high	95.4	Very high	70 Å²	70	48 Å²	48	26%	0.264	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.3	174.8	-168.6	172.5	72.7	-157.8	-2.2	110.7	K579 T580 Y581 D599 F602	K579-R590 HydrophobicContact CB-CG 3.77Å; K579-R590 HydrophobicContact CG-CG 4.23Å; T580-R590 CarbonylContact O-C 3.58Å; T580-R590 WeakPolarHBondContact O-CA 3.48Å; Y581-R590 HydrophobicContact CD1-CB 4.39Å; Y581-R590 HydrophobicContact CD1-CG 4.29Å; Y581-R590 HydrophobicContact CE1-CB 4.23Å; Y581-R590 HydrophobicContact CE1-CG 3.91Å; Y581-R590 HydrophobicContact CE2-CG 4.25Å; Y581-R590 WeakPolarHBondContact OH-CD 3.35Å; R590-D599 IonicContact CZ-OD2 3.93Å; R590-D599 VanDerWaalsContact CZ-OD2 3.25Å; R590-D599 IonicContact NE-OD2 2.61Å; R590-D599 PolarHBondContact NE-OD2 3.36Å; R590-D599 IonicContact NH2-OD2 3.76Å; R590-D599 PolarHBondContact NH2-OD2 2.66Å; R590-D599 PolarHBondContact O-N 3.4Å; R590-F602 HydrophobicContact CB-CD1 4.24Å; R590-F602 HydrophobicContact CB-CD2 3.97Å; R590-F602 HydrophobicContact CB-CE1 3.84Å; R590-F602 HydrophobicContact CB-CE2 3.54Å; R590-F602 HydrophobicContact CB-CG 4.3Å; R590-F602 HydrophobicContact CB-CZ 3.45Å; R590-F602 VanDerWaalsContact CB-CZ 3.45Å; R590-F602 HydrophobicContact CG-CZ 4.41Å
591	Y	96.2	Very high	95.2	Very high	17 Å²	17	50.9 Å²	50.9	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.4	179.3	-173.5	-104.4	0	0	0	111.3	L559 T580 E593 K596 M598	L559-Y591 HydrophobicContact CD1-CD2 4.15Å; L559-Y591 HydrophobicContact CD1-CE1 4.11Å; L559-Y591 HydrophobicContact CD1-CE2 3.68Å; L559-Y591 HydrophobicContact CG-CD2 4.33Å; L559-Y591 HydrophobicContact CG-CE2 4.2Å; L559-Y591 WeakPolarHBondContact O-CE2 3.08Å; T580-Y591 PolarHBondContact N-O 3.23Å; T580-Y591 VanDerWaalsContact N-O 3.08Å; T580-Y591 PolarHBondContact O-N 3.47Å; Y591-E593 HydrophobicContact CD1-CG 4.43Å; Y591-K596 VanDerWaalsContact OH-C 3.23Å; Y591-K596 WeakPolarHBondContact OH-CA 3.32Å; Y591-K596 PolarHBondContact OH-O 3.45Å; Y591-M598 HydrophobicContact CD2-CE 3.96Å; Y591-M598 HydrophobicContact CD2-CG 4.36Å; Y591-M598 HydrophobicContact CD2-SD 3.78Å; Y591-M598 HydrophobicContact CG-SD 4.3Å
592	N	93.9	Very high	95	Very high	12 Å²	12	52.1 Å²	52.1	6%	0.064	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	99.8	-179.8	-174.6	-14.5	0	0	0	109.8	K579 V594 K595 K596 K597	K579-N592 HydrophobicContact CD-CB 4.47Å; K579-N592 PolarHBondContact NZ-ND2 3.24Å; K579-N592 PolarHBondContact NZ-OD1 3.47Å; N592-V594 PolarHBondContact O-N 3.32Å; N592-V594 PolarHBondContact OD1-N 3.37Å; N592-K595 HydrophobicContact CB-CB 4.21Å; N592-K595 WeakPolarHBondContact ND2-CD 3.35Å; N592-K595 WeakPolarHBondContact ND2-CG 3.31Å; N592-K595 CarbonylContact O-C 3.51Å; N592-K595 PolarHBondContact O-N 3.1Å; N592-K595 VanDerWaalsContact O-N 3.16Å; N592-K595 PolarHBondContact OD1-N 2.81Å; N592-K596 WeakPolarHBondContact O-CA 3.45Å; N592-K596 PolarHBondContact O-N 3.24Å; N592-K597 VanDerWaalsContact CB-O 3.26Å; N592-K597 WeakPolarHBondContact CB-O 3.42Å; N592-K597 PolarHBondContact N-O 3.31Å; N592-K597 PolarHBondContact O-N 2.81Å
593	E	90.8	Very high	95	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.037	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.9	-178.6	-68.2	-62.3	165.5	0	0	113.3	Y524 T580 Y591 K596	Y524-E593 WeakPolarHBondContact CE2-OE1 3.49Å; Y524-E593 PolarHBondContact OH-OE1 3.2Å; T580-E593 WeakPolarHBondContact OG1-CG 3.2Å; T580-E593 PolarHBondContact OG1-OE1 3.02Å; Y591-E593 HydrophobicContact CD1-CG 4.43Å; E593-K596 WeakPolarHBondContact O-CD 3.27Å; E593-K596 WeakPolarHBondContact O-CE 3.27Å; E593-K596 IonicContact OE2-NZ 3.41Å; E593-K596 PolarHBondContact OE2-NZ 2.62Å
594	V	90.1	Very high	94.9	Very high	103 Å²	103	59.7 Å²	59.7	62%	0.624	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-40.7	-180	-178.9	0	0	0	0	111.7	Q528 N592	Q528-V594 VanDerWaalsContact OE1-CG2 3.32Å; N592-V594 PolarHBondContact O-N 3.32Å; N592-V594 PolarHBondContact OD1-N 3.37Å
595	K	91.9	Very high	94.8	Very high	155 Å²	155	62.4 Å²	62.4	67%	0.674	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-8.1	-179.4	-65.7	-170.8	-177.4	179.6	0	113.2	N592 K597	N592-K595 HydrophobicContact CB-CB 4.21Å; N592-K595 WeakPolarHBondContact ND2-CD 3.35Å; N592-K595 WeakPolarHBondContact ND2-CG 3.31Å; N592-K595 CarbonylContact O-C 3.51Å; N592-K595 PolarHBondContact O-N 3.1Å; N592-K595 VanDerWaalsContact O-N 3.16Å; N592-K595 PolarHBondContact OD1-N 2.81Å; K595-K597 PolarHBondContact O-N 2.94Å
596	K	91.1	Very high	94.8	Very high	95 Å²	95	61.4 Å²	61.4	41%	0.413	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	44.9	-171.7	-58	-68.8	177.8	-175.5	0	112.9	E529 Y591 N592 E593	E529-K596 VanDerWaalsContact OE1-CE 3.3Å; E529-K596 WeakPolarHBondContact OE1-CE 3.45Å; E529-K596 IonicContact OE1-NZ 3.89Å; E529-K596 PolarHBondContact OE1-NZ 2.98Å; E529-K596 IonicContact OE2-NZ 3.92Å; Y591-K596 VanDerWaalsContact OH-C 3.23Å; Y591-K596 WeakPolarHBondContact OH-CA 3.32Å; Y591-K596 PolarHBondContact OH-O 3.45Å; N592-K596 WeakPolarHBondContact O-CA 3.45Å; N592-K596 PolarHBondContact O-N 3.24Å; E593-K596 WeakPolarHBondContact O-CD 3.27Å; E593-K596 WeakPolarHBondContact O-CE 3.27Å; E593-K596 IonicContact OE2-NZ 3.41Å; E593-K596 PolarHBondContact OE2-NZ 2.62Å
597	K	94.3	Very high	94.6	Very high	147 Å²	147	61.2 Å²	61.2	64%	0.639	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.1	155	-177.8	-71.1	-172.2	-179.1	-174.8	0	112.1	N592 K595	N592-K597 VanDerWaalsContact CB-O 3.26Å; N592-K597 WeakPolarHBondContact CB-O 3.42Å; N592-K597 PolarHBondContact N-O 3.31Å; N592-K597 PolarHBondContact O-N 2.81Å; K595-K597 PolarHBondContact O-N 2.94Å
598	M	95.4	Very high	94.3	Very high	37 Å²	37	63.4 Å²	63.4	18%	0.182	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	141.7	167.9	-67.3	-60	176.8	0	0	111.6	L559 G560 L561 I582 W589 Y591	L559-M598 HydrophobicContact CD2-CE 4.46Å; L559-M598 HydrophobicContact CG-CE 4.14Å; G560-M598 WeakPolarHBondContact O-CG 3.03Å; L561-M598 HydrophobicContact CD2-CE 3.84Å; L561-M598 HydrophobicContact CG-CE 3.79Å; I582-M598 HydrophobicContact CD1-CE 3.79Å; W589-M598 HydrophobicContact CB-CE 4.42Å; W589-M598 HydrophobicContact CB-SD 4.07Å; Y591-M598 HydrophobicContact CD2-CE 3.96Å; Y591-M598 HydrophobicContact CD2-CG 4.36Å; Y591-M598 HydrophobicContact CD2-SD 3.78Å; Y591-M598 HydrophobicContact CG-SD 4.3Å
