A0A087YDR3_POEFO Loading...

Podocan

AlphaFold DB , UniProt , Accession A0A087YDR3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 587 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	29.5	Very low	29.7	Very low	231 Å²	231	157.4 Å²	157.4	100%	1.138	82%	0.816	S	S	*	*				0	114.6	0	-78.3	-176.3	-174.3	0	0	106.7
2	D	24.9	Very low	29.8	Very low	167 Å²	167	155.8 Å²	155.8	89%	0.893	80%	0.798	S	S	*	*			trans	-69.8	138.6	-161.9	-64.7	-58.2	0	0	0	114.4
3	F	23.5	Very low	30.1	Very low	192 Å²	192	150.2 Å²	150.2	84%	0.842	78%	0.782	S	S	*	*			trans	-94.3	132.2	169	-82.2	-90.8	0	0	0	109.7	K5	F3-K5 PolarHBondContact O-N 3.39Å; F3-K5 VanDerWaalsContact O-N 3.16Å
4	P	29.3	Very low	30.7	Very low	125 Å²	125	142 Å²	142	81%	0.812	74%	0.741	S	S	*	*			trans	-80.8	101.9	176.1	30.5	-29.6	0	0	0	110.7	H6	P4-H6 PolarHBondContact O-N 3.43Å
5	K	30	Very low	31	Very low	196 Å²	196	141.5 Å²	141.5	85%	0.852	74%	0.736	S	S	*	*			trans	-76.4	79.5	165.2	-72.5	178.7	175	178.9	0	110.3	F3	F3-K5 PolarHBondContact O-N 3.39Å; F3-K5 VanDerWaalsContact O-N 3.16Å
6	H	28.5	Very low	31.2	Very low	189 Å²	189	139.9 Å²	139.9	88%	0.875	73%	0.728	S	S	*	*			trans	-150.5	18	170.7	-96	-55.6	0	0	0	116.7	P4	P4-H6 PolarHBondContact O-N 3.43Å
7	S	33.6	Very low	31.5	Very low	110 Å²	110	138 Å²	138	77%	0.769	72%	0.718	S	S	*	*	S	Bend	trans	-126.9	12.6	-179.4	-141.7	0	0	0	0	115.6
8	I	31.9	Very low	31.8	Very low	122 Å²	122	134.9 Å²	134.9	63%	0.626	71%	0.706	S	S	*	*	S	Bend	trans	-105.9	-23.5	-176.6	-60.4	174.1	0	0	0	112	Q10 F12	I8-Q10 PolarHBondContact O-N 3.16Å; I8-F12 HydrophobicContact CG2-CD2 3.91Å; I8-F12 HydrophobicContact CG2-CE2 3.88Å; I8-F12 WeakPolarHBondContact O-CD2 3Å
9	L	29.6	Very low	31.6	Very low	164 Å²	164	140.4 Å²	140.4	86%	0.859	72%	0.717	S	S	*	*	H	α-helix	trans	-76.7	-22.3	-177	-117.9	81	0	0	0	115.2
10	Q	32	Very low	31.4	Very low	176 Å²	176	140.9 Å²	140.9	82%	0.822	72%	0.718	S	S	*	*	H	α-helix	trans	-87.2	-19	178.5	-77.7	-176.6	-24.4	0	0	113.7	I8	I8-Q10 PolarHBondContact O-N 3.16Å
11	A	33.6	Very low	31.5	Very low	59 Å²	59	140.7 Å²	140.7	49%	0.488	72%	0.718	S	S	.	*	H	α-helix	trans	-86	-24.3	178.4	0	0	0	0	0	113
12	F	30.6	Very low	31.6	Very low	138 Å²	138	135.8 Å²	135.8	61%	0.605	70%	0.701	S	S	*	*	H	α-helix	trans	-78.5	-23.6	177.6	-92.5	-86.9	0	0	0	113.6	I8 V14	I8-F12 HydrophobicContact CG2-CD2 3.91Å; I8-F12 HydrophobicContact CG2-CE2 3.88Å; I8-F12 WeakPolarHBondContact O-CD2 3Å; F12-V14 VanDerWaalsContact C-N 3.32Å; F12-V14 PolarHBondContact O-N 2.03Å
13	S	34	Very low	31.6	Very low	83 Å²	83	139.7 Å²	139.7	58%	0.58	70%	0.703	S	S	*	*	H	α-helix	trans	-72.9	-19.7	179.7	-173.4	0	0	0	0	114.1
14	V	39.3	Very low	31.7	Very low	36 Å²	36	136.6 Å²	136.6	22%	0.218	70%	0.704	C	S	.	*	H	α-helix	trans	-102	-28.2	-176.9	-173.1	0	0	0	0	112.1	F12 L17 Y321	F12-V14 VanDerWaalsContact C-N 3.32Å; F12-V14 PolarHBondContact O-N 2.03Å; V14-L17 PolarHBondContact O-N 2.98Å; V14-Y321 HydrophobicContact CB-CE2 4.4Å; V14-Y321 HydrophobicContact CG1-CD2 4.09Å; V14-Y321 HydrophobicContact CG1-CE1 4.38Å; V14-Y321 HydrophobicContact CG1-CE2 3.49Å; V14-Y321 VanDerWaalsContact CG1-CE2 3.49Å
15	M	34.2	Very low	31.6	Very low	135 Å²	135	139.4 Å²	139.4	67%	0.665	71%	0.706	S	S	*	*	H	α-helix	trans	-71.2	-27.1	173.4	-95.6	-85.4	-176.8	0	0	113.1	L17	M15-L17 VanDerWaalsContact C-N 3.32Å; M15-L17 PolarHBondContact O-N 2.94Å
16	L	34.4	Very low	31.5	Very low	115 Å²	115	136.7 Å²	136.7	60%	0.602	71%	0.706	S	S	*	*	H	α-helix	trans	-73.5	-21.1	174.8	-117.7	104.2	0	0	0	113.6
17	L	36	Very low	31.4	Very low	108 Å²	108	133.3 Å²	133.3	57%	0.565	70%	0.701	S	S	*	*	H	α-helix	trans	-79.9	-18.5	179.4	-93.8	154	0	0	0	113.7	V14 M15	V14-L17 PolarHBondContact O-N 2.98Å; M15-L17 VanDerWaalsContact C-N 3.32Å; M15-L17 PolarHBondContact O-N 2.94Å
18	V	36.7	Very low	31	Very low	83 Å²	83	135 Å²	135	50%	0.503	71%	0.707	S	S	.	*	H	α-helix	trans	-95.7	-18.2	178.7	-178.9	0	0	0	0	112.3
19	W	28.9	Very low	30.8	Very low	238 Å²	238	137.5 Å²	137.5	90%	0.902	72%	0.715	S	S	*	*	H	α-helix	trans	-94.3	-19.5	177.9	-118.6	44.5	0	0	0	114.5	L21	W19-L21 PolarHBondContact O-N 3.16Å
20	M	27.9	Very low	30.7	Very low	151 Å²	151	135.5 Å²	135.5	74%	0.744	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	14.3	-178	-76.3	-68	-113.9	0	0	115.8
21	L	32.7	Very low	30.4	Very low	137 Å²	137	136.2 Å²	136.2	72%	0.717	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	13.5	-179.5	-80.9	167.3	0	0	0	115.5	W19	W19-L21 PolarHBondContact O-N 3.16Å
22	V	31.4	Very low	30	Very low	128 Å²	128	142.7 Å²	142.7	78%	0.776	74%	0.736	S	S	*	*	S	Bend	trans	-124.9	5.8	-179.9	-178.1	0	0	0	0	115.2
23	R	25.8	Very low	29.9	Very low	248 Å²	248	145.3 Å²	145.3	94%	0.936	75%	0.75	S	S	*	*			trans	-139.2	98	166.2	-75.7	-167.4	176	-177.4	-1	111.9
24	C	25.7	Very low	29.5	Very low	128 Å²	128	150.5 Å²	150.5	87%	0.865	77%	0.765	S	S	*	*			trans	-109.6	109.9	158.5	-162.3	0	0	0	0	106.1
25	Q	27.5	Very low	28.9	Very low	183 Å²	183	158.3 Å²	158.3	86%	0.855	80%	0.799	S	S	*	*			trans	158.5	101.5	160.2	-92.7	170.9	8	0	0	108.1
26	T	27.7	Very low	28.6	Very low	140 Å²	140	161.2 Å²	161.2	86%	0.859	81%	0.811	S	S	*	*			trans	167.6	152.9	136.2	41.5	0	0	0	0	110.7
27	P	25.3	Very low	28.2	Very low	118 Å²	118	165 Å²	165	77%	0.766	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-81.3	156.4	-160	34	-33.4	0	0	0	113.1
28	V	25.9	Very low	27.7	Very low	146 Å²	146	164.5 Å²	164.5	89%	0.885	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-87.2	119.2	173.4	178.8	0	0	0	0	107.9
29	E	27.2	Very low	27.4	Very low	174 Å²	174	167.1 Å²	167.1	81%	0.813	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-89.4	154.8	162.3	-87.6	179.7	169.3	0	0	109.5
30	P	27.5	Very low	27.6	Very low	122 Å²	122	165.1 Å²	165.1	79%	0.792	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-82.1	139.3	-164.4	29.6	-25.4	0	0	0	112.3
31	E	25.8	Very low	27.6	Very low	191 Å²	191	167.1 Å²	167.1	89%	0.893	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-81.1	136.3	166.1	-74.2	-177.4	162.6	0	0	109.5
32	E	25.6	Very low	27.4	Very low	195 Å²	195	164.8 Å²	164.8	91%	0.911	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-67	124.4	-177.8	-63.3	171.2	155.8	0	0	110.8
33	E	27.6	Very low	27.4	Very low	192 Å²	192	165.8 Å²	165.8	90%	0.897	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-84.1	130	169.8	-73.5	-176.7	163.8	0	0	110
34	E	26.4	Very low	27.6	Very low	193 Å²	193	160.7 Å²	160.7	90%	0.902	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-69.6	134	174.5	-69.5	-177.9	154.3	0	0	111.1	E36	E34-E36 PolarHBondContact O-N 3.31Å
35	E	26	Very low	28.1	Very low	200 Å²	200	159.4 Å²	159.4	94%	0.935	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-66.9	119.1	175.2	-65.6	178.1	151.3	0	0	111.4