599	D	95.6	Very high	93.8	Very high	25 Å²	25	65.1 Å²	65.1	13%	0.134	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-74.1	145.5	172.2	-83.6	-13.6	0	0	0	110.5	K579 R590 F602	K579-D599 IonicContact NZ-OD1 3.81Å; K579-D599 IonicContact NZ-OD2 3.93Å; R590-D599 IonicContact CZ-OD2 3.93Å; R590-D599 VanDerWaalsContact CZ-OD2 3.25Å; R590-D599 IonicContact NE-OD2 2.61Å; R590-D599 PolarHBondContact NE-OD2 3.36Å; R590-D599 IonicContact NH2-OD2 3.76Å; R590-D599 PolarHBondContact NH2-OD2 2.66Å; R590-D599 PolarHBondContact O-N 3.4Å; D599-F602 HydrophobicContact CB-CD2 4.18Å; D599-F602 HydrophobicContact CB-CE2 4.19Å; D599-F602 WeakPolarHBondContact O-CD2 3.33Å
600	P	94.4	Very high	93.4	Very high	124 Å²	124	64.8 Å²	64.8	81%	0.805	36%	0.355	S	S	*	.	S	Bend	trans	-63	151.5	175.4	-21.8	32.9	0	0	0	113.2
601	G	91.8	Very high	92.8	Very high	60 Å²	60	67 Å²	67	62%	0.619	37%	0.372	S	S	*	.	S	Bend	trans	83.7	22.6	177.4	0	0	0	0	0	114.6	K604	G601-K604 VanDerWaalsContact O-CE 3.28Å; G601-K604 WeakPolarHBondContact O-CE 3.48Å; G601-K604 WeakPolarHBondContact O-CG 3.21Å
602	F	94.6	Very high	92.3	Very high	36 Å²	36	69.6 Å²	69.6	16%	0.158	40%	0.397	C	S	.	.			trans	-119.7	153.5	171.7	-72.9	-85.8	0	0	0	110.1	F588 R590 D599 K604	F588-F602 HydrophobicContact CD2-CD1 4.43Å; F588-F602 AromaticContact CD2-CE1 3.99Å; F588-F602 HydrophobicContact CD2-CE1 3.99Å; F588-F602 HydrophobicContact CE2-CD1 4.27Å; F588-F602 AromaticContact CE2-CE1 3.45Å; F588-F602 HydrophobicContact CE2-CE1 3.45Å; F588-F602 VanDerWaalsContact CE2-CE1 3.45Å; F588-F602 HydrophobicContact CE2-CZ 4.33Å; F588-F602 AromaticContact CZ-CE1 3.9Å; F588-F602 HydrophobicContact CZ-CE1 3.9Å; F588-F602 WeakPolarHBondContact O-CD1 3.27Å; R590-F602 HydrophobicContact CB-CD1 4.24Å; R590-F602 HydrophobicContact CB-CD2 3.97Å; R590-F602 HydrophobicContact CB-CE1 3.84Å; R590-F602 HydrophobicContact CB-CE2 3.54Å; R590-F602 HydrophobicContact CB-CG 4.3Å; R590-F602 HydrophobicContact CB-CZ 3.45Å; R590-F602 VanDerWaalsContact CB-CZ 3.45Å; R590-F602 HydrophobicContact CG-CZ 4.41Å; D599-F602 HydrophobicContact CB-CD2 4.18Å; D599-F602 HydrophobicContact CB-CE2 4.19Å; D599-F602 WeakPolarHBondContact O-CD2 3.33Å; F602-K604 HydrophobicContact CD1-CB 4.32Å; F602-K604 HydrophobicContact CD1-CD 4.42Å; F602-K604 HydrophobicContact CD1-CG 3.97Å; F602-K604 HydrophobicContact CE1-CB 4.38Å; F602-K604 HydrophobicContact CE1-CD 3.99Å; F602-K604 HydrophobicContact CE1-CG 4.01Å; F602-K604 HydrophobicContact CZ-CD 4.36Å
603	P	96.4	Very high	92.1	Very high	58 Å²	58	69.5 Å²	69.5	38%	0.377	40%	0.397	S	S	.	.			cis	-69.1	160.9	4.1	25.1	-31	0	0	0	114.4	K587 F588 W589	K587-P603 HydrophobicContact CB-CB 4Å; K587-P603 HydrophobicContact CD-CB 4.12Å; K587-P603 HydrophobicContact CD-CG 4.15Å; K587-P603 HydrophobicContact CG-CB 4.22Å; F588-P603 VanDerWaalsContact O-CA 3.3Å; F588-P603 WeakPolarHBondContact O-CA 3.45Å; W589-P603 HydrophobicContact CD2-CB 4.02Å; W589-P603 HydrophobicContact CG-CB 4.49Å; W589-P603 HydrophobicContact CH2-CB 4.19Å; W589-P603 HydrophobicContact CZ2-CB 3.65Å; W589-P603 HydrophobicContact CZ2-CG 3.83Å
604	K	96.5	Very high	92.2	Very high	103 Å²	103	71.4 Å²	71.4	45%	0.448	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	155.9	166.6	-68	-170.9	177.5	-166.2	0	109.9	K587 F588 G601 F602	K587-K604 CarbonylContact C-O 3.55Å; K587-K604 VanDerWaalsContact CA-O 3.26Å; K587-K604 WeakPolarHBondContact CA-O 3.33Å; F588-K604 HydrophobicContact CD1-CB 4.22Å; F588-K604 VanDerWaalsContact CD1-O 3.26Å; F588-K604 WeakPolarHBondContact CD1-O 3.49Å; F588-K604 HydrophobicContact CE1-CB 3.58Å; F588-K604 HydrophobicContact CZ-CB 3.93Å; F588-K604 HydrophobicContact CZ-CD 4.46Å; F588-K604 PolarHBondContact N-O 2.81Å; F588-K604 PolarHBondContact O-N 3.42Å; G601-K604 VanDerWaalsContact O-CE 3.28Å; G601-K604 WeakPolarHBondContact O-CE 3.48Å; G601-K604 WeakPolarHBondContact O-CG 3.21Å; F602-K604 HydrophobicContact CD1-CB 4.32Å; F602-K604 HydrophobicContact CD1-CD 4.42Å; F602-K604 HydrophobicContact CD1-CG 3.97Å; F602-K604 HydrophobicContact CE1-CB 4.38Å; F602-K604 HydrophobicContact CE1-CD 3.99Å; F602-K604 HydrophobicContact CE1-CG 4.01Å; F602-K604 HydrophobicContact CZ-CD 4.36Å
605	L	96.7	Very high	92.4	Very high	69 Å²	69	69.8 Å²	69.8	36%	0.361	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141	172.2	-66.1	173.6	0	0	0	110.2	D586 K587 F588 A607 D608	D586-L605 HydrophobicContact CB-CD2 4.44Å; D586-L605 WeakPolarHBondContact O-CA 3.43Å; K587-L605 HydrophobicContact CG-CD2 4.1Å; F588-L605 WeakPolarHBondContact CE1-O 3.4Å; L605-A607 VanDerWaalsContact C-N 3.33Å; L605-D608 HydrophobicContact CB-CB 4.24Å; L605-D608 PolarHBondContact O-N 3.02Å
606	I	94.6	Very high	92.5	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	39%	0.387	C	S	.	.	H	α-helix	trans	-60.5	-47.8	177.8	-65.6	170.5	0	0	0	109.5	F583 G585 D586 F588 D608 A609 W610 I613	F583-I606 HydrophobicContact CD1-CD1 3.92Å; F583-I606 HydrophobicContact CD1-CG1 4.01Å; F583-I606 HydrophobicContact CE1-CG1 4.45Å; G585-I606 WeakPolarHBondContact O-CD1 3.42Å; D586-I606 PolarHBondContact O-N 2.75Å; F588-I606 HydrophobicContact CB-CG1 4.45Å; F588-I606 HydrophobicContact CD1-CG1 4.14Å; I606-D608 PolarHBondContact O-N 3.49Å; I606-D608 VanDerWaalsContact O-N 3.14Å; I606-A609 PolarHBondContact O-N 3.28Å; I606-A609 VanDerWaalsContact O-N 3.13Å; I606-W610 HydrophobicContact CG2-CB 4.18Å; I606-W610 WeakPolarHBondContact O-CB 3.37Å; I606-W610 PolarHBondContact O-N 3.36Å; I606-I613 HydrophobicContact CG2-CB 4.1Å; I606-I613 HydrophobicContact CG2-CG2 3.87Å
607	A	91.9	Very high	92.6	Very high	68 Å²	68	62 Å²	62	56%	0.562	37%	0.367	S	S	*	.	H	α-helix	trans	-56.9	-29	179.1	0	0	0	0	0	114.4	L605	L605-A607 VanDerWaalsContact C-N 3.33Å
608	D	90.6	Very high	92.7	Very high	127 Å²	127	56.6 Å²	56.6	68%	0.679	35%	0.346	S	S	*	.	H	α-helix	trans	-78.6	-25	-178.6	-72.6	-13.1	0	0	0	113.2	L605 I606	L605-D608 HydrophobicContact CB-CB 4.24Å; L605-D608 PolarHBondContact O-N 3.02Å; I606-D608 PolarHBondContact O-N 3.49Å; I606-D608 VanDerWaalsContact O-N 3.14Å
609	A	88.1	Confident	92.7	Very high	39 Å²	39	55 Å²	55	32%	0.322	34%	0.339	S	S	.	.	H	α-helix	trans	-118.2	-25.2	-171.1	0	0	0	0	0	113.9	F588 I606	F588-A609 HydrophobicContact CE1-CB 3.57Å; F588-A609 HydrophobicContact CZ-CB 3.46Å; F588-A609 VanDerWaalsContact CZ-CB 3.46Å; I606-A609 PolarHBondContact O-N 3.28Å; I606-A609 VanDerWaalsContact O-N 3.13Å
610	W	88	Confident	92.8	Very high	6 Å²	6	54 Å²	54	2%	0.023	33%	0.333	C	S	.	.	S	Bend	trans	-124.6	98.4	-172.5	-58.7	100.3	0	0	0	110.2	F572 W574 Y581 F583 F588 I606 A612 I613 F631 L640	F572-W610 HydrophobicContact CZ-CH2 4.23Å; W574-W610 HydrophobicContact CD2-CH2 4.39Å; W574-W610 AromaticContact CE3-CH2 3.92Å; W574-W610 HydrophobicContact CE3-CH2 3.92Å; W574-W610 AromaticContact CH2-CH2 3.67Å; W574-W610 HydrophobicContact CH2-CH2 3.67Å; W574-W610 AromaticContact CH2-CZ3 3.79Å; W574-W610 HydrophobicContact CH2-CZ3 3.79Å; W574-W610 HydrophobicContact CZ2-CH2 4.18Å; W574-W610 HydrophobicContact CZ2-CZ3 4.09Å; W574-W610 AromaticContact CZ3-CH2 3.55Å; W574-W610 HydrophobicContact CZ3-CH2 3.55Å; W574-W610 HydrophobicContact CZ3-CZ2 4.37Å; W574-W610 HydrophobicContact CZ3-CZ3 4.16Å; Y581-W610 AromaticContact CD1-CZ2 3.7Å; Y581-W610 HydrophobicContact CD1-CZ2 3.7Å; Y581-W610 AromaticContact CE1-CZ2 3.81Å; Y581-W610 HydrophobicContact CE1-CZ2 3.81Å; Y581-W610 HydrophobicContact CG-CZ2 4.2Å; F583-W610 AromaticContact CE1-NE1 3.78Å; F583-W610 HydrophobicContact CZ-CZ2 4.2Å; F588-W610 AromaticContact CD1-CD1 3.94Å; F588-W610 AromaticContact CD1-NE1 3.77Å; F588-W610 AromaticContact CD2-NE1 3.74Å; F588-W610 AromaticContact CE1-CD1 3.64Å; F588-W610 AromaticContact CE1-NE1 3.48Å; F588-W610 HydrophobicContact CE2-CZ2 4.47Å; F588-W610 AromaticContact CE2-NE1 3.39Å; F588-W610 AromaticContact CG-NE1 3.9Å; F588-W610 AromaticContact CZ-CD1 3.86Å; F588-W610 AromaticContact CZ-NE1 3.27Å; F588-W610 VanDerWaalsContact CZ-NE1 3.27Å; I606-W610 HydrophobicContact CG2-CB 4.18Å; I606-W610 WeakPolarHBondContact O-CB 3.37Å; I606-W610 PolarHBondContact O-N 3.36Å; W610-A612 PolarHBondContact O-N 2.88Å; W610-I613 HydrophobicContact CB-CB 3.78Å; W610-I613 HydrophobicContact CB-CG1 3.66Å; W610-I613 HydrophobicContact CB-CG2 4.43Å; W610-I613 PolarHBondContact O-N 3.23Å; W610-F631 HydrophobicContact CD2-CZ 4.48Å; W610-F631 AromaticContact CE3-CZ 3.89Å; W610-F631 HydrophobicContact CE3-CZ 3.89Å; W610-F631 HydrophobicContact CH2-CZ 4.47Å; W610-F631 AromaticContact CZ3-CZ 3.88Å; W610-F631 HydrophobicContact CZ3-CZ 3.88Å; W610-L640 HydrophobicContact CE3-CD2 4.03Å; W610-L640 HydrophobicContact CZ3-CD2 4.04Å
611	N	84.9	Confident	92.7	Very high	117 Å²	117	48.2 Å²	48.2	63%	0.626	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	134.6	179	-79.1	-25.9	0	0	0	111.6	I613	N611-I613 PolarHBondContact O-N 3.04Å
612	A	85.9	Confident	92.7	Very high	71 Å²	71	46.2 Å²	46.2	59%	0.587	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	8.2	177.9	0	0	0	0	0	115.7	W610 L638	W610-A612 PolarHBondContact O-N 2.88Å; A612-L638 WeakPolarHBondContact O-CD1 3.03Å
613	I	91.1	Very high	92.4	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.056	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-89.4	123.3	176.6	-58.3	-48.5	0	0	0	108.7	I606 W610 N611 L617 F631 L638 L640	I606-I613 HydrophobicContact CG2-CB 4.1Å; I606-I613 HydrophobicContact CG2-CG2 3.87Å; W610-I613 HydrophobicContact CB-CB 3.78Å; W610-I613 HydrophobicContact CB-CG1 3.66Å; W610-I613 HydrophobicContact CB-CG2 4.43Å; W610-I613 PolarHBondContact O-N 3.23Å; N611-I613 PolarHBondContact O-N 3.04Å; I613-L617 HydrophobicContact CG2-CD1 3.67Å; I613-L617 HydrophobicContact CG2-CD2 3.85Å; I613-L617 HydrophobicContact CG2-CG 4.15Å; I613-F631 HydrophobicContact CD1-CB 3.99Å; I613-F631 HydrophobicContact CD1-CD1 4.04Å; I613-F631 HydrophobicContact CD1-CD2 3.73Å; I613-F631 HydrophobicContact CD1-CE1 4.48Å; I613-F631 HydrophobicContact CD1-CE2 4.2Å; I613-F631 HydrophobicContact CD1-CG 3.65Å; I613-F631 HydrophobicContact CG1-CD1 4.23Å; I613-F631 HydrophobicContact CG1-CE1 4.33Å; I613-F631 HydrophobicContact CG1-CG 4.34Å; I613-F631 HydrophobicContact CG2-CD1 3.64Å; I613-F631 HydrophobicContact CG2-CE1 4.04Å; I613-F631 HydrophobicContact CG2-CG 4.28Å; I613-L638 HydrophobicContact CD1-CB 4.44Å; I613-L640 HydrophobicContact CD1-CD1 4.37Å
614	P	92.6	Very high	91.6	Very high	47 Å²	47	50 Å²	50	31%	0.305	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-73.1	157.2	178.2	30.3	-34.7	0	0	0	111.7	L617 K633	P614-L617 HydrophobicContact CG-CD2 3.84Å; P614-L617 WeakPolarHBondContact O-CD2 3.42Å; P614-L617 WeakPolarHBondContact O-CG 3.49Å; P614-K633 HydrophobicContact CG-CB 4.16Å; P614-K633 HydrophobicContact CG-CG 4.34Å
615	D	94.3	Very high	90.8	Very high	69 Å²	69	49 Å²	49	37%	0.369	30%	0.303	S	S	.	.	S	Bend	trans	-70.2	161.9	169.2	-58.1	-27.4	0	0	0	111.1	D586 L617	D586-D615 HydrophobicContact CB-CB 4.45Å; D615-L617 PolarHBondContact O-N 2Å
616	N	93	Very high	90.1	Very high	84 Å²	84	47.6 Å²	47.6	45%	0.449	30%	0.299	S	S	.	.	S	Bend	trans	54.3	50	-179.9	-50.3	-81.9	0	0	0	112.6	G585 K633	G585-N616 WeakPolarHBondContact CA-OD1 3.47Å; G585-N616 PolarHBondContact O-N 2.86Å; N616-K633 WeakPolarHBondContact O-CD 2.99Å; N616-K633 VanDerWaalsContact O-CE 3.27Å; N616-K633 WeakPolarHBondContact O-CE 3.37Å; N616-K633 PolarHBondContact O-NZ 3.39Å
617	L	93.6	Very high	89.7	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	32%	0.317	C	S	.	.			trans	-59.4	150.3	176.7	-65.4	162.1	0	0	0	111.7	D569 A570 F583 I613 P614 D615 V620 F631	D569-L617 CarbonylContact C-O 3.28Å; D569-L617 WeakPolarHBondContact CB-O 3.5Å; A570-L617 HydrophobicContact CB-CB 4.16Å; F583-L617 HydrophobicContact CD1-CD1 3.94Å; F583-L617 HydrophobicContact CE1-CD1 4.27Å; F583-L617 HydrophobicContact CG-CD1 4.21Å; I613-L617 HydrophobicContact CG2-CD1 3.67Å; I613-L617 HydrophobicContact CG2-CD2 3.85Å; I613-L617 HydrophobicContact CG2-CG 4.15Å; P614-L617 HydrophobicContact CG-CD2 3.84Å; P614-L617 WeakPolarHBondContact O-CD2 3.42Å; P614-L617 WeakPolarHBondContact O-CG 3.49Å; D615-L617 PolarHBondContact O-N 2Å; L617-V620 HydrophobicContact CD1-CG2 4Å; L617-F631 HydrophobicContact CD1-CD1 3.64Å; L617-F631 HydrophobicContact CD1-CE1 4.19Å; L617-F631 HydrophobicContact CD2-CB 4.19Å; L617-F631 HydrophobicContact CD2-CD1 4.33Å
618	D	95.4	Very high	89.7	Confident	34 Å²	34	48 Å²	48	18%	0.182	30%	0.299	C	S	.	.	S	Bend	trans	-93.4	-27.8	177.8	-52.4	-39.4	0	0	0	112.1	V474 D569 F632 K633 G634	V474-D618 HydrophobicContact CG1-CB 4.23Å; V474-D618 WeakPolarHBondContact CG1-OD2 3.49Å; D569-D618 CarbonylContact O-C 3.47Å; D618-F632 PolarHBondContact N-O 2.87Å; D618-K633 IonicContact OD1-NZ 3.72Å; D618-K633 PolarHBondContact OD1-NZ 2.96Å; D618-K633 VanDerWaalsContact OD2-CA 3.28Å; D618-K633 WeakPolarHBondContact OD2-CA 3.43Å; D618-K633 IonicContact OD2-NZ 3.1Å; D618-G634 PolarHBondContact OD2-N 3.21Å