36	E	27.6	Very low	28.3	Very low	196 Å²	196	156.9 Å²	156.9	92%	0.916	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-101.8	128.7	160.9	-85.8	-166.5	160.6	0	0	111.1	E34	E34-E36 PolarHBondContact O-N 3.31Å
37	E	26.8	Very low	29	Very low	193 Å²	193	158.8 Å²	158.8	90%	0.902	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-64.4	143.3	-173.3	-72	-171.8	145.9	0	0	114.5
38	A	26.3	Very low	29.6	Very low	99 Å²	99	159.2 Å²	159.2	82%	0.818	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-67.4	127.3	175.3	0	0	0	0	0	113.5
39	V	29.6	Very low	30.4	Very low	138 Å²	138	157.6 Å²	157.6	84%	0.836	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-99.3	118.8	159.3	-179.5	0	0	0	0	108.9
40	K	32.6	Very low	31.7	Very low	195 Å²	195	155.4 Å²	155.4	85%	0.848	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-76.7	123.2	172.4	-70.3	176.2	175.9	176.2	0	110
41	E	28.1	Very low	33.7	Very low	194 Å²	194	154.1 Å²	154.1	91%	0.907	83%	0.829	S	S	*	*			trans	-132.9	131.8	146.6	-81.8	-166.2	156.7	0	0	110
42	A	29.1	Very low	36.5	Very low	88 Å²	88	147 Å²	147	73%	0.727	80%	0.8	S	S	*	*			trans	-99.2	153.9	-176.5	0	0	0	0	0	110.9
43	D	31	Very low	39.4	Very low	149 Å²	149	138.2 Å²	138.2	80%	0.797	76%	0.76	S	S	*	*			trans	69.9	106.6	158.2	-67.7	-19.9	0	0	0	118.8
44	T	30.1	Very low	42.2	Very low	141 Å²	141	134.5 Å²	134.5	87%	0.865	76%	0.755	S	S	*	*				-160.9	117.8	97.9	23	0	0	0	0	110.8	T46	T44-T46 PolarHBondContact O-N 2.02Å
45	A	36.6	Very low	45.1	Very low	100 Å²	100	130.4 Å²	130.4	83%	0.826	74%	0.736	S	S	*	*			trans	-69.6	120.6	175.4	0	0	0	0	0	111.1
46	T	32.4	Very low	48.2	Very low	130 Å²	130	121.8 Å²	121.8	80%	0.798	70%	0.697	S	S	*	*			trans	-126.2	113.2	149.7	35.5	0	0	0	0	107.6	T44 V48	T44-T46 PolarHBondContact O-N 2.02Å; T46-V48 PolarHBondContact O-N 3.37Å; T46-V48 VanDerWaalsContact O-N 3.16Å
47	L	41.3	Very low	51.3	Low	180 Å²	180	116.1 Å²	116.1	94%	0.942	68%	0.679	S	S	*	*			trans	-53.3	111.4	177.5	-74.5	124.5	0	0	0	110.9
48	V	38.1	Very low	54.4	Low	128 Å²	128	109 Å²	109	78%	0.776	65%	0.651	S	S	*	*			trans	-104.8	120.4	154.6	-176.4	0	0	0	0	105.4	T46 T50	T46-V48 PolarHBondContact O-N 3.37Å; T46-V48 VanDerWaalsContact O-N 3.16Å; V48-T50 PolarHBondContact O-N 3.04Å
49	T	43.7	Very low	57.3	Low	112 Å²	112	107.7 Å²	107.7	69%	0.687	63%	0.632	S	S	*	*			trans	-53	129.7	175.8	40.7	0	0	0	0	109.8	E51	T49-E51 PolarHBondContact O-N 3.42Å
50	T	54	Low	59.9	Low	128 Å²	128	108.4 Å²	108.4	79%	0.785	64%	0.637	S	S	*	*			trans	-66.2	90.6	-178.2	45	0	0	0	0	110.6	V48	V48-T50 PolarHBondContact O-N 3.04Å
51	E	70	Confident	62.3	Low	95 Å²	95	106.7 Å²	106.7	44%	0.444	63%	0.632	S	S	.	*			trans	-93.2	38.1	165.6	-65.4	178.7	178.4	0	0	110	T49 E77 P79	T49-E51 PolarHBondContact O-N 3.42Å; E51-E77 CarbonylContact C-O 3.41Å; E51-P79 HydrophobicContact CB-CG 4.44Å; E51-P79 VanDerWaalsContact O-CD 3.24Å; E51-P79 WeakPolarHBondContact O-CD 3.02Å; E51-P79 VanDerWaalsContact O-CG 3.3Å; E51-P79 WeakPolarHBondContact O-CG 3.02Å
52	C	83.2	Confident	65.2	Low	41 Å²	41	97.9 Å²	97.9	28%	0.277	59%	0.594	S	S	.	*	S	Bend	trans	-112.9	124.3	176.2	-172.1	0	0	0	0	108.1	C58	C52-C58 VanDerWaalsContact CA-SG 3.57Å; C52-C58 HydrophobicContact CB-CB 3.76Å; C52-C58 WeakPolarHBondContact CB-SG 3.44Å; C52-C58 WeakPolarHBondContact SG-CB 3.41Å; C52-C58 CovalentContact SG-SG 2.03Å; C52-C58 PolarHBondContact SG-SG 2.65Å
53	P	87	Confident	68.2	Low	11 Å²	11	95.6 Å²	95.6	7%	0.071	57%	0.571	C	S	.	*			trans	-56.8	141.7	177.5	-20.2	28.8	0	0	0	110.8	E55 C56 P75 L78	P53-E55 PolarHBondContact O-N 2.93Å; P53-E55 VanDerWaalsContact O-N 3.16Å; P53-C56 HydrophobicContact CB-CB 4.09Å; P53-C56 HydrophobicContact CG-CB 4.34Å; P53-C56 PolarHBondContact O-N 3.39Å; P53-P75 HydrophobicContact CB-CB 4.04Å; P53-P75 HydrophobicContact CG-CB 3.84Å; P53-L78 HydrophobicContact CG-CD2 3.95Å
54	S	85.4	Confident	71.3	Confident	113 Å²	113	88.6 Å²	88.6	79%	0.79	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.3	-169.6	55.6	0	0	0	0	114.5	C56	S54-C56 VanDerWaalsContact C-N 3.34Å
55	E	87.9	Confident	74.4	Confident	108 Å²	108	85.2 Å²	85.2	51%	0.505	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-2.3	178.3	-58.2	88.2	163.2	0	0	112.7	P53 V69 L71	P53-E55 PolarHBondContact O-N 2.93Å; P53-E55 VanDerWaalsContact O-N 3.16Å; E55-V69 HydrophobicContact CB-CB 4.27Å; E55-V69 HydrophobicContact CB-CG2 3.85Å; E55-V69 WeakPolarHBondContact O-CG1 3.24Å; E55-L71 HydrophobicContact CB-CD2 4.42Å
56	C	91.8	Very high	77.2	Confident	19 Å²	19	80.5 Å²	80.5	13%	0.128	47%	0.471	C	S	.	.	S	Bend	trans	-115.3	158.5	-172.4	-57.4	0	0	0	0	113	P53 S54 V64 D65 C66	P53-C56 HydrophobicContact CB-CB 4.09Å; P53-C56 HydrophobicContact CG-CB 4.34Å; P53-C56 PolarHBondContact O-N 3.39Å; S54-C56 VanDerWaalsContact C-N 3.34Å; C56-V64 HydrophobicContact CB-CG1 4.23Å; C56-D65 WeakPolarHBondContact CA-O 3.3Å; C56-C66 HydrophobicContact CB-CB 4.09Å; C56-C66 WeakPolarHBondContact CB-SG 3.48Å; C56-C66 WeakPolarHBondContact SG-CB 3.01Å; C56-C66 CovalentContact SG-SG 2.02Å; C56-C66 PolarHBondContact SG-SG 3.02Å
57	S	92.1	Very high	80.3	Confident	76 Å²	76	75.8 Å²	75.8	53%	0.531	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.4	171.6	-175.2	0	0	0	0	110	V64 D65	S57-V64 WeakPolarHBondContact O-CA 3.34Å; S57-D65 PolarHBondContact N-O 3.45Å; S57-D65 PolarHBondContact O-N 3.45Å
58	C	91.5	Very high	82.8	Confident	45 Å²	45	69.2 Å²	69.2	30%	0.304	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.3	179.5	-53.8	0	0	0	0	111.6	C52 T63 V64	C52-C58 VanDerWaalsContact CA-SG 3.57Å; C52-C58 HydrophobicContact CB-CB 3.76Å; C52-C58 WeakPolarHBondContact CB-SG 3.44Å; C52-C58 WeakPolarHBondContact SG-CB 3.41Å; C52-C58 CovalentContact SG-SG 2.03Å; C52-C58 PolarHBondContact SG-SG 2.65Å; C58-T63 WeakPolarHBondContact CA-O 3.27Å; C58-V64 HydrophobicContact CB-CG2 4.38Å
59	T	88.8	Confident	85.5	Confident	70 Å²	70	65.8 Å²	65.8	43%	0.429	40%	0.4	S	S	.	.			trans	-112.6	156.8	177.7	63.4	0	0	0	0	111.5	E61 G62 T63	T59-E61 PolarHBondContact O-N 2.77Å; T59-G62 PolarHBondContact O-N 3.35Å; T59-T63 PolarHBondContact N-O 3.33Å; T59-T63 WeakPolarHBondContact OG1-CB 3.32Å; T59-T63 PolarHBondContact OG1-N 3.25Å; T59-T63 VanDerWaalsContact OG1-N 3.07Å; T59-T63 PolarHBondContact OG1-O 3.23Å
60	T	82.4	Confident	88	Confident	153 Å²	153	65.3 Å²	65.3	94%	0.939	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.1	174.1	50.3	0	0	0	0	113.3	G62	T60-G62 VanDerWaalsContact C-N 3.26Å
61	E	82.9	Confident	89.9	Confident	159 Å²	159	60.2 Å²	60.2	74%	0.743	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.1	178.2	-61.2	-173.4	173.6	0	0	113.1	T59	T59-E61 PolarHBondContact O-N 2.77Å