619	A	97.1	Very high	89.8	Confident	5 Å²	5	42 Å²	42	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	163.3	173.6	0	0	0	0	0	111.9	I478 F632	I478-A619 HydrophobicContact CB-CB 3.78Å; I478-A619 HydrophobicContact CD1-CB 4.31Å; I478-A619 HydrophobicContact CG1-CB 3.94Å; A619-F632 HydrophobicContact CB-CB 4.12Å; A619-F632 HydrophobicContact CB-CD2 3.98Å; A619-F632 HydrophobicContact CB-CG 4.36Å; A619-F632 PolarHBondContact O-N 2.88Å
620	V	96.6	Very high	90.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134.3	168.5	-172.9	0	0	0	0	109.2	A570 F572 F583 L617 Y630 F631	A570-V620 HydrophobicContact CB-CG2 3.97Å; F572-V620 HydrophobicContact CB-CB 4.11Å; F572-V620 HydrophobicContact CB-CG1 4.17Å; F572-V620 WeakPolarHBondContact CB-O 3.43Å; F572-V620 HydrophobicContact CD1-CB 3.69Å; F572-V620 HydrophobicContact CD1-CG1 3.4Å; F572-V620 VanDerWaalsContact CD1-CG1 3.4Å; F572-V620 HydrophobicContact CD1-CG2 4.33Å; F572-V620 HydrophobicContact CD2-CG1 3.93Å; F572-V620 HydrophobicContact CE1-CB 4.28Å; F572-V620 HydrophobicContact CE1-CG1 3.62Å; F572-V620 HydrophobicContact CE2-CG1 4.1Å; F572-V620 HydrophobicContact CG-CB 3.95Å; F572-V620 HydrophobicContact CG-CG1 3.57Å; F572-V620 HydrophobicContact CZ-CG1 3.96Å; F583-V620 HydrophobicContact CE2-CG2 4.37Å; L617-V620 HydrophobicContact CD1-CG2 4Å; V620-Y630 CarbonylContact C-O 3.49Å; V620-Y630 VanDerWaalsContact CA-O 3.31Å; V620-Y630 WeakPolarHBondContact CA-O 3.38Å; V620-Y630 WeakPolarHBondContact CG1-O 3.36Å; V620-F631 HydrophobicContact CB-CD1 4.38Å; V620-F631 HydrophobicContact CG1-CD1 3.95Å; V620-F631 HydrophobicContact CG1-CD2 4.32Å; V620-F631 HydrophobicContact CG1-CE1 3.84Å; V620-F631 HydrophobicContact CG1-CE2 4.22Å; V620-F631 HydrophobicContact CG1-CG 4.18Å; V620-F631 HydrophobicContact CG1-CZ 3.98Å; V620-F631 HydrophobicContact CG2-CD1 3.47Å; V620-F631 VanDerWaalsContact CG2-CD1 3.47Å; V620-F631 HydrophobicContact CG2-CE1 3.75Å; V620-F631 HydrophobicContact CG2-CG 4.2Å
621	V	93.8	Very high	90.6	Very high	3 Å²	3	41 Å²	41	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.9	173	80.1	0	0	0	0	111.1	Q480 L623 S629 Y630 F632 W657	Q480-V621 HydrophobicContact CB-CG2 4.16Å; V621-L623 HydrophobicContact CG1-CD2 4.28Å; V621-L623 HydrophobicContact CG1-CG 4.44Å; V621-L623 HydrophobicContact CG2-CD2 3.98Å; V621-S629 CarbonylContact O-C 3.58Å; V621-S629 WeakPolarHBondContact O-CA 3.15Å; V621-Y630 HydrophobicContact CG1-CD2 4.11Å; V621-Y630 HydrophobicContact CG1-CG 4.48Å; V621-Y630 PolarHBondContact N-O 2.85Å; V621-Y630 PolarHBondContact O-N 2.85Å; V621-F632 HydrophobicContact CB-CE2 4.16Å; V621-F632 HydrophobicContact CG1-CE2 3.64Å; V621-F632 HydrophobicContact CG1-CZ 3.93Å; V621-W657 HydrophobicContact CG1-CH2 3.69Å; V621-W657 HydrophobicContact CG1-CZ2 4.44Å; V621-W657 HydrophobicContact CG1-CZ3 4.23Å
622	D	91.6	Very high	91.1	Very high	18 Å²	18	35.6 Å²	35.6	10%	0.096	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	104.9	170	-173.5	-110.8	0	0	0	107.9	F572 S575 Q624 S629 N642	F572-D622 HydrophobicContact CD2-CB 3.8Å; F572-D622 HydrophobicContact CE2-CB 4.08Å; S575-D622 WeakPolarHBondContact CB-OD1 3.45Å; S575-D622 PolarHBondContact N-OD1 2.04Å; S575-D622 PolarHBondContact OG-OD1 2.94Å; D622-Q624 PolarHBondContact O-N 3.21Å; D622-S629 PolarHBondContact OD2-OG 3.39Å; D622-N642 PolarHBondContact OD2-ND2 3.06Å
623	L	87.3	Confident	91.6	Very high	17 Å²	17	36.1 Å²	36.1	9%	0.089	22%	0.215	C	C	.	.			trans	-75.4	125	-177.1	-62.4	-178.9	0	0	0	109.7	Q480 I485 P499 V621 G625 S626 Y630 W657	Q480-L623 HydrophobicContact CB-CD2 4.4Å; I485-L623 HydrophobicContact CD1-CD1 4.38Å; I485-L623 HydrophobicContact CD1-CD2 3.76Å; I485-L623 HydrophobicContact CG1-CD2 3.8Å; P499-L623 HydrophobicContact CG-CD1 3.91Å; V621-L623 HydrophobicContact CG1-CD2 4.28Å; V621-L623 HydrophobicContact CG1-CG 4.44Å; V621-L623 HydrophobicContact CG2-CD2 3.98Å; L623-G625 PolarHBondContact O-N 2.72Å; L623-S626 VanDerWaalsContact O-CB 3.3Å; L623-S626 WeakPolarHBondContact O-CB 3.15Å; L623-S626 PolarHBondContact O-N 3.16Å; L623-S626 PolarHBondContact O-OG 2.89Å; L623-Y630 HydrophobicContact CB-CE2 4.48Å; L623-Y630 HydrophobicContact CD1-CE2 3.99Å; L623-Y630 HydrophobicContact CG-CD2 4.42Å; L623-Y630 HydrophobicContact CG-CE2 4.06Å; L623-W657 HydrophobicContact CD1-CH2 3.73Å; L623-W657 HydrophobicContact CD1-CZ3 4.02Å; L623-W657 HydrophobicContact CD2-CH2 4.44Å; L623-W657 HydrophobicContact CD2-CZ3 4.39Å; L623-W657 HydrophobicContact CG-CH2 4.17Å
624	Q	80.1	Confident	91.7	Very high	158 Å²	158	36.7 Å²	36.7	74%	0.738	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	128.7	-177	-170.8	173.1	-1.2	0	0	111.4	D622 S626	D622-Q624 PolarHBondContact O-N 3.21Å; Q624-S626 PolarHBondContact O-N 3.22Å
625	G	78.5	Confident	91.7	Very high	81 Å²	81	36 Å²	36	84%	0.835	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	-7.2	179.6	0	0	0	0	0	115.5	L623	L623-G625 PolarHBondContact O-N 2.72Å
626	S	82.1	Confident	91.7	Very high	39 Å²	39	38.7 Å²	38.7	27%	0.273	23%	0.229	S	C	.	.	S	Bend	trans	-76.2	-25.4	-179	74.7	0	0	0	0	113.8	L623 Q624 H628	L623-S626 VanDerWaalsContact O-CB 3.3Å; L623-S626 WeakPolarHBondContact O-CB 3.15Å; L623-S626 PolarHBondContact O-N 3.16Å; L623-S626 PolarHBondContact O-OG 2.89Å; Q624-S626 PolarHBondContact O-N 3.22Å; S626-H628 PolarHBondContact O-CE1 2.94Å; S626-H628 PolarHBondContact O-N 2.7Å; S626-H628 PolarHBondContact O-ND1 3Å; S626-H628 PolarHBondContact OG-N 3.4Å; S626-H628 PolarHBondContact OG-O 2.86Å
627	G	87.6	Confident	91.8	Very high	38 Å²	38	35.2 Å²	35.2	39%	0.392	21%	0.209	S	C	.	.	S	Bend	trans	72.5	9.2	-172.7	0	0	0	0	0	114.7	N642	G627-N642 WeakPolarHBondContact O-CB 3.34Å; G627-N642 VanDerWaalsContact O-CG 3.32Å; G627-N642 PolarHBondContact O-N 2.82Å; G627-N642 VanDerWaalsContact O-N 3.1Å
628	H	91.6	Very high	91.9	Very high	40 Å²	40	36.4 Å²	36.4	19%	0.185	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.3	-176.2	-58.2	90.6	0	0	0	111.9	S626 Y630 K639 L640	S626-H628 PolarHBondContact O-CE1 2.94Å; S626-H628 PolarHBondContact O-N 2.7Å; S626-H628 PolarHBondContact O-ND1 3Å; S626-H628 PolarHBondContact OG-N 3.4Å; S626-H628 PolarHBondContact OG-O 2.86Å; H628-Y630 HydrophobicContact CB-CE2 3.99Å; H628-K639 HydrophobicContact CB-CG 4.17Å; H628-K639 WeakPolarHBondContact CD2-CE 3.36Å; H628-K639 WeakPolarHBondContact NE2-CE 3.44Å; H628-L640 VanDerWaalsContact CA-O 3.23Å; H628-L640 WeakPolarHBondContact CA-O 3.31Å; H628-L640 WeakPolarHBondContact CB-O 3.42Å
629	S	93.4	Very high	91.8	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	141.9	167.9	-55.7	0	0	0	0	109.6	W574 V621 D622 L640 N642	W574-S629 PolarHBondContact NE1-OG 2.89Å; V621-S629 CarbonylContact O-C 3.58Å; V621-S629 WeakPolarHBondContact O-CA 3.15Å; D622-S629 PolarHBondContact OD2-OG 3.39Å; S629-L640 PolarHBondContact N-O 3.46Å; S629-L640 PolarHBondContact O-N 3.23Å; S629-N642 PolarHBondContact N-OD1 3.12Å; S629-N642 VanDerWaalsContact N-OD1 3.12Å; S629-N642 PolarHBondContact OG-OD1 2.96Å
630	Y	94.9	Very high	91.6	Very high	24 Å²	24	36.8 Å²	36.8	9%	0.094	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.7	-177.2	-52.8	-101.3	0	0	0	109.1	V620 V621 L623 H628 F632 Y637 L638 K639 W657	V620-Y630 CarbonylContact C-O 3.49Å; V620-Y630 VanDerWaalsContact CA-O 3.31Å; V620-Y630 WeakPolarHBondContact CA-O 3.38Å; V620-Y630 WeakPolarHBondContact CG1-O 3.36Å; V621-Y630 HydrophobicContact CG1-CD2 4.11Å; V621-Y630 HydrophobicContact CG1-CG 4.48Å; V621-Y630 PolarHBondContact N-O 2.85Å; V621-Y630 PolarHBondContact O-N 2.85Å; L623-Y630 HydrophobicContact CB-CE2 4.48Å; L623-Y630 HydrophobicContact CD1-CE2 3.99Å; L623-Y630 HydrophobicContact CG-CD2 4.42Å; L623-Y630 HydrophobicContact CG-CE2 4.06Å; H628-Y630 HydrophobicContact CB-CE2 3.99Å; Y630-F632 WeakPolarHBondContact O-CE2 3.32Å; Y630-Y637 AromaticContact CD1-CD2 3.78Å; Y630-Y637 HydrophobicContact CD1-CD2 3.78Å; Y630-Y637 AromaticContact CD1-CE2 3.69Å; Y630-Y637 HydrophobicContact CD1-CE2 3.69Å; Y630-Y637 HydrophobicContact CE1-CE2 4.18Å; Y630-L638 CarbonylContact C-O 3.59Å; Y630-L638 WeakPolarHBondContact CA-O 3.14Å; Y630-K639 HydrophobicContact CD1-CB 3.92Å; Y630-K639 HydrophobicContact CD1-CD 4.32Å; Y630-K639 HydrophobicContact CD1-CG 3.79Å; Y630-K639 HydrophobicContact CE1-CB 4.06Å; Y630-K639 HydrophobicContact CE1-CD 3.59Å; Y630-K639 HydrophobicContact CE1-CG 3.52Å; Y630-W657 HydrophobicContact CD1-CH2 4.34Å; Y630-W657 AromaticContact CD1-CZ2 3.53Å; Y630-W657 HydrophobicContact CD1-CZ2 3.53Å; Y630-W657 AromaticContact CD2-CH2 3.95Å; Y630-W657 HydrophobicContact CD2-CH2 3.95Å; Y630-W657 AromaticContact CD2-CZ2 3.95Å; Y630-W657 HydrophobicContact CD2-CZ2 3.95Å; Y630-W657 AromaticContact CE1-CZ2 3.9Å; Y630-W657 HydrophobicContact CE1-CZ2 3.9Å; Y630-W657 HydrophobicContact CE2-CH2 4.26Å; Y630-W657 HydrophobicContact CE2-CZ2 4.34Å; Y630-W657 HydrophobicContact CG-CH2 4.01Å; Y630-W657 AromaticContact CG-CZ2 3.54Å; Y630-W657 HydrophobicContact CG-CZ2 3.54Å
631	F	96.3	Very high	91.3	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.1	-176.5	-70	-102.2	0	0	0	108.8	F572 F583 W610 I613 L617 V620 Y637 L638 L640	F572-F631 HydrophobicContact CE1-CZ 4.39Å; F572-F631 HydrophobicContact CZ-CZ 4.28Å; F583-F631 HydrophobicContact CE1-CE1 4.46Å; F583-F631 HydrophobicContact CZ-CE1 4.08Å; W610-F631 HydrophobicContact CD2-CZ 4.48Å; W610-F631 AromaticContact CE3-CZ 3.89Å; W610-F631 HydrophobicContact CE3-CZ 3.89Å; W610-F631 HydrophobicContact CH2-CZ 4.47Å; W610-F631 AromaticContact CZ3-CZ 3.88Å; W610-F631 HydrophobicContact CZ3-CZ 3.88Å; I613-F631 HydrophobicContact CD1-CB 3.99Å; I613-F631 HydrophobicContact CD1-CD1 4.04Å; I613-F631 HydrophobicContact CD1-CD2 3.73Å; I613-F631 HydrophobicContact CD1-CE1 4.48Å; I613-F631 HydrophobicContact CD1-CE2 4.2Å; I613-F631 HydrophobicContact CD1-CG 3.65Å; I613-F631 HydrophobicContact CG1-CD1 4.23Å; I613-F631 HydrophobicContact CG1-CE1 4.33Å; I613-F631 HydrophobicContact CG1-CG 4.34Å; I613-F631 HydrophobicContact CG2-CD1 3.64Å; I613-F631 HydrophobicContact CG2-CE1 4.04Å; I613-F631 HydrophobicContact CG2-CG 4.28Å; L617-F631 HydrophobicContact CD1-CD1 3.64Å; L617-F631 HydrophobicContact CD1-CE1 4.19Å; L617-F631 HydrophobicContact CD2-CB 4.19Å; L617-F631 HydrophobicContact CD2-CD1 4.33Å; V620-F631 HydrophobicContact CB-CD1 4.38Å; V620-F631 HydrophobicContact CG1-CD1 3.95Å; V620-F631 HydrophobicContact CG1-CD2 4.32Å; V620-F631 HydrophobicContact CG1-CE1 3.84Å; V620-F631 HydrophobicContact CG1-CE2 4.22Å; V620-F631 HydrophobicContact CG1-CG 4.18Å; V620-F631 HydrophobicContact CG1-CZ 3.98Å; V620-F631 HydrophobicContact CG2-CD1 3.47Å; V620-F631 VanDerWaalsContact CG2-CD1 3.47Å; V620-F631 HydrophobicContact CG2-CE1 3.75Å; V620-F631 HydrophobicContact CG2-CG 4.2Å; F631-Y637 CarbonylContact O-C 3.6Å; F631-Y637 WeakPolarHBondContact O-CA 3.43Å; F631-Y637 WeakPolarHBondContact O-CB 3.41Å; F631-L638 HydrophobicContact CB-CB 4.41Å; F631-L638 PolarHBondContact N-O 2.97Å; F631-L638 PolarHBondContact O-N 3.23Å; F631-L640 HydrophobicContact CD2-CB 4.28Å; F631-L640 HydrophobicContact CE2-CB 4.05Å; F631-L640 HydrophobicContact CE2-CD2 4.02Å
632	F	96.4	Very high	91	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.3	-172	-59.3	-93.8	0	0	0	111.1	I478 D618 A619 V621 Y630 Y637 I653 W657	I478-F632 HydrophobicContact CB-CE2 4.41Å; I478-F632 HydrophobicContact CD1-CB 4.39Å; I478-F632 HydrophobicContact CD1-CD1 3.67Å; I478-F632 HydrophobicContact CD1-CD2 4.1Å; I478-F632 HydrophobicContact CD1-CE1 3.87Å; I478-F632 HydrophobicContact CD1-CE2 4.26Å; I478-F632 HydrophobicContact CD1-CG 3.8Å; I478-F632 HydrophobicContact CD1-CZ 4.15Å; I478-F632 HydrophobicContact CG2-CE2 4.28Å; I478-F632 HydrophobicContact CG2-CZ 4.31Å; D618-F632 PolarHBondContact N-O 2.87Å; A619-F632 HydrophobicContact CB-CB 4.12Å; A619-F632 HydrophobicContact CB-CD2 3.98Å; A619-F632 HydrophobicContact CB-CG 4.36Å; A619-F632 PolarHBondContact O-N 2.88Å; V621-F632 HydrophobicContact CB-CE2 4.16Å; V621-F632 HydrophobicContact CG1-CE2 3.64Å; V621-F632 HydrophobicContact CG1-CZ 3.93Å; Y630-F632 WeakPolarHBondContact O-CE2 3.32Å; F632-Y637 HydrophobicContact CD1-CG 4.47Å; F632-Y637 HydrophobicContact CE1-CG 4.25Å; F632-I653 HydrophobicContact CB-CD1 4.29Å; F632-I653 HydrophobicContact CD1-CD1 3.67Å; F632-I653 HydrophobicContact CD1-CG1 3.76Å; F632-I653 HydrophobicContact CE1-CG1 4.27Å; F632-I653 HydrophobicContact CG-CD1 4.46Å; F632-W657 HydrophobicContact CE1-CD2 4.25Å; F632-W657 AromaticContact CE1-CE2 3.88Å; F632-W657 HydrophobicContact CE1-CG 4.44Å; F632-W657 HydrophobicContact CE1-CZ2 4.25Å; F632-W657 AromaticContact CE1-NE1 3.83Å; F632-W657 HydrophobicContact CZ-CD2 4.25Å; F632-W657 AromaticContact CZ-CE2 3.79Å; F632-W657 HydrophobicContact CZ-CH2 4.08Å; F632-W657 AromaticContact CZ-CZ2 3.71Å; F632-W657 HydrophobicContact CZ-CZ2 3.71Å; F632-W657 HydrophobicContact CZ-CZ3 4.49Å