62	G	89.2	Confident	91.1	Very high	10 Å²	10	59.8 Å²	59.8	10%	0.103	37%	0.365	C	S	.	.	S	Bend	trans	88.2	20.2	177	0	0	0	0	0	114.1	T59 T60 I82 R83 Q84	T59-G62 PolarHBondContact O-N 3.35Å; T60-G62 VanDerWaalsContact C-N 3.26Å; G62-I82 CarbonylContact O-C 3.25Å; G62-I82 WeakPolarHBondContact O-CA 3.49Å; G62-R83 PolarHBondContact O-N 3.35Å; G62-Q84 PolarHBondContact O-N 2.84Å; G62-Q84 VanDerWaalsContact O-N 3.16Å
63	T	93.8	Very high	91.6	Very high	40 Å²	40	64.6 Å²	64.6	25%	0.245	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.7	169.9	-56.7	0	0	0	0	110.3	C58 T59 Q84	C58-T63 WeakPolarHBondContact CA-O 3.27Å; T59-T63 PolarHBondContact N-O 3.33Å; T59-T63 WeakPolarHBondContact OG1-CB 3.32Å; T59-T63 PolarHBondContact OG1-N 3.25Å; T59-T63 VanDerWaalsContact OG1-N 3.07Å; T59-T63 PolarHBondContact OG1-O 3.23Å; T63-Q84 WeakPolarHBondContact CA-O 3.09Å; T63-Q84 HydrophobicContact CG2-CB 4.01Å
64	V	95.3	Very high	91.9	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.012	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.5	172.9	180	0	0	0	0	108.5	C56 S57 C58 L78 I82 Q84 L85 S86	C56-V64 HydrophobicContact CB-CG1 4.23Å; S57-V64 WeakPolarHBondContact O-CA 3.34Å; C58-V64 HydrophobicContact CB-CG2 4.38Å; V64-L78 HydrophobicContact CG1-CD2 4Å; V64-I82 HydrophobicContact CG2-CB 4.48Å; V64-I82 HydrophobicContact CG2-CG2 3.48Å; V64-I82 VanDerWaalsContact CG2-CG2 3.48Å; V64-Q84 PolarHBondContact N-O 3.1Å; V64-L85 HydrophobicContact CB-CD1 3.91Å; V64-L85 HydrophobicContact CG1-CD1 3.87Å; V64-L85 WeakPolarHBondContact O-CA 3.41Å; V64-S86 PolarHBondContact O-N 3.46Å
65	D	95.6	Very high	92.2	Very high	70 Å²	70	59.9 Å²	59.9	37%	0.374	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.9	178.3	-168.9	16.8	0	0	0	111.4	C56 S57 A67 S86	C56-D65 WeakPolarHBondContact CA-O 3.3Å; S57-D65 PolarHBondContact N-O 3.45Å; S57-D65 PolarHBondContact O-N 3.45Å; D65-A67 WeakPolarHBondContact OD1-CB 3.44Å; D65-A67 PolarHBondContact OD1-N 3.27Å; D65-A67 VanDerWaalsContact OD1-N 3.1Å; D65-S86 VanDerWaalsContact OD1-CB 3.23Å; D65-S86 WeakPolarHBondContact OD1-CB 3.33Å; D65-S86 PolarHBondContact OD1-OG 3.25Å
66	C	95.6	Very high	91.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	36%	0.36	C	S	.	.			trans	-122.5	28.5	178.9	-52.7	0	0	0	0	110.3	C56 G68 V69 L71 S86 L87 N90	C56-C66 HydrophobicContact CB-CB 4.09Å; C56-C66 WeakPolarHBondContact CB-SG 3.48Å; C56-C66 WeakPolarHBondContact SG-CB 3.01Å; C56-C66 CovalentContact SG-SG 2.02Å; C56-C66 PolarHBondContact SG-SG 3.02Å; C66-G68 PolarHBondContact O-N 2.91Å; C66-V69 HydrophobicContact CB-CG2 4.41Å; C66-V69 WeakPolarHBondContact O-CG2 3.41Å; C66-L71 HydrophobicContact CB-CD1 3.83Å; C66-S86 WeakPolarHBondContact CA-O 3.36Å; C66-S86 WeakPolarHBondContact CB-O 3.1Å; C66-S86 PolarHBondContact N-O 2.74Å; C66-L87 HydrophobicContact CB-CD2 3.73Å; C66-N90 PolarHBondContact O-ND2 3.31Å
67	A	95.8	Very high	91.3	Very high	31 Å²	31	68 Å²	68	26%	0.256	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	129.1	-176.1	0	0	0	0	0	112.4	D65 V69 Q88	D65-A67 WeakPolarHBondContact OD1-CB 3.44Å; D65-A67 PolarHBondContact OD1-N 3.27Å; D65-A67 VanDerWaalsContact OD1-N 3.1Å; A67-V69 VanDerWaalsContact C-N 3.28Å; A67-V69 PolarHBondContact O-N 2.85Å; A67-Q88 WeakPolarHBondContact CA-O 3.43Å; A67-Q88 HydrophobicContact CB-CG 3.46Å; A67-Q88 VanDerWaalsContact CB-CG 3.46Å
68	G	95.1	Very high	91	Very high	43 Å²	43	64.9 Å²	64.9	44%	0.443	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	16.4	167.7	0	0	0	0	0	116	C66 D70 Q88 N89	C66-G68 PolarHBondContact O-N 2.91Å; G68-D70 VanDerWaalsContact C-N 3.25Å; G68-D70 PolarHBondContact O-N 3.21Å; G68-Q88 PolarHBondContact N-O 3.19Å; G68-N89 WeakPolarHBondContact CA-O 3.35Å
69	V	95	Very high	90.6	Very high	56 Å²	56	64.2 Å²	64.2	34%	0.339	36%	0.358	S	S	.	.	S	Bend	trans	-92.7	20.2	-178	-52.9	0	0	0	0	113	E55 C66 A67 L71 N90	E55-V69 HydrophobicContact CB-CB 4.27Å; E55-V69 HydrophobicContact CB-CG2 3.85Å; E55-V69 WeakPolarHBondContact O-CG1 3.24Å; C66-V69 HydrophobicContact CB-CG2 4.41Å; C66-V69 WeakPolarHBondContact O-CG2 3.41Å; A67-V69 VanDerWaalsContact C-N 3.28Å; A67-V69 PolarHBondContact O-N 2.85Å; V69-L71 VanDerWaalsContact C-N 3.29Å; V69-L71 HydrophobicContact CG2-CD1 4.01Å; V69-L71 HydrophobicContact CG2-CD2 3.9Å; V69-L71 HydrophobicContact CG2-CG 3.56Å; V69-L71 PolarHBondContact O-N 3.02Å; V69-N90 PolarHBondContact N-OD1 2.84Å
70	D	94.8	Very high	90.1	Very high	102 Å²	102	65.7 Å²	65.7	55%	0.545	36%	0.363	S	S	.	.			trans	61.9	25.5	175.8	-79.1	-50.6	0	0	0	115.4	G68 T72 N90 K91	G68-D70 VanDerWaalsContact C-N 3.25Å; G68-D70 PolarHBondContact O-N 3.21Å; D70-T72 PolarHBondContact O-N 3.28Å; D70-N90 PolarHBondContact N-OD1 3.35Å; D70-K91 VanDerWaalsContact OD1-CE 3.27Å; D70-K91 WeakPolarHBondContact OD1-CE 3.44Å; D70-K91 IonicContact OD1-NZ 3.01Å; D70-K91 PolarHBondContact OD1-NZ 3.22Å
71	L	95.2	Very high	90.3	Very high	20 Å²	20	65.9 Å²	65.9	11%	0.105	35%	0.351	C	S	.	.			trans	-57.9	131.6	179	-61.8	177.1	0	0	0	111.9	E55 C66 V69 P75 L87 N90 K91 I92	E55-L71 HydrophobicContact CB-CD2 4.42Å; C66-L71 HydrophobicContact CB-CD1 3.83Å; V69-L71 VanDerWaalsContact C-N 3.29Å; V69-L71 HydrophobicContact CG2-CD1 4.01Å; V69-L71 HydrophobicContact CG2-CD2 3.9Å; V69-L71 HydrophobicContact CG2-CG 3.56Å; V69-L71 PolarHBondContact O-N 3.02Å; L71-P75 HydrophobicContact CD1-CG 4.48Å; L71-L87 HydrophobicContact CD1-CD2 3.81Å; L71-N90 HydrophobicContact CB-CB 4.05Å; L71-N90 PolarHBondContact N-OD1 3.41Å; L71-K91 CarbonylContact O-C 3.34Å; L71-K91 WeakPolarHBondContact O-CA 3.36Å; L71-K91 PolarHBondContact O-N 2.98Å; L71-I92 HydrophobicContact CB-CD1 4.37Å; L71-I92 HydrophobicContact CB-CG1 4.17Å; L71-I92 PolarHBondContact O-N 3.44Å
72	T	95	Very high	90.7	Very high	86 Å²	86	58.4 Å²	58.4	53%	0.528	32%	0.316	S	S	.	.	S	Bend	trans	-100.4	-21	173.6	53	0	0	0	0	113.5	D70 K91	D70-T72 PolarHBondContact O-N 3.28Å; T72-K91 HydrophobicContact CG2-CB 4.23Å
73	E	93.4	Very high	91	Very high	143 Å²	143	63.8 Å²	63.8	67%	0.668	33%	0.333	S	S	*	.	S	Bend	trans	-128.1	162.8	-178.6	-66	178.8	-175.9	0	0	108.9
74	F	93.9	Very high	91.2	Very high	9 Å²	9	66 Å²	66	4%	0.039	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-69.5	134.6	175.2	-168.1	-86.2	0	0	0	109	E76 L78 L85 L87 I95 H99 I100	F74-E76 PolarHBondContact O-N 2.81Å; F74-L78 HydrophobicContact CE1-CD1 3.43Å; F74-L78 VanDerWaalsContact CE1-CD1 3.43Å; F74-L78 HydrophobicContact CE1-CG 4.45Å; F74-L78 HydrophobicContact CZ-CD1 3.68Å; F74-L85 HydrophobicContact CE2-CD2 4.21Å; F74-L85 HydrophobicContact CZ-CD2 3.78Å; F74-L87 HydrophobicContact CD2-CD1 3.7Å; F74-L87 HydrophobicContact CE2-CD1 3.38Å; F74-L87 HydrophobicContact CZ-CD1 4.12Å; F74-I95 HydrophobicContact CD2-CD1 4.35Å; F74-I95 HydrophobicContact CD2-CG1 4.07Å; F74-I95 HydrophobicContact CD2-CG2 4.39Å; F74-H99 HydrophobicContact CB-CB 4.5Å; F74-H99 HydrophobicContact CD1-CB 3.66Å; F74-H99 AromaticContact CD1-CG 3.76Å; F74-H99 HydrophobicContact CD2-CB 4.35Å; F74-H99 HydrophobicContact CE1-CB 3.83Å; F74-H99 HydrophobicContact CE2-CB 4.5Å; F74-H99 HydrophobicContact CG-CB 3.93Å; F74-H99 AromaticContact CG-CG 3.85Å; F74-H99 AromaticContact CG-ND1 3.94Å; F74-H99 HydrophobicContact CZ-CB 4.25Å; F74-I100 HydrophobicContact CE2-CG2 4.11Å; F74-I100 HydrophobicContact CZ-CG2 4.05Å