633	K	95.6	Very high	90.8	Very high	82 Å²	82	47.6 Å²	47.6	36%	0.357	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	125.6	172.7	-174	71.3	-160.8	160.6	0	111.1	P614 N616 D618 A635 Y636	P614-K633 HydrophobicContact CG-CB 4.16Å; P614-K633 HydrophobicContact CG-CG 4.34Å; N616-K633 WeakPolarHBondContact O-CD 2.99Å; N616-K633 VanDerWaalsContact O-CE 3.27Å; N616-K633 WeakPolarHBondContact O-CE 3.37Å; N616-K633 PolarHBondContact O-NZ 3.39Å; D618-K633 IonicContact OD1-NZ 3.72Å; D618-K633 PolarHBondContact OD1-NZ 2.96Å; D618-K633 VanDerWaalsContact OD2-CA 3.28Å; D618-K633 WeakPolarHBondContact OD2-CA 3.43Å; D618-K633 IonicContact OD2-NZ 3.1Å; K633-A635 PolarHBondContact O-N 3Å; K633-Y636 PolarHBondContact N-O 2.96Å; K633-Y636 PolarHBondContact O-N 2.82Å; K633-Y636 VanDerWaalsContact O-N 3.15Å; K633-Y636 VanDerWaalsContact O-O 3.08Å
634	G	93.8	Very high	90.7	Very high	24 Å²	24	49 Å²	49	25%	0.247	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	58	-128.3	-174.6	0	0	0	0	0	110.8	D618 Y636 I653	D618-G634 PolarHBondContact OD2-N 3.21Å; G634-Y636 VanDerWaalsContact C-N 3.33Å; G634-I653 WeakPolarHBondContact O-CD1 3.45Å
635	A	92.4	Very high	90.8	Very high	33 Å²	33	43.8 Å²	43.8	27%	0.273	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4.5	178.5	0	0	0	0	0	114.2	K633 I653	K633-A635 PolarHBondContact O-N 3Å; A635-I653 WeakPolarHBondContact O-CG1 3.33Å; A635-I653 PolarHBondContact O-N 3.24Å
636	Y	94.4	Very high	91.1	Very high	125 Å²	125	46.9 Å²	46.9	49%	0.49	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	162.6	-168.9	-53.3	-80.9	0	0	0	112.9	K633 G634 F650 G651	K633-Y636 PolarHBondContact N-O 2.96Å; K633-Y636 PolarHBondContact O-N 2.82Å; K633-Y636 VanDerWaalsContact O-N 3.15Å; K633-Y636 VanDerWaalsContact O-O 3.08Å; G634-Y636 VanDerWaalsContact C-N 3.33Å; Y636-F650 AromaticContact CD1-CE1 3.61Å; Y636-F650 HydrophobicContact CD1-CE1 3.61Å; Y636-F650 AromaticContact CD1-CZ 3.69Å; Y636-F650 HydrophobicContact CD1-CZ 3.69Å; Y636-F650 HydrophobicContact CD2-CZ 4.07Å; Y636-F650 HydrophobicContact CE1-CE1 4.25Å; Y636-F650 AromaticContact CG-CE1 3.88Å; Y636-F650 HydrophobicContact CG-CE1 3.88Å; Y636-F650 HydrophobicContact CG-CE2 4.32Å; Y636-F650 AromaticContact CG-CZ 3.43Å; Y636-F650 HydrophobicContact CG-CZ 3.43Å; Y636-F650 VanDerWaalsContact CG-CZ 3.43Å; Y636-G651 CarbonylContact C-O 3.56Å; Y636-G651 VanDerWaalsContact CA-O 3.32Å; Y636-G651 WeakPolarHBondContact CA-O 3.2Å; Y636-G651 WeakPolarHBondContact CB-O 3.38Å
637	Y	95.1	Very high	91.2	Very high	10 Å²	10	47.5 Å²	47.5	4%	0.039	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.4	173.3	76.4	-81.5	0	0	0	112.4	Y630 F631 F632 K639 K649 F650 G651 I653 D656 W657	Y630-Y637 AromaticContact CD1-CD2 3.78Å; Y630-Y637 HydrophobicContact CD1-CD2 3.78Å; Y630-Y637 AromaticContact CD1-CE2 3.69Å; Y630-Y637 HydrophobicContact CD1-CE2 3.69Å; Y630-Y637 HydrophobicContact CE1-CE2 4.18Å; F631-Y637 CarbonylContact O-C 3.6Å; F631-Y637 WeakPolarHBondContact O-CA 3.43Å; F631-Y637 WeakPolarHBondContact O-CB 3.41Å; F632-Y637 HydrophobicContact CD1-CG 4.47Å; F632-Y637 HydrophobicContact CE1-CG 4.25Å; Y637-K639 HydrophobicContact CE2-CB 4.16Å; Y637-K649 WeakPolarHBondContact OH-CE 3.38Å; Y637-K649 PolarHBondContact OH-NZ 3.28Å; Y637-K649 VanDerWaalsContact OH-NZ 3.12Å; Y637-F650 WeakPolarHBondContact O-CA 3.47Å; Y637-G651 WeakPolarHBondContact CD1-O 3.48Å; Y637-G651 VanDerWaalsContact CE1-CA 3.44Å; Y637-G651 PolarHBondContact N-O 2.88Å; Y637-G651 PolarHBondContact O-N 2.88Å; Y637-I653 HydrophobicContact CD1-CG1 4.42Å; Y637-D656 HydrophobicContact CE1-CB 3.71Å; Y637-D656 VanDerWaalsContact CE1-OD2 3.24Å; Y637-D656 WeakPolarHBondContact CE1-OD2 3.38Å; Y637-D656 PolarHBondContact OH-OD2 2.95Å; Y637-W657 AromaticContact CD1-CD1 3.73Å; Y637-W657 AromaticContact CD1-NE1 3.46Å; Y637-W657 AromaticContact CD2-NE1 3.85Å; Y637-W657 AromaticContact CE1-CD1 3.65Å; Y637-W657 AromaticContact CE1-NE1 3.42Å; Y637-W657 AromaticContact CE2-NE1 3.8Å; Y637-W657 AromaticContact CG-NE1 3.7Å; Y637-W657 AromaticContact CZ-NE1 3.6Å
638	L	95.1	Very high	91.2	Very high	27 Å²	27	49.3 Å²	49.3	14%	0.141	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.8	171.9	-77.4	148.7	0	0	0	109	A612 I613 Y630 F631 F650	A612-L638 WeakPolarHBondContact O-CD1 3.03Å; I613-L638 HydrophobicContact CD1-CB 4.44Å; Y630-L638 CarbonylContact C-O 3.59Å; Y630-L638 WeakPolarHBondContact CA-O 3.14Å; F631-L638 HydrophobicContact CB-CB 4.41Å; F631-L638 PolarHBondContact N-O 2.97Å; F631-L638 PolarHBondContact O-N 3.23Å; L638-F650 HydrophobicContact CD2-CD2 3.92Å; L638-F650 HydrophobicContact CG-CD2 3.99Å
639	K	94.1	Very high	91.1	Very high	46 Å²	46	51 Å²	51	20%	0.2	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.2	173.4	-174.6	178.3	176.1	169.5	0	109.4	H628 Y630 Y637 S647 V648 K649	H628-K639 HydrophobicContact CB-CG 4.17Å; H628-K639 WeakPolarHBondContact CD2-CE 3.36Å; H628-K639 WeakPolarHBondContact NE2-CE 3.44Å; Y630-K639 HydrophobicContact CD1-CB 3.92Å; Y630-K639 HydrophobicContact CD1-CD 4.32Å; Y630-K639 HydrophobicContact CD1-CG 3.79Å; Y630-K639 HydrophobicContact CE1-CB 4.06Å; Y630-K639 HydrophobicContact CE1-CD 3.59Å; Y630-K639 HydrophobicContact CE1-CG 3.52Å; Y637-K639 HydrophobicContact CE2-CB 4.16Å; K639-S647 WeakPolarHBondContact O-CA 3.4Å; K639-V648 HydrophobicContact CB-CG2 3.96Å; K639-V648 HydrophobicContact CD-CG2 3.8Å; K639-V648 HydrophobicContact CG-CG2 3.59Å; K639-V648 VanDerWaalsContact O-CG2 3.3Å; K639-V648 WeakPolarHBondContact O-CG2 3.43Å; K639-V648 PolarHBondContact O-N 3.24Å; K639-K649 HydrophobicContact CB-CB 3.97Å; K639-K649 HydrophobicContact CD-CB 4.35Å; K639-K649 PolarHBondContact N-O 2.81Å
640	L	92.3	Very high	91.1	Very high	1 Å²	1	57 Å²	57	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.5	178.3	-157.6	83.9	0	0	0	110.2	W610 I613 H628 S629 F631 L645	W610-L640 HydrophobicContact CE3-CD2 4.03Å; W610-L640 HydrophobicContact CZ3-CD2 4.04Å; I613-L640 HydrophobicContact CD1-CD1 4.37Å; H628-L640 VanDerWaalsContact CA-O 3.23Å; H628-L640 WeakPolarHBondContact CA-O 3.31Å; H628-L640 WeakPolarHBondContact CB-O 3.42Å; S629-L640 PolarHBondContact N-O 3.46Å; S629-L640 PolarHBondContact O-N 3.23Å; F631-L640 HydrophobicContact CD2-CB 4.28Å; F631-L640 HydrophobicContact CE2-CB 4.05Å; F631-L640 HydrophobicContact CE2-CD2 4.02Å; L640-L645 HydrophobicContact CD2-CB 4.33Å; L640-L645 HydrophobicContact CD2-CD2 3.97Å