75	P	91.3	Very high	91.3	Very high	15 Å²	15	66 Å²	66	10%	0.097	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-65.8	130.6	-175.6	26.2	-33.5	0	0	0	111.1	P53 L71 L78 L87	P53-P75 HydrophobicContact CB-CB 4.04Å; P53-P75 HydrophobicContact CG-CB 3.84Å; L71-P75 HydrophobicContact CD1-CG 4.48Å; P75-L78 HydrophobicContact CG-CD2 4.23Å; P75-L87 HydrophobicContact CG-CD2 3.69Å
76	E	82.1	Confident	91.4	Very high	155 Å²	155	63.5 Å²	63.5	72%	0.724	33%	0.329	S	S	*	.	S	Bend	trans	-73.4	159.8	169.8	-61.4	-173.6	174	0	0	110.1	F74	F74-E76 PolarHBondContact O-N 2.81Å
77	E	78.2	Confident	91.4	Very high	142 Å²	142	63.5 Å²	63.5	66%	0.664	33%	0.329	S	S	*	.			trans	67.9	44.9	174.4	-49.1	-177.1	167.2	0	0	115.8	E51	E51-E77 CarbonylContact C-O 3.41Å
78	L	86	Confident	91.5	Very high	12 Å²	12	64 Å²	64	6%	0.063	33%	0.326	C	S	.	.			trans	-78.3	143.6	171	-68.3	178.4	0	0	0	112.6	P53 V64 F74 P75 I82 L85 L103	P53-L78 HydrophobicContact CG-CD2 3.95Å; V64-L78 HydrophobicContact CG1-CD2 4Å; F74-L78 HydrophobicContact CE1-CD1 3.43Å; F74-L78 VanDerWaalsContact CE1-CD1 3.43Å; F74-L78 HydrophobicContact CE1-CG 4.45Å; F74-L78 HydrophobicContact CZ-CD1 3.68Å; P75-L78 HydrophobicContact CG-CD2 4.23Å; L78-I82 HydrophobicContact CB-CD1 4.46Å; L78-I82 HydrophobicContact CD1-CD1 4.2Å; L78-L85 HydrophobicContact CD1-CD1 4.3Å; L78-L85 HydrophobicContact CD1-CD2 3.73Å; L78-L85 HydrophobicContact CD2-CD1 4.21Å; L78-L103 HydrophobicContact CD1-CD1 4.35Å
79	P	83.4	Confident	91.7	Very high	31 Å²	31	65.7 Å²	65.7	20%	0.201	33%	0.325	C	S	.	.			trans	-65	138.1	175	-14.8	25.7	0	0	0	112	E51 K81 I82	E51-P79 HydrophobicContact CB-CG 4.44Å; E51-P79 VanDerWaalsContact O-CD 3.24Å; E51-P79 WeakPolarHBondContact O-CD 3.02Å; E51-P79 VanDerWaalsContact O-CG 3.3Å; E51-P79 WeakPolarHBondContact O-CG 3.02Å; P79-K81 PolarHBondContact O-N 3.47Å; P79-I82 HydrophobicContact CB-CG2 3.9Å; P79-I82 HydrophobicContact CG-CG2 3.89Å; P79-I82 WeakPolarHBondContact O-CG2 3.16Å; P79-I82 PolarHBondContact O-N 2.83Å
80	N	78.8	Confident	91.8	Very high	101 Å²	101	63.3 Å²	63.3	54%	0.54	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.1	179.7	-69	-46.1	0	0	0	114.9	H102	N80-H102 PolarHBondContact OD1-CD2 3.07Å
81	K	85.2	Confident	91.9	Very high	157 Å²	157	61.8 Å²	61.8	68%	0.683	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	22.2	-176.9	-64.1	-174.8	-178.6	176.5	0	113.4	P79	P79-K81 PolarHBondContact O-N 3.47Å
82	I	92.7	Very high	92	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	29%	0.294	C	S	.	.			trans	-68.9	142.7	176.3	61.6	174.9	0	0	0	111.3	G62 V64 L78 P79 L85 L103 Q105 L106	G62-I82 CarbonylContact O-C 3.25Å; G62-I82 WeakPolarHBondContact O-CA 3.49Å; V64-I82 HydrophobicContact CG2-CB 4.48Å; V64-I82 HydrophobicContact CG2-CG2 3.48Å; V64-I82 VanDerWaalsContact CG2-CG2 3.48Å; L78-I82 HydrophobicContact CB-CD1 4.46Å; L78-I82 HydrophobicContact CD1-CD1 4.2Å; P79-I82 HydrophobicContact CB-CG2 3.9Å; P79-I82 HydrophobicContact CG-CG2 3.89Å; P79-I82 WeakPolarHBondContact O-CG2 3.16Å; P79-I82 PolarHBondContact O-N 2.83Å; I82-L85 HydrophobicContact CD1-CB 4.2Å; I82-L85 HydrophobicContact CD1-CD2 4.22Å; I82-L103 HydrophobicContact CD1-CD1 3.94Å; I82-L103 HydrophobicContact CD1-CD2 3.59Å; I82-L103 HydrophobicContact CD1-CG 4.3Å; I82-L103 HydrophobicContact CG1-CD2 3.77Å; I82-Q105 CarbonylContact O-C 3.42Å; I82-L106 HydrophobicContact CD1-CD1 3.93Å; I82-L106 HydrophobicContact CG1-CD1 3.91Å; I82-L106 PolarHBondContact O-N 3.07Å
83	R	95.6	Very high	92.1	Very high	123 Å²	123	62.7 Å²	62.7	46%	0.464	29%	0.294	S	S	.	.	S	Bend	trans	-110.7	-30.4	174.9	-67.8	-178.1	177	-136.6	9.3	111.8	G62 E107 T108	G62-R83 PolarHBondContact O-N 3.35Å; R83-E107 HydrophobicContact CB-CG 4.38Å; R83-E107 IonicContact CZ-OE1 2.65Å; R83-E107 IonicContact NE-OE1 2.83Å; R83-E107 IonicContact NH1-OE1 3.63Å; R83-E107 PolarHBondContact NH1-OE1 3.16Å; R83-E107 WeakPolarHBondContact O-CA 3.49Å; R83-E107 WeakPolarHBondContact O-CB 3.23Å; R83-E107 PolarHBondContact O-N 3.32Å; R83-T108 PolarHBondContact O-N 2.94Å
84	Q	97.2	Very high	92.2	Very high	87 Å²	87	60.7 Å²	60.7	41%	0.407	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.2	-178.8	-56.7	-176.3	11.3	0	0	109.6	G62 T63 V64 T108	G62-Q84 PolarHBondContact O-N 2.84Å; G62-Q84 VanDerWaalsContact O-N 3.16Å; T63-Q84 WeakPolarHBondContact CA-O 3.09Å; T63-Q84 HydrophobicContact CG2-CB 4.01Å; V64-Q84 PolarHBondContact N-O 3.1Å; Q84-T108 WeakPolarHBondContact CA-O 3.42Å
85	L	97	Very high	92.2	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.6	177	-180	58.2	0	0	0	109.6	V64 F74 L78 I82 L87 L103 L106 T108 L109 N110	V64-L85 HydrophobicContact CB-CD1 3.91Å; V64-L85 HydrophobicContact CG1-CD1 3.87Å; V64-L85 WeakPolarHBondContact O-CA 3.41Å; F74-L85 HydrophobicContact CE2-CD2 4.21Å; F74-L85 HydrophobicContact CZ-CD2 3.78Å; L78-L85 HydrophobicContact CD1-CD1 4.3Å; L78-L85 HydrophobicContact CD1-CD2 3.73Å; L78-L85 HydrophobicContact CD2-CD1 4.21Å; I82-L85 HydrophobicContact CD1-CB 4.2Å; I82-L85 HydrophobicContact CD1-CD2 4.22Å; L85-L87 HydrophobicContact CD1-CD1 4.37Å; L85-L87 HydrophobicContact CD1-CD2 4.43Å; L85-L87 HydrophobicContact CD1-CG 4.09Å; L85-L87 HydrophobicContact CD2-CD1 3.88Å; L85-L87 HydrophobicContact CD2-CG 4.45Å; L85-L87 HydrophobicContact CG-CD1 4.01Å; L85-L87 HydrophobicContact CG-CG 4.04Å; L85-L103 HydrophobicContact CD2-CD1 4.39Å; L85-L106 HydrophobicContact CB-CD1 3.77Å; L85-T108 PolarHBondContact N-O 2.89Å; L85-L109 HydrophobicContact CB-CD1 4.15Å; L85-L109 HydrophobicContact CD2-CD1 3.93Å; L85-L109 HydrophobicContact CG-CD1 4.13Å; L85-N110 PolarHBondContact O-N 3.32Å
86	S	97.5	Very high	92.3	Very high	17 Å²	17	60.8 Å²	60.8	12%	0.119	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.8	176	167.5	0	0	0	0	110.2	V64 D65 C66 Q88	V64-S86 PolarHBondContact O-N 3.46Å; D65-S86 VanDerWaalsContact OD1-CB 3.23Å; D65-S86 WeakPolarHBondContact OD1-CB 3.33Å; D65-S86 PolarHBondContact OD1-OG 3.25Å; C66-S86 WeakPolarHBondContact CA-O 3.36Å; C66-S86 WeakPolarHBondContact CB-O 3.1Å; C66-S86 PolarHBondContact N-O 2.74Å; S86-Q88 PolarHBondContact OG-NE2 3.31Å
87	L	97.3	Very high	92.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.264	C	S	.	.			trans	-122.5	20.5	178.1	-69.9	168.4	0	0	0	111.1	C66 L71 F74 P75 L85 N90 I92 N110 L111 N114	C66-L87 HydrophobicContact CB-CD2 3.73Å; L71-L87 HydrophobicContact CD1-CD2 3.81Å; F74-L87 HydrophobicContact CD2-CD1 3.7Å; F74-L87 HydrophobicContact CE2-CD1 3.38Å; F74-L87 HydrophobicContact CZ-CD1 4.12Å; P75-L87 HydrophobicContact CG-CD2 3.69Å; L85-L87 HydrophobicContact CD1-CD1 4.37Å; L85-L87 HydrophobicContact CD1-CD2 4.43Å; L85-L87 HydrophobicContact CD1-CG 4.09Å; L85-L87 HydrophobicContact CD2-CD1 3.88Å; L85-L87 HydrophobicContact CD2-CG 4.45Å; L85-L87 HydrophobicContact CG-CD1 4.01Å; L85-L87 HydrophobicContact CG-CG 4.04Å; L87-N90 PolarHBondContact O-ND2 3.39Å; L87-I92 HydrophobicContact CB-CD1 4.02Å; L87-I92 HydrophobicContact CD1-CD1 4.32Å; L87-I92 HydrophobicContact CD2-CD1 4.19Å; L87-I92 HydrophobicContact CG-CD1 4.43Å; L87-N110 PolarHBondContact N-O 2.94Å; L87-L111 HydrophobicContact CB-CD2 3.9Å; L87-L111 HydrophobicContact CD1-CD2 3.8Å; L87-L111 HydrophobicContact CG-CD2 4.5Å; L87-N114 PolarHBondContact O-ND2 3.39Å
88	Q	97.6	Very high	93.3	Very high	41 Å²	41	56.5 Å²	56.5	19%	0.192	27%	0.269	C	S	.	.			trans	-65.3	157.7	-175	63.6	-174.3	-14.9	0	0	113.5	A67 G68 S86 N90 N110 Q112	A67-Q88 WeakPolarHBondContact CA-O 3.43Å; A67-Q88 HydrophobicContact CB-CG 3.46Å; A67-Q88 VanDerWaalsContact CB-CG 3.46Å; G68-Q88 PolarHBondContact N-O 3.19Å; S86-Q88 PolarHBondContact OG-NE2 3.31Å; Q88-N90 VanDerWaalsContact C-N 3.28Å; Q88-N90 PolarHBondContact O-N 2.76Å; Q88-N90 PolarHBondContact O-ND2 3.45Å; Q88-N90 VanDerWaalsContact O-ND2 3.16Å; Q88-N110 PolarHBondContact OE1-ND2 2.91Å; Q88-N110 VanDerWaalsContact OE1-ND2 3.07Å; Q88-Q112 CarbonylContact C-O 3.47Å; Q88-Q112 WeakPolarHBondContact CA-O 3.39Å; Q88-Q112 HydrophobicContact CB-CG 3.59Å
89	N	98.1	Very high	93.6	Very high	80 Å²	80	58.5 Å²	58.5	43%	0.428	28%	0.278	S	S	.	.	S	Bend	trans	58.6	37.2	174.7	-55.7	-35.8	0	0	0	113.4	G68 Q112 N113	G68-N89 WeakPolarHBondContact CA-O 3.35Å; N89-Q112 PolarHBondContact N-O 3.49Å; N89-N113 WeakPolarHBondContact CA-O 3.34Å; N89-N113 PolarHBondContact N-O 3.03Å; N89-N113 WeakPolarHBondContact OD1-CB 3.48Å; N89-N113 PolarHBondContact OD1-ND2 3.2Å
90	N	97.9	Very high	94	Very high	6 Å²	6	57 Å²	57	3%	0.032	27%	0.268	C	S	.	.	S	Bend	trans	-114.9	-167.6	177.6	-75.4	-59	0	0	0	110.6	C66 V69 D70 L71 L87 Q88 I92 N113 N114	C66-N90 PolarHBondContact O-ND2 3.31Å; V69-N90 PolarHBondContact N-OD1 2.84Å; D70-N90 PolarHBondContact N-OD1 3.35Å; L71-N90 HydrophobicContact CB-CB 4.05Å; L71-N90 PolarHBondContact N-OD1 3.41Å; L87-N90 PolarHBondContact O-ND2 3.39Å; Q88-N90 VanDerWaalsContact C-N 3.28Å; Q88-N90 PolarHBondContact O-N 2.76Å; Q88-N90 PolarHBondContact O-ND2 3.45Å; Q88-N90 VanDerWaalsContact O-ND2 3.16Å; N90-I92 HydrophobicContact CB-CD1 4.33Å; N90-I92 HydrophobicContact CB-CG1 4.1Å; N90-N113 PolarHBondContact N-O 3.15Å; N90-N114 WeakPolarHBondContact CA-OD1 3.25Å; N90-N114 WeakPolarHBondContact CB-OD1 3.17Å; N90-N114 PolarHBondContact O-OD1 2.84Å
91	K	97.6	Very high	94.6	Very high	70 Å²	70	53.7 Å²	53.7	30%	0.304	25%	0.252	S	S	.	.			trans	-119.2	23.3	-178	-62.4	170.5	-168.3	146.6	0	111.5	D70 L71 T72 K93 N114 W115	D70-K91 VanDerWaalsContact OD1-CE 3.27Å; D70-K91 WeakPolarHBondContact OD1-CE 3.44Å; D70-K91 IonicContact OD1-NZ 3.01Å; D70-K91 PolarHBondContact OD1-NZ 3.22Å; L71-K91 CarbonylContact O-C 3.34Å; L71-K91 WeakPolarHBondContact O-CA 3.36Å; L71-K91 PolarHBondContact O-N 2.98Å; T72-K91 HydrophobicContact CG2-CB 4.23Å; K91-K93 PolarHBondContact O-N 3.4Å; K91-N114 PolarHBondContact N-OD1 3.39Å; K91-W115 HydrophobicContact CB-CD2 4.17Å; K91-W115 HydrophobicContact CB-CE3 3.87Å; K91-W115 HydrophobicContact CB-CH2 4.18Å; K91-W115 HydrophobicContact CB-CZ2 4.43Å; K91-W115 HydrophobicContact CB-CZ3 3.89Å; K91-W115 HydrophobicContact CD-CH2 3.87Å; K91-W115 HydrophobicContact CD-CZ2 4.26Å; K91-W115 HydrophobicContact CD-CZ3 4.26Å; K91-W115 HydrophobicContact CG-CD2 4.43Å; K91-W115 HydrophobicContact CG-CE3 4.37Å; K91-W115 HydrophobicContact CG-CH2 3.86Å; K91-W115 HydrophobicContact CG-CZ2 3.89Å; K91-W115 HydrophobicContact CG-CZ3 4.1Å
92	I	97.1	Very high	94.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.234	C	C	.	.			trans	-64	131.2	-177.5	-56.4	173.2	0	0	0	109	L71 L87 N90 I95 N114 W115 L116	L71-I92 HydrophobicContact CB-CD1 4.37Å; L71-I92 HydrophobicContact CB-CG1 4.17Å; L71-I92 PolarHBondContact O-N 3.44Å; L87-I92 HydrophobicContact CB-CD1 4.02Å; L87-I92 HydrophobicContact CD1-CD1 4.32Å; L87-I92 HydrophobicContact CD2-CD1 4.19Å; L87-I92 HydrophobicContact CG-CD1 4.43Å; N90-I92 HydrophobicContact CB-CD1 4.33Å; N90-I92 HydrophobicContact CB-CG1 4.1Å; I92-I95 HydrophobicContact CG2-CG1 4.35Å; I92-N114 WeakPolarHBondContact CB-OD1 3.33Å; I92-N114 WeakPolarHBondContact CG1-OD1 3.33Å; I92-N114 PolarHBondContact N-OD1 3.4Å; I92-W115 CarbonylContact O-C 3.23Å; I92-W115 VanDerWaalsContact O-C 3.23Å; I92-W115 WeakPolarHBondContact O-CA 3.45Å; I92-W115 PolarHBondContact O-N 3.49Å; I92-L116 HydrophobicContact CG2-CD2 4.02Å; I92-L116 PolarHBondContact O-N 3.12Å
93	K	96.4	Very high	94.9	Very high	124 Å²	124	49.3 Å²	49.3	54%	0.539	23%	0.234	S	C	.	.			trans	-108.1	-27.1	-178.8	-64.1	177.9	-172.3	167.1	0	113.4	K91 W115	K91-K93 PolarHBondContact O-N 3.4Å; K93-W115 HydrophobicContact CG-CB 4.07Å; K93-W115 HydrophobicContact CG-CE3 4.45Å
94	E	95.3	Very high	94.7	Very high	102 Å²	102	47.2 Å²	47.2	48%	0.477	23%	0.23	S	C	.	.			trans	-138.8	139.6	-170.5	-173.9	170	-176.9	0	0	112.2	T96 G120	E94-T96 HydrophobicContact CG-CG2 4.04Å; E94-G120 CarbonylContact C-O 3.51Å; E94-G120 WeakPolarHBondContact CA-O 3.38Å
95	I	94.3	Very high	94.6	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-135.9	112.6	170.5	-58.5	175.1	0	0	0	106.8	F74 I92 H99 I100 L111 L116 G120 L121 E122	F74-I95 HydrophobicContact CD2-CD1 4.35Å; F74-I95 HydrophobicContact CD2-CG1 4.07Å; F74-I95 HydrophobicContact CD2-CG2 4.39Å; I92-I95 HydrophobicContact CG2-CG1 4.35Å; I95-H99 HydrophobicContact CG2-CB 4.27Å; I95-I100 HydrophobicContact CG2-CD1 4.27Å; I95-I100 HydrophobicContact CG2-CG1 4.42Å; I95-I100 HydrophobicContact CG2-CG2 3.65Å; I95-L111 HydrophobicContact CD1-CD1 3.36Å; I95-L111 HydrophobicContact CD1-CD2 3.47Å; I95-L111 VanDerWaalsContact CD1-CD2 3.47Å; I95-L111 HydrophobicContact CD1-CG 4.05Å; I95-L116 HydrophobicContact CD1-CD1 3.99Å; I95-L116 HydrophobicContact CD1-CD2 3.86Å; I95-L116 HydrophobicContact CG1-CD2 3.79Å; I95-G120 PolarHBondContact N-O 3.19Å; I95-L121 HydrophobicContact CB-CD1 4.02Å; I95-L121 HydrophobicContact CD1-CD1 4.32Å; I95-E122 PolarHBondContact O-N 3.07Å; I95-E122 VanDerWaalsContact O-N 3.15Å
96	T	93	Very high	94.6	Very high	24 Å²	24	47.3 Å²	47.3	15%	0.147	23%	0.23	C	C	.	.			trans	-91.4	167.5	178.6	63.9	0	0	0	0	110.8	E94 E98 H99 E122	E94-T96 HydrophobicContact CG-CG2 4.04Å; T96-E98 PolarHBondContact O-N 2.8Å; T96-H99 PolarHBondContact N-ND1 2.79Å; T96-H99 WeakPolarHBondContact O-CB 3.46Å; T96-H99 PolarHBondContact O-N 2.91Å; T96-H99 PolarHBondContact OG1-CE1 3.49Å; T96-H99 PolarHBondContact OG1-ND1 3.4Å; T96-E122 VanDerWaalsContact CA-OE2 3.25Å; T96-E122 WeakPolarHBondContact CA-OE2 3.23Å; T96-E122 WeakPolarHBondContact CB-OE2 3.21Å