641	E	91	Very high	91	Very high	72 Å²	72	56.2 Å²	56.2	34%	0.336	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.9	170.9	-175.8	-179.6	-124	0	0	110.7	Q643 S644 L645 K646 V648	E641-Q643 VanDerWaalsContact C-N 3.25Å; E641-Q643 PolarHBondContact O-N 2.8Å; E641-S644 PolarHBondContact O-N 3.07Å; E641-S644 WeakPolarHBondContact OE2-CB 3.44Å; E641-S644 PolarHBondContact OE2-OG 3.17Å; E641-L645 WeakPolarHBondContact O-CA 3.19Å; E641-L645 PolarHBondContact O-N 3.31Å; E641-K646 PolarHBondContact N-O 3.22Å; E641-K646 VanDerWaalsContact N-O 3.11Å; E641-V648 HydrophobicContact CB-CG1 3.97Å
642	N	88.1	Confident	90.8	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.043	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-29	-170.4	-70.7	-8.7	0	0	0	113.4	W574 S575 K576 D622 G627 S629	W574-N642 PolarHBondContact NE1-ND2 3.08Å; W574-N642 PolarHBondContact NE1-OD1 2.85Å; W574-N642 VanDerWaalsContact NE1-OD1 3.1Å; S575-N642 PolarHBondContact OG-ND2 3.12Å; K576-N642 WeakPolarHBondContact CD-O 3.24Å; K576-N642 PolarHBondContact NZ-O 2.72Å; D622-N642 PolarHBondContact OD2-ND2 3.06Å; G627-N642 WeakPolarHBondContact O-CB 3.34Å; G627-N642 VanDerWaalsContact O-CG 3.32Å; G627-N642 PolarHBondContact O-N 2.82Å; G627-N642 VanDerWaalsContact O-N 3.1Å; S629-N642 PolarHBondContact N-OD1 3.12Å; S629-N642 VanDerWaalsContact N-OD1 3.12Å; S629-N642 PolarHBondContact OG-OD1 2.96Å
643	Q	86.1	Confident	90.7	Very high	170 Å²	170	58 Å²	58	79%	0.794	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-50.2	-178.7	-65.1	-173.5	5.1	0	0	111.7	E641	E641-Q643 VanDerWaalsContact C-N 3.25Å; E641-Q643 PolarHBondContact O-N 2.8Å
644	S	85.4	Confident	90.4	Very high	48 Å²	48	56.7 Å²	56.7	34%	0.336	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-16.3	-171.3	66.9	0	0	0	0	114.4	E641 K646	E641-S644 PolarHBondContact O-N 3.07Å; E641-S644 WeakPolarHBondContact OE2-CB 3.44Å; E641-S644 PolarHBondContact OE2-OG 3.17Å; S644-K646 PolarHBondContact O-N 3.15Å; S644-K646 PolarHBondContact OG-N 2.96Å
645	L	82.4	Confident	90.2	Very high	47 Å²	47	58.5 Å²	58.5	25%	0.246	30%	0.299	C	S	.	.			trans	53.3	28.7	-170.4	-49.4	-174.7	0	0	0	113.1	W574 L640 E641	W574-L645 HydrophobicContact CH2-CD1 4.31Å; W574-L645 HydrophobicContact CH2-CD2 3.37Å; W574-L645 HydrophobicContact CH2-CG 4.46Å; W574-L645 HydrophobicContact CZ2-CD2 3.36Å; L640-L645 HydrophobicContact CD2-CB 4.33Å; L640-L645 HydrophobicContact CD2-CD2 3.97Å; E641-L645 WeakPolarHBondContact O-CA 3.19Å; E641-L645 PolarHBondContact O-N 3.31Å
646	K	85.9	Confident	90.2	Very high	147 Å²	147	58.7 Å²	58.7	64%	0.639	30%	0.295	S	S	*	.			trans	-93.6	138	172.9	-66.7	-175.8	178.1	-178.7	0	109.3	E641 S644 V648	E641-K646 PolarHBondContact N-O 3.22Å; E641-K646 VanDerWaalsContact N-O 3.11Å; S644-K646 PolarHBondContact O-N 3.15Å; S644-K646 PolarHBondContact OG-N 2.96Å; K646-V648 PolarHBondContact O-N 2.97Å
647	S	84	Confident	90	Very high	51 Å²	51	53.2 Å²	53.2	36%	0.357	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	125.5	167.1	179.9	0	0	0	0	108.7	K639	K639-S647 WeakPolarHBondContact O-CA 3.4Å
648	V	86.7	Confident	89.8	Confident	76 Å²	76	53.1 Å²	53.1	46%	0.461	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-21.6	-176.4	-66.7	0	0	0	0	112.8	K639 E641 K646	K639-V648 HydrophobicContact CB-CG2 3.96Å; K639-V648 HydrophobicContact CD-CG2 3.8Å; K639-V648 HydrophobicContact CG-CG2 3.59Å; K639-V648 VanDerWaalsContact O-CG2 3.3Å; K639-V648 WeakPolarHBondContact O-CG2 3.43Å; K639-V648 PolarHBondContact O-N 3.24Å; E641-V648 HydrophobicContact CB-CG1 3.97Å; K646-V648 PolarHBondContact O-N 2.97Å
649	K	89.9	Confident	89.4	Confident	75 Å²	75	53.5 Å²	53.5	33%	0.326	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	139.9	177.8	-176.9	-179.7	174.2	-163.3	0	110.8	Y637 K639 D656	Y637-K649 WeakPolarHBondContact OH-CE 3.38Å; Y637-K649 PolarHBondContact OH-NZ 3.28Å; Y637-K649 VanDerWaalsContact OH-NZ 3.12Å; K639-K649 HydrophobicContact CB-CB 3.97Å; K639-K649 HydrophobicContact CD-CB 4.35Å; K639-K649 PolarHBondContact N-O 2.81Å; K649-D656 WeakPolarHBondContact CE-OD2 3.33Å; K649-D656 VanDerWaalsContact NZ-CG 3.31Å; K649-D656 IonicContact NZ-OD1 3.5Å; K649-D656 PolarHBondContact NZ-OD1 3.06Å; K649-D656 IonicContact NZ-OD2 3.04Å; K649-D656 PolarHBondContact NZ-OD2 3.49Å
650	F	92.7	Very high	89	Confident	127 Å²	127	54.7 Å²	54.7	56%	0.557	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.1	159.9	-176.2	-97.1	0	0	0	108.4	Y636 Y637 L638	Y636-F650 AromaticContact CD1-CE1 3.61Å; Y636-F650 HydrophobicContact CD1-CE1 3.61Å; Y636-F650 AromaticContact CD1-CZ 3.69Å; Y636-F650 HydrophobicContact CD1-CZ 3.69Å; Y636-F650 HydrophobicContact CD2-CZ 4.07Å; Y636-F650 HydrophobicContact CE1-CE1 4.25Å; Y636-F650 AromaticContact CG-CE1 3.88Å; Y636-F650 HydrophobicContact CG-CE1 3.88Å; Y636-F650 HydrophobicContact CG-CE2 4.32Å; Y636-F650 AromaticContact CG-CZ 3.43Å; Y636-F650 HydrophobicContact CG-CZ 3.43Å; Y636-F650 VanDerWaalsContact CG-CZ 3.43Å; Y637-F650 WeakPolarHBondContact O-CA 3.47Å; L638-F650 HydrophobicContact CD2-CD2 3.92Å; L638-F650 HydrophobicContact CG-CD2 3.99Å
651	G	92.9	Very high	88.9	Confident	8 Å²	8	57.4 Å²	57.4	8%	0.082	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	168.4	-176.1	0	0	0	0	0	113.7	Y636 Y637	Y636-G651 CarbonylContact C-O 3.56Å; Y636-G651 VanDerWaalsContact CA-O 3.32Å; Y636-G651 WeakPolarHBondContact CA-O 3.2Å; Y636-G651 WeakPolarHBondContact CB-O 3.38Å; Y637-G651 WeakPolarHBondContact CD1-O 3.48Å; Y637-G651 VanDerWaalsContact CE1-CA 3.44Å; Y637-G651 PolarHBondContact N-O 2.88Å; Y637-G651 PolarHBondContact O-N 2.88Å
652	S	93.5	Very high	88.8	Confident	34 Å²	34	56.6 Å²	56.6	24%	0.238	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.6	176.1	170.3	0	0	0	0	110	K654 S655 D656	S652-K654 PolarHBondContact OG-N 3.33Å; S652-S655 PolarHBondContact OG-N 2.82Å; S652-D656 VanDerWaalsContact O-CB 3.28Å; S652-D656 WeakPolarHBondContact O-CB 3.34Å; S652-D656 PolarHBondContact O-N 2.72Å
653	I	93.1	Very high	88.8	Confident	7 Å²	7	59.3 Å²	59.3	4%	0.036	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-48.5	175.7	-59.2	174.9	0	0	0	109.4	F475 F632 G634 A635 Y637 S655 W657 L658	F475-I653 HydrophobicContact CD2-CG2 4.41Å; F475-I653 HydrophobicContact CE2-CG2 4.04Å; F632-I653 HydrophobicContact CB-CD1 4.29Å; F632-I653 HydrophobicContact CD1-CD1 3.67Å; F632-I653 HydrophobicContact CD1-CG1 3.76Å; F632-I653 HydrophobicContact CE1-CG1 4.27Å; F632-I653 HydrophobicContact CG-CD1 4.46Å; G634-I653 WeakPolarHBondContact O-CD1 3.45Å; A635-I653 WeakPolarHBondContact O-CG1 3.33Å; A635-I653 PolarHBondContact O-N 3.24Å; Y637-I653 HydrophobicContact CD1-CG1 4.42Å; I653-S655 VanDerWaalsContact C-N 3.33Å; I653-S655 PolarHBondContact O-N 3.26Å; I653-W657 HydrophobicContact CG2-CB 4.36Å; I653-W657 WeakPolarHBondContact O-CA 3.4Å; I653-W657 VanDerWaalsContact O-CB 3.28Å; I653-W657 WeakPolarHBondContact O-CB 3.39Å; I653-W657 PolarHBondContact O-N 2.88Å; I653-L658 HydrophobicContact CG2-CG 4.41Å; I653-L658 PolarHBondContact O-N 2.64Å