97	V	92.4	Very high	94.6	Very high	42 Å²	42	49.7 Å²	49.7	26%	0.255	24%	0.239	S	C	.	.	H	α-helix	trans	-57.7	-38	175.3	178.8	0	0	0	0	111.5	H99 I100 S101 E122 E124	V97-H99 VanDerWaalsContact C-N 3.28Å; V97-H99 PolarHBondContact O-N 3.16Å; V97-I100 PolarHBondContact O-N 2.82Å; V97-S101 WeakPolarHBondContact O-CB 3.48Å; V97-S101 PolarHBondContact O-N 2.86Å; V97-S101 PolarHBondContact O-OG 3.06Å; V97-E122 HydrophobicContact CG2-CB 3.74Å; V97-E122 WeakPolarHBondContact CG2-OE2 3.48Å; V97-E122 PolarHBondContact N-OE2 3.08Å; V97-E124 HydrophobicContact CG2-CB 3.99Å
98	E	90	Very high	94.7	Very high	165 Å²	165	50.9 Å²	50.9	77%	0.771	25%	0.247	S	C	*	.	H	α-helix	trans	-62.5	-35.9	-178	-62.4	-173.7	172.3	0	0	112	T96 I100 H102	T96-E98 PolarHBondContact O-N 2.8Å; E98-I100 PolarHBondContact O-N 3.1Å; E98-H102 PolarHBondContact O-ND1 2.85Å
99	H	92.1	Very high	94.7	Very high	54 Å²	54	49 Å²	49	25%	0.25	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-37.3	179.1	-65.6	153.1	0	0	0	113.7	F74 I95 T96 V97 H102	F74-H99 HydrophobicContact CB-CB 4.5Å; F74-H99 HydrophobicContact CD1-CB 3.66Å; F74-H99 AromaticContact CD1-CG 3.76Å; F74-H99 HydrophobicContact CD2-CB 4.35Å; F74-H99 HydrophobicContact CE1-CB 3.83Å; F74-H99 HydrophobicContact CE2-CB 4.5Å; F74-H99 HydrophobicContact CG-CB 3.93Å; F74-H99 AromaticContact CG-CG 3.85Å; F74-H99 AromaticContact CG-ND1 3.94Å; F74-H99 HydrophobicContact CZ-CB 4.25Å; I95-H99 HydrophobicContact CG2-CB 4.27Å; T96-H99 PolarHBondContact N-ND1 2.79Å; T96-H99 WeakPolarHBondContact O-CB 3.46Å; T96-H99 PolarHBondContact O-N 2.91Å; T96-H99 PolarHBondContact OG1-CE1 3.49Å; T96-H99 PolarHBondContact OG1-ND1 3.4Å; V97-H99 VanDerWaalsContact C-N 3.28Å; V97-H99 PolarHBondContact O-N 3.16Å; H99-H102 PolarHBondContact O-CE1 2.99Å
100	I	91.9	Very high	94.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-115.6	-21.5	-168.8	61.4	171.9	0	0	0	114.5	F74 I95 V97 E98 H102 L103 F126 L129	F74-I100 HydrophobicContact CE2-CG2 4.11Å; F74-I100 HydrophobicContact CZ-CG2 4.05Å; I95-I100 HydrophobicContact CG2-CD1 4.27Å; I95-I100 HydrophobicContact CG2-CG1 4.42Å; I95-I100 HydrophobicContact CG2-CG2 3.65Å; V97-I100 PolarHBondContact O-N 2.82Å; E98-I100 PolarHBondContact O-N 3.1Å; I100-H102 PolarHBondContact O-N 3.07Å; I100-H102 VanDerWaalsContact O-N 3.1Å; I100-L103 HydrophobicContact CG2-CD1 4.48Å; I100-L103 WeakPolarHBondContact O-CB 3.47Å; I100-L103 PolarHBondContact O-N 3.26Å; I100-F126 HydrophobicContact CD1-CD1 4.25Å; I100-F126 HydrophobicContact CD1-CD2 4.37Å; I100-F126 HydrophobicContact CD1-CE1 4.25Å; I100-F126 HydrophobicContact CD1-CE2 4.36Å; I100-F126 HydrophobicContact CD1-CG 4.3Å; I100-F126 HydrophobicContact CD1-CZ 4.3Å; I100-L129 HydrophobicContact CD1-CD1 4.47Å; I100-L129 VanDerWaalsContact O-CD2 3.23Å; I100-L129 WeakPolarHBondContact O-CD2 3.48Å
101	S	90.7	Very high	94.7	Very high	30 Å²	30	45.9 Å²	45.9	21%	0.21	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.7	-171.2	55.4	0	0	0	0	115.2	V97 H104 M128	V97-S101 WeakPolarHBondContact O-CB 3.48Å; V97-S101 PolarHBondContact O-N 2.86Å; V97-S101 PolarHBondContact O-OG 3.06Å; S101-H104 PolarHBondContact O-CE1 2.94Å; S101-M128 WeakPolarHBondContact O-CB 3.36Å
102	H	90.6	Very high	94.7	Very high	65 Å²	65	44.8 Å²	44.8	30%	0.301	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.4	179.1	62.3	-84.1	0	0	0	113.5	N80 E98 H99 I100 H104	N80-H102 PolarHBondContact OD1-CD2 3.07Å; E98-H102 PolarHBondContact O-ND1 2.85Å; H99-H102 PolarHBondContact O-CE1 2.99Å; I100-H102 PolarHBondContact O-N 3.07Å; I100-H102 VanDerWaalsContact O-N 3.1Å; H102-H104 VanDerWaalsContact C-N 3.28Å; H102-H104 PolarHBondContact O-CD2 3.49Å; H102-H104 PolarHBondContact O-N 2.77Å
103	L	92.9	Very high	94.8	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.232	C	C	.	.			trans	-87.6	51	-172.6	-55.5	176.7	0	0	0	112.8	L78 I82 L85 I100 Q105 L106 L129	L78-L103 HydrophobicContact CD1-CD1 4.35Å; I82-L103 HydrophobicContact CD1-CD1 3.94Å; I82-L103 HydrophobicContact CD1-CD2 3.59Å; I82-L103 HydrophobicContact CD1-CG 4.3Å; I82-L103 HydrophobicContact CG1-CD2 3.77Å; L85-L103 HydrophobicContact CD2-CD1 4.39Å; I100-L103 HydrophobicContact CG2-CD1 4.48Å; I100-L103 WeakPolarHBondContact O-CB 3.47Å; I100-L103 PolarHBondContact O-N 3.26Å; L103-Q105 PolarHBondContact O-N 3.14Å; L103-L106 HydrophobicContact CB-CB 4.14Å; L103-L106 HydrophobicContact CD1-CD2 4.33Å; L103-L106 VanDerWaalsContact O-CB 3.25Å; L103-L106 WeakPolarHBondContact O-CB 3.28Å; L103-L106 PolarHBondContact O-N 3.17Å; L103-L129 HydrophobicContact CB-CD2 3.8Å; L103-L129 VanDerWaalsContact O-CD2 3.28Å; L103-L129 WeakPolarHBondContact O-CD2 3.25Å
104	H	92.4	Very high	94.9	Very high	79 Å²	79	41.9 Å²	41.9	37%	0.366	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.8	-171.7	-55.2	-59.8	0	0	0	115	S101 H102 M128	S101-H104 PolarHBondContact O-CE1 2.94Å; H102-H104 VanDerWaalsContact C-N 3.28Å; H102-H104 PolarHBondContact O-CD2 3.49Å; H102-H104 PolarHBondContact O-N 2.77Å; H104-M128 PolarHBondContact ND1-O 3.48Å
105	Q	95.1	Very high	95	Very high	92 Å²	92	42.1 Å²	42.1	43%	0.43	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	1.5	-179	-61.5	-173.6	-7.3	0	0	113.6	I82 L103 E107	I82-Q105 CarbonylContact O-C 3.42Å; L103-Q105 PolarHBondContact O-N 3.14Å; Q105-E107 PolarHBondContact O-N 3.44Å
106	L	96.9	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.			trans	-69.4	117.4	-175.8	-169.3	72.4	0	0	0	110.3	I82 L85 L103 T108 L109 L129 E131 L132	I82-L106 HydrophobicContact CD1-CD1 3.93Å; I82-L106 HydrophobicContact CG1-CD1 3.91Å; I82-L106 PolarHBondContact O-N 3.07Å; L85-L106 HydrophobicContact CB-CD1 3.77Å; L103-L106 HydrophobicContact CB-CB 4.14Å; L103-L106 HydrophobicContact CD1-CD2 4.33Å; L103-L106 VanDerWaalsContact O-CB 3.25Å; L103-L106 WeakPolarHBondContact O-CB 3.28Å; L103-L106 PolarHBondContact O-N 3.17Å; L106-T108 WeakPolarHBondContact CD1-O 3.21Å; L106-L109 HydrophobicContact CD2-CB 3.88Å; L106-L109 HydrophobicContact CD2-CD1 4.25Å; L106-L109 HydrophobicContact CD2-CD2 4.36Å; L106-L109 HydrophobicContact CD2-CG 4.39Å; L106-L129 HydrophobicContact CB-CD2 4.45Å; L106-L129 HydrophobicContact CD2-CD2 4.47Å; L106-E131 CarbonylContact O-C 3.54Å; L106-E131 VanDerWaalsContact O-C 3.29Å; L106-L132 HydrophobicContact CD2-CD1 4.37Å; L106-L132 HydrophobicContact CG-CD1 4.41Å; L106-L132 WeakPolarHBondContact O-CA 3.42Å; L106-L132 PolarHBondContact O-N 3.28Å; L106-L132 VanDerWaalsContact O-N 3.07Å
107	E	97.8	Very high	95.3	Very high	66 Å²	66	43.4 Å²	43.4	31%	0.308	21%	0.212	S	C	.	.			trans	-92.2	-33.8	178.3	-61.1	176.7	-161.9	0	0	111.5	R83 Q105 A133 Y134	R83-E107 HydrophobicContact CB-CG 4.38Å; R83-E107 IonicContact CZ-OE1 2.65Å; R83-E107 IonicContact NE-OE1 2.83Å; R83-E107 IonicContact NH1-OE1 3.63Å; R83-E107 PolarHBondContact NH1-OE1 3.16Å; R83-E107 WeakPolarHBondContact O-CA 3.49Å; R83-E107 WeakPolarHBondContact O-CB 3.23Å; R83-E107 PolarHBondContact O-N 3.32Å; Q105-E107 PolarHBondContact O-N 3.44Å; E107-A133 PolarHBondContact O-N 3.41Å; E107-Y134 PolarHBondContact O-N 2.81Å
108	T	98.4	Very high	95.5	Very high	26 Å²	26	43.4 Å²	43.4	16%	0.16	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.1	-177.5	-59.2	0	0	0	0	111.7	R83 Q84 L85 L106 Y134 Y136	R83-T108 PolarHBondContact O-N 2.94Å; Q84-T108 WeakPolarHBondContact CA-O 3.42Å; L85-T108 PolarHBondContact N-O 2.89Å; L106-T108 WeakPolarHBondContact CD1-O 3.21Å; T108-Y134 WeakPolarHBondContact CA-O 3.37Å; T108-Y136 HydrophobicContact CG2-CD2 4.38Å; T108-Y136 HydrophobicContact CG2-CE2 3.96Å
109	L	97.9	Very high	95.7	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	115.5	172.9	-179.6	54.6	0	0	0	110.1	L85 L106 L111 F126 L132 Y134 L135 Y136	L85-L109 HydrophobicContact CB-CD1 4.15Å; L85-L109 HydrophobicContact CD2-CD1 3.93Å; L85-L109 HydrophobicContact CG-CD1 4.13Å; L106-L109 HydrophobicContact CD2-CB 3.88Å; L106-L109 HydrophobicContact CD2-CD1 4.25Å; L106-L109 HydrophobicContact CD2-CD2 4.36Å; L106-L109 HydrophobicContact CD2-CG 4.39Å; L109-L111 HydrophobicContact CD1-CD1 4.18Å; L109-L111 HydrophobicContact CD1-CD2 4.4Å; L109-L111 HydrophobicContact CD1-CG 3.98Å; L109-L111 HydrophobicContact CD2-CD1 3.83Å; L109-L111 HydrophobicContact CG-CD1 3.85Å; L109-L111 HydrophobicContact CG-CG 4Å; L109-F126 HydrophobicContact CD2-CE1 4.05Å; L109-L132 HydrophobicContact CB-CD1 3.82Å; L109-Y134 PolarHBondContact N-O 3.5Å; L109-L135 HydrophobicContact CB-CD1 4.09Å; L109-L135 HydrophobicContact CD2-CD1 4.03Å; L109-L135 HydrophobicContact CG-CD1 4.14Å; L109-Y136 PolarHBondContact O-N 3.23Å
110	N	98.4	Very high	95.7	Very high	20 Å²	20	42.1 Å²	42.1	11%	0.107	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	110.8	178.6	-173.5	-1.7	0	0	0	111.7	L85 L87 Q88 Q112 Y136	L85-N110 PolarHBondContact O-N 3.32Å; L87-N110 PolarHBondContact N-O 2.94Å; Q88-N110 PolarHBondContact OE1-ND2 2.91Å; Q88-N110 VanDerWaalsContact OE1-ND2 3.07Å; N110-Q112 PolarHBondContact ND2-NE2 3.25Å; N110-Q112 WeakPolarHBondContact OD1-CG 3.33Å; N110-Q112 PolarHBondContact OD1-N 3.12Å; N110-Y136 HydrophobicContact CB-CD2 4.05Å
111	L	97.9	Very high	95.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.			trans	-120.7	17	-177.2	-70.9	167.7	0	0	0	112	L87 I95 L109 N114 L116 Y136 L137 N140	L87-L111 HydrophobicContact CB-CD2 3.9Å; L87-L111 HydrophobicContact CD1-CD2 3.8Å; L87-L111 HydrophobicContact CG-CD2 4.5Å; I95-L111 HydrophobicContact CD1-CD1 3.36Å; I95-L111 HydrophobicContact CD1-CD2 3.47Å; I95-L111 VanDerWaalsContact CD1-CD2 3.47Å; I95-L111 HydrophobicContact CD1-CG 4.05Å; L109-L111 HydrophobicContact CD1-CD1 4.18Å; L109-L111 HydrophobicContact CD1-CD2 4.4Å; L109-L111 HydrophobicContact CD1-CG 3.98Å; L109-L111 HydrophobicContact CD2-CD1 3.83Å; L109-L111 HydrophobicContact CG-CD1 3.85Å; L109-L111 HydrophobicContact CG-CG 4Å; L111-N114 PolarHBondContact O-ND2 3.25Å; L111-N114 VanDerWaalsContact O-ND2 3.14Å; L111-L116 HydrophobicContact CB-CD1 3.96Å; L111-L116 HydrophobicContact CD1-CD1 4.19Å; L111-L116 HydrophobicContact CD2-CD1 4.41Å; L111-L116 HydrophobicContact CG-CD1 4.43Å; L111-Y136 CarbonylContact C-O 3.45Å; L111-Y136 WeakPolarHBondContact CA-O 3.22Å; L111-Y136 WeakPolarHBondContact CB-O 3.17Å; L111-Y136 PolarHBondContact N-O 2.9Å; L111-L137 HydrophobicContact CB-CD2 3.82Å; L111-L137 HydrophobicContact CD1-CD2 3.74Å; L111-L137 HydrophobicContact CG-CD2 4.45Å; L111-N140 PolarHBondContact O-ND2 3.07Å
112	Q	97.9	Very high	95.8	Very high	47 Å²	47	45.1 Å²	45.1	22%	0.22	22%	0.219	C	C	.	.			trans	-65.3	154.6	-175	73.6	-173.1	-33	0	0	113	Q88 N89 N110 N114 Y136 A138	Q88-Q112 CarbonylContact C-O 3.47Å; Q88-Q112 WeakPolarHBondContact CA-O 3.39Å; Q88-Q112 HydrophobicContact CB-CG 3.59Å; N89-Q112 PolarHBondContact N-O 3.49Å; N110-Q112 PolarHBondContact ND2-NE2 3.25Å; N110-Q112 WeakPolarHBondContact OD1-CG 3.33Å; N110-Q112 PolarHBondContact OD1-N 3.12Å; Q112-N114 PolarHBondContact O-N 3.39Å; Q112-N114 PolarHBondContact O-ND2 3.05Å; Q112-Y136 PolarHBondContact N-O 3.09Å; Q112-A138 CarbonylContact C-O 3.44Å; Q112-A138 WeakPolarHBondContact CA-O 3.19Å; Q112-A138 HydrophobicContact CB-CB 4.41Å
113	N	98.3	Very high	95.6	Very high	60 Å²	60	43.3 Å²	43.3	32%	0.321	21%	0.212	S	C	.	.	S	Bend	trans	54.3	50.6	178.6	-59.1	-44.6	0	0	0	112.4	N89 N90 A138 N139	N89-N113 WeakPolarHBondContact CA-O 3.34Å; N89-N113 PolarHBondContact N-O 3.03Å; N89-N113 WeakPolarHBondContact OD1-CB 3.48Å; N89-N113 PolarHBondContact OD1-ND2 3.2Å; N90-N113 PolarHBondContact N-O 3.15Å; N113-A138 PolarHBondContact N-O 2.97Å; N113-N139 WeakPolarHBondContact CA-O 3.46Å; N113-N139 WeakPolarHBondContact OD1-CB 3.34Å; N113-N139 PolarHBondContact OD1-ND2 2.87Å
114	N	98.4	Very high	95.4	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	24%	0.237	C	C	.	.	S	Bend	trans	-119	-172.4	172.7	-86.8	-78.3	0	0	0	110.2	L87 N90 K91 I92 L111 Q112 L116 N140	L87-N114 PolarHBondContact O-ND2 3.39Å; N90-N114 WeakPolarHBondContact CA-OD1 3.25Å; N90-N114 WeakPolarHBondContact CB-OD1 3.17Å; N90-N114 PolarHBondContact O-OD1 2.84Å; K91-N114 PolarHBondContact N-OD1 3.39Å; I92-N114 WeakPolarHBondContact CB-OD1 3.33Å; I92-N114 WeakPolarHBondContact CG1-OD1 3.33Å; I92-N114 PolarHBondContact N-OD1 3.4Å; L111-N114 PolarHBondContact O-ND2 3.25Å; L111-N114 VanDerWaalsContact O-ND2 3.14Å; Q112-N114 PolarHBondContact O-N 3.39Å; Q112-N114 PolarHBondContact O-ND2 3.05Å; N114-L116 HydrophobicContact CB-CD1 4.47Å; N114-L116 HydrophobicContact CB-CG 4.21Å; N114-N140 VanDerWaalsContact CA-OD1 3.26Å; N114-N140 WeakPolarHBondContact CA-OD1 3.17Å; N114-N140 WeakPolarHBondContact CB-OD1 3.26Å; N114-N140 PolarHBondContact N-OD1 3.07Å; N114-N140 PolarHBondContact O-OD1 2.92Å; N114-N140 VanDerWaalsContact O-OD1 3.09Å
115	W	97.8	Very high	95.2	Very high	106 Å²	106	45 Å²	45	40%	0.402	22%	0.22	S	C	.	.			trans	-109.1	23.7	178.7	-65.5	-9.7	0	0	0	113	K91 I92 K93 T117 N140	K91-W115 HydrophobicContact CB-CD2 4.17Å; K91-W115 HydrophobicContact CB-CE3 3.87Å; K91-W115 HydrophobicContact CB-CH2 4.18Å; K91-W115 HydrophobicContact CB-CZ2 4.43Å; K91-W115 HydrophobicContact CB-CZ3 3.89Å; K91-W115 HydrophobicContact CD-CH2 3.87Å; K91-W115 HydrophobicContact CD-CZ2 4.26Å; K91-W115 HydrophobicContact CD-CZ3 4.26Å; K91-W115 HydrophobicContact CG-CD2 4.43Å; K91-W115 HydrophobicContact CG-CE3 4.37Å; K91-W115 HydrophobicContact CG-CH2 3.86Å; K91-W115 HydrophobicContact CG-CZ2 3.89Å; K91-W115 HydrophobicContact CG-CZ3 4.1Å; I92-W115 CarbonylContact O-C 3.23Å; I92-W115 VanDerWaalsContact O-C 3.23Å; I92-W115 WeakPolarHBondContact O-CA 3.45Å; I92-W115 PolarHBondContact O-N 3.49Å; K93-W115 HydrophobicContact CG-CB 4.07Å; K93-W115 HydrophobicContact CG-CE3 4.45Å; W115-T117 PolarHBondContact O-N 3.31Å; W115-N140 PolarHBondContact N-OD1 3.16Å