654	K	90.5	Very high	89	Confident	55 Å²	55	52.8 Å²	52.8	24%	0.239	30%	0.298	C	S	.	.	H	α-helix	trans	-55.9	-45.3	-177.4	-172.4	168.1	175.4	162.3	0	112.4	C469 D472 S652 L658 C660	C469-K654 WeakPolarHBondContact O-CE 3.36Å; C469-K654 PolarHBondContact O-NZ 3.47Å; D472-K654 IonicContact OD1-NZ 3.59Å; D472-K654 PolarHBondContact OD1-NZ 2.74Å; D472-K654 VanDerWaalsContact OD1-NZ 3.1Å; S652-K654 PolarHBondContact OG-N 3.33Å; K654-L658 WeakPolarHBondContact O-CB 3.33Å; K654-C660 HydrophobicContact CG-CB 3.77Å; K654-C660 WeakPolarHBondContact O-CB 3.49Å; K654-C660 PolarHBondContact O-N 3.1Å; K654-C660 PolarHBondContact O-SG 3.13Å; K654-C660 VanDerWaalsContact O-SG 3.4Å
655	S	89.3	Confident	89.2	Confident	62 Å²	62	53.1 Å²	53.1	43%	0.434	30%	0.296	S	S	.	.	H	α-helix	trans	-85.7	-40.5	-176.3	-53.1	0	0	0	0	114	S652 I653 C660	S652-S655 PolarHBondContact OG-N 2.82Å; I653-S655 VanDerWaalsContact C-N 3.33Å; I653-S655 PolarHBondContact O-N 3.26Å; S655-C660 VanDerWaalsContact CA-OXT 3.3Å; S655-C660 WeakPolarHBondContact CA-OXT 3.45Å
656	D	91.4	Very high	89.6	Confident	37 Å²	37	53.5 Å²	53.5	20%	0.198	30%	0.299	C	S	.	.	H	α-helix	trans	-88.6	-20.6	-173.5	-70.4	-38.4	0	0	0	113.4	R500 Y637 K649 S652	R500-D656 WeakPolarHBondContact CG-O 3.37Å; Y637-D656 HydrophobicContact CE1-CB 3.71Å; Y637-D656 VanDerWaalsContact CE1-OD2 3.24Å; Y637-D656 WeakPolarHBondContact CE1-OD2 3.38Å; Y637-D656 PolarHBondContact OH-OD2 2.95Å; K649-D656 WeakPolarHBondContact CE-OD2 3.33Å; K649-D656 VanDerWaalsContact NZ-CG 3.31Å; K649-D656 IonicContact NZ-OD1 3.5Å; K649-D656 PolarHBondContact NZ-OD1 3.06Å; K649-D656 IonicContact NZ-OD2 3.04Å; K649-D656 PolarHBondContact NZ-OD2 3.49Å; S652-D656 VanDerWaalsContact O-CB 3.28Å; S652-D656 WeakPolarHBondContact O-CB 3.34Å; S652-D656 PolarHBondContact O-N 2.72Å
657	W	91.5	Very high	89.9	Confident	9 Å²	9	46.8 Å²	46.8	3%	0.034	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-33.6	-173.6	-69.2	83.5	0	0	0	114.5	I485 F487 V621 L623 Y630 F632 Y637 I653	I485-W657 HydrophobicContact CD1-CZ3 4.01Å; I485-W657 HydrophobicContact CG2-CZ3 4.39Å; F487-W657 HydrophobicContact CE1-CB 4.16Å; F487-W657 HydrophobicContact CZ-CB 4.04Å; F487-W657 HydrophobicContact CZ-CE3 4.12Å; V621-W657 HydrophobicContact CG1-CH2 3.69Å; V621-W657 HydrophobicContact CG1-CZ2 4.44Å; V621-W657 HydrophobicContact CG1-CZ3 4.23Å; L623-W657 HydrophobicContact CD1-CH2 3.73Å; L623-W657 HydrophobicContact CD1-CZ3 4.02Å; L623-W657 HydrophobicContact CD2-CH2 4.44Å; L623-W657 HydrophobicContact CD2-CZ3 4.39Å; L623-W657 HydrophobicContact CG-CH2 4.17Å; Y630-W657 HydrophobicContact CD1-CH2 4.34Å; Y630-W657 AromaticContact CD1-CZ2 3.53Å; Y630-W657 HydrophobicContact CD1-CZ2 3.53Å; Y630-W657 AromaticContact CD2-CH2 3.95Å; Y630-W657 HydrophobicContact CD2-CH2 3.95Å; Y630-W657 AromaticContact CD2-CZ2 3.95Å; Y630-W657 HydrophobicContact CD2-CZ2 3.95Å; Y630-W657 AromaticContact CE1-CZ2 3.9Å; Y630-W657 HydrophobicContact CE1-CZ2 3.9Å; Y630-W657 HydrophobicContact CE2-CH2 4.26Å; Y630-W657 HydrophobicContact CE2-CZ2 4.34Å; Y630-W657 HydrophobicContact CG-CH2 4.01Å; Y630-W657 AromaticContact CG-CZ2 3.54Å; Y630-W657 HydrophobicContact CG-CZ2 3.54Å; F632-W657 HydrophobicContact CE1-CD2 4.25Å; F632-W657 AromaticContact CE1-CE2 3.88Å; F632-W657 HydrophobicContact CE1-CG 4.44Å; F632-W657 HydrophobicContact CE1-CZ2 4.25Å; F632-W657 AromaticContact CE1-NE1 3.83Å; F632-W657 HydrophobicContact CZ-CD2 4.25Å; F632-W657 AromaticContact CZ-CE2 3.79Å; F632-W657 HydrophobicContact CZ-CH2 4.08Å; F632-W657 AromaticContact CZ-CZ2 3.71Å; F632-W657 HydrophobicContact CZ-CZ2 3.71Å; F632-W657 HydrophobicContact CZ-CZ3 4.49Å; Y637-W657 AromaticContact CD1-CD1 3.73Å; Y637-W657 AromaticContact CD1-NE1 3.46Å; Y637-W657 AromaticContact CD2-NE1 3.85Å; Y637-W657 AromaticContact CE1-CD1 3.65Å; Y637-W657 AromaticContact CE1-NE1 3.42Å; Y637-W657 AromaticContact CE2-NE1 3.8Å; Y637-W657 AromaticContact CG-NE1 3.7Å; Y637-W657 AromaticContact CZ-NE1 3.6Å; I653-W657 HydrophobicContact CG2-CB 4.36Å; I653-W657 WeakPolarHBondContact O-CA 3.4Å; I653-W657 VanDerWaalsContact O-CB 3.28Å; I653-W657 WeakPolarHBondContact O-CB 3.39Å; I653-W657 PolarHBondContact O-N 2.88Å
658	L	90.1	Very high	90.4	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.042	27%	0.268	C	S	.	.	S	Bend	trans	-98.5	-0.1	-173.6	-53.6	-178.6	0	0	0	114.2	I468 F475 F487 P503 I653 K654 C660	I468-L658 HydrophobicContact CB-CD1 4.37Å; I468-L658 HydrophobicContact CG2-CD1 4.36Å; F475-L658 HydrophobicContact CE2-CD1 3.94Å; F475-L658 HydrophobicContact CE2-CD2 4.21Å; F475-L658 HydrophobicContact CZ-CD1 3.84Å; F475-L658 HydrophobicContact CZ-CD2 4.02Å; F487-L658 HydrophobicContact CD1-CD2 3.92Å; F487-L658 HydrophobicContact CD2-CD2 4.24Å; F487-L658 HydrophobicContact CE1-CD2 3.77Å; F487-L658 HydrophobicContact CE2-CD2 4.1Å; F487-L658 HydrophobicContact CG-CD2 4.16Å; F487-L658 HydrophobicContact CZ-CD2 3.87Å; P503-L658 WeakPolarHBondContact CD-O 3.04Å; P503-L658 HydrophobicContact CG-CD2 4.17Å; I653-L658 HydrophobicContact CG2-CG 4.41Å; I653-L658 PolarHBondContact O-N 2.64Å; K654-L658 WeakPolarHBondContact O-CB 3.33Å; L658-C660 PolarHBondContact O-N 2.79Å
659	G	86.2	Confident	90.7	Very high	35 Å²	35	44 Å²	44	36%	0.361	25%	0.252	S	S	.	.			trans	65.7	25.7	-179.8	0	0	0	0	0	113.8	R500	R500-G659 WeakPolarHBondContact O-CA 3.36Å
660	C	86.9	Confident	90.7	Very high	71 Å²	71	41.2 Å²	41.2	48%	0.48	25%	0.245	S	C	.	.			trans	-92.2	0	161.8	-25.9	0	0	0	0	109.1	C469 K654 S655 L658	C469-C660 WeakPolarHBondContact CA-SG 3.24Å; C469-C660 HydrophobicContact CB-CB 3.77Å; C469-C660 WeakPolarHBondContact CB-SG 2.95Å; C469-C660 WeakPolarHBondContact SG-CB 3.33Å; C469-C660 CovalentContact SG-SG 2.03Å; C469-C660 PolarHBondContact SG-SG 3.3Å; K654-C660 HydrophobicContact CG-CB 3.77Å; K654-C660 WeakPolarHBondContact O-CB 3.49Å; K654-C660 PolarHBondContact O-N 3.1Å; K654-C660 PolarHBondContact O-SG 3.13Å; K654-C660 VanDerWaalsContact O-SG 3.4Å; S655-C660 VanDerWaalsContact CA-OXT 3.3Å; S655-C660 WeakPolarHBondContact CA-OXT 3.45Å; L658-C660 PolarHBondContact O-N 2.79Å

Retrieved 660 of 660 residues in 130.1 ms (Link to these results)

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