116	L	97.4	Very high	95.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.			trans	-60.1	130.1	-177.8	-62.9	168.1	0	0	0	110.8	I92 I95 L111 N114 L137 N140 K141 L142	I92-L116 HydrophobicContact CG2-CD2 4.02Å; I92-L116 PolarHBondContact O-N 3.12Å; I95-L116 HydrophobicContact CD1-CD1 3.99Å; I95-L116 HydrophobicContact CD1-CD2 3.86Å; I95-L116 HydrophobicContact CG1-CD2 3.79Å; L111-L116 HydrophobicContact CB-CD1 3.96Å; L111-L116 HydrophobicContact CD1-CD1 4.19Å; L111-L116 HydrophobicContact CD2-CD1 4.41Å; L111-L116 HydrophobicContact CG-CD1 4.43Å; N114-L116 HydrophobicContact CB-CD1 4.47Å; N114-L116 HydrophobicContact CB-CG 4.21Å; L116-L137 HydrophobicContact CD1-CD2 3.86Å; L116-N140 HydrophobicContact CB-CB 4.23Å; L116-N140 WeakPolarHBondContact CB-OD1 3.41Å; L116-N140 WeakPolarHBondContact CG-OD1 3.39Å; L116-N140 PolarHBondContact N-OD1 3.24Å; L116-N140 VanDerWaalsContact N-OD1 3.07Å; L116-K141 CarbonylContact O-C 3.59Å; L116-K141 VanDerWaalsContact O-C 3.24Å; L116-K141 VanDerWaalsContact O-CA 3.25Å; L116-K141 WeakPolarHBondContact O-CA 3.13Å; L116-K141 WeakPolarHBondContact O-CB 3.25Å; L116-K141 PolarHBondContact O-N 3.42Å; L116-L142 HydrophobicContact CB-CD2 4.21Å; L116-L142 PolarHBondContact O-N 3.44Å
117	T	96.9	Very high	94.7	Very high	52 Å²	52	45.8 Å²	45.8	32%	0.319	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-105.6	165.5	170.6	66.8	0	0	0	0	109.5	W115 E119 G120 L121 K141	W115-T117 PolarHBondContact O-N 3.31Å; T117-E119 PolarHBondContact O-N 3.21Å; T117-G120 CarbonylContact O-C 3.36Å; T117-G120 PolarHBondContact O-N 3.32Å; T117-G120 PolarHBondContact OG1-N 3.34Å; T117-G120 VanDerWaalsContact OG1-N 3.12Å; T117-L121 PolarHBondContact O-N 3.4Å; T117-K141 HydrophobicContact CG2-CB 4.2Å
118	T	95.4	Very high	94.4	Very high	43 Å²	43	46.8 Å²	46.8	26%	0.264	23%	0.229	S	C	.	.	S	Bend	trans	-63	-31.4	174.7	-64.1	0	0	0	0	112.3	L121 S143 S144	T118-L121 PolarHBondContact O-N 3.23Å; T118-S143 WeakPolarHBondContact CB-OG 3.25Å; T118-S143 PolarHBondContact OG1-N 3.23Å; T118-S143 PolarHBondContact OG1-OG 3.21Å; T118-S143 VanDerWaalsContact OG1-OG 3.13Å; T118-S144 PolarHBondContact OG1-N 2.84Å; T118-S144 PolarHBondContact OG1-O 3.4Å; T118-S144 VanDerWaalsContact OG1-O 3.07Å
119	E	94.3	Very high	94.2	Very high	186 Å²	186	45.6 Å²	45.6	87%	0.869	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-30.6	176.5	-66.9	177.5	174.6	0	0	112.2	T117 L121	T117-E119 PolarHBondContact O-N 3.21Å; E119-L121 PolarHBondContact O-N 3.37Å
120	G	92.4	Very high	94.1	Very high	6 Å²	6	51.8 Å²	51.8	6%	0.062	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	15.9	174.2	0	0	0	0	0	113.5	E94 I95 T117	E94-G120 CarbonylContact C-O 3.51Å; E94-G120 WeakPolarHBondContact CA-O 3.38Å; I95-G120 PolarHBondContact N-O 3.19Å; T117-G120 CarbonylContact O-C 3.36Å; T117-G120 PolarHBondContact O-N 3.32Å; T117-G120 PolarHBondContact OG1-N 3.34Å; T117-G120 VanDerWaalsContact OG1-N 3.12Å
121	L	93.6	Very high	94	Very high	16 Å²	16	55.7 Å²	55.7	8%	0.084	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-130.4	96.1	178.8	-168.2	68	0	0	0	109.2	I95 T117 T118 E119 D123 F126 L137 L142 P146	I95-L121 HydrophobicContact CB-CD1 4.02Å; I95-L121 HydrophobicContact CD1-CD1 4.32Å; T117-L121 PolarHBondContact O-N 3.4Å; T118-L121 PolarHBondContact O-N 3.23Å; E119-L121 PolarHBondContact O-N 3.37Å; L121-D123 PolarHBondContact O-N 3.27Å; L121-F126 HydrophobicContact CD1-CE2 3.81Å; L121-F126 HydrophobicContact CD1-CZ 3.83Å; L121-F126 HydrophobicContact CD2-CE2 3.99Å; L121-F126 HydrophobicContact CD2-CZ 4.26Å; L121-F126 HydrophobicContact CG-CE2 3.85Å; L121-F126 HydrophobicContact CG-CZ 4.29Å; L121-L137 HydrophobicContact CD2-CD1 4.46Å; L121-L142 HydrophobicContact CD2-CD2 4.16Å; L121-P146 HydrophobicContact CD2-CG 3.88Å
122	E	91.6	Very high	94	Very high	78 Å²	78	55.7 Å²	55.7	36%	0.364	27%	0.268	S	S	.	.			trans	-76.9	106.8	175.3	-62.2	-174.7	154.9	0	0	109.1	I95 T96 V97 E124	I95-E122 PolarHBondContact O-N 3.07Å; I95-E122 VanDerWaalsContact O-N 3.15Å; T96-E122 VanDerWaalsContact CA-OE2 3.25Å; T96-E122 WeakPolarHBondContact CA-OE2 3.23Å; T96-E122 WeakPolarHBondContact CB-OE2 3.21Å; V97-E122 HydrophobicContact CG2-CB 3.74Å; V97-E122 WeakPolarHBondContact CG2-OE2 3.48Å; V97-E122 PolarHBondContact N-OE2 3.08Å; E122-E124 VanDerWaalsContact C-N 3.33Å; E122-E124 PolarHBondContact O-N 3.44Å
123	D	86.3	Confident	94	Very high	26 Å²	26	54.2 Å²	54.2	14%	0.139	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-79.6	-14.4	-167.2	56.8	9.4	0	0	0	114.3	L121 G125 F126 P146 R147	L121-D123 PolarHBondContact O-N 3.27Å; D123-G125 PolarHBondContact O-N 2.88Å; D123-F126 HydrophobicContact CB-CD2 4.27Å; D123-F126 PolarHBondContact O-N 2.94Å; D123-F126 VanDerWaalsContact O-N 3.16Å; D123-P146 HydrophobicContact CB-CB 3.77Å; D123-R147 VanDerWaalsContact OD2-CB 3.28Å; D123-R147 WeakPolarHBondContact OD2-CB 3.34Å; D123-R147 WeakPolarHBondContact OD2-CG 3.28Å; D123-R147 PolarHBondContact OD2-N 3.43Å
124	E	88.6	Confident	94	Very high	117 Å²	117	55.8 Å²	55.8	55%	0.547	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-60	-27.6	174.8	-61.6	85.8	173	0	0	112.3	V97 E122 F126 E127	V97-E124 HydrophobicContact CG2-CB 3.99Å; E122-E124 VanDerWaalsContact C-N 3.33Å; E122-E124 PolarHBondContact O-N 3.44Å; E124-F126 VanDerWaalsContact C-N 3.32Å; E124-F126 PolarHBondContact O-N 3.13Å; E124-E127 PolarHBondContact O-N 2.71Å
125	G	88.4	Confident	94	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-68.3	-28.1	178.7	0	0	0	0	0	113.8	D123 E127 M128	D123-G125 PolarHBondContact O-N 2.88Å; G125-E127 VanDerWaalsContact C-N 3.29Å; G125-E127 PolarHBondContact O-N 3.45Å; G125-M128 PolarHBondContact O-N 3.07Å
126	F	92.8	Very high	94.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-69.9	-25.8	-179.2	-70.6	-76.6	0	0	0	113.1	I100 L109 L121 D123 E124 M128 L129 L132 L135 P146 L149 P150	I100-F126 HydrophobicContact CD1-CD1 4.25Å; I100-F126 HydrophobicContact CD1-CD2 4.37Å; I100-F126 HydrophobicContact CD1-CE1 4.25Å; I100-F126 HydrophobicContact CD1-CE2 4.36Å; I100-F126 HydrophobicContact CD1-CG 4.3Å; I100-F126 HydrophobicContact CD1-CZ 4.3Å; L109-F126 HydrophobicContact CD2-CE1 4.05Å; L121-F126 HydrophobicContact CD1-CE2 3.81Å; L121-F126 HydrophobicContact CD1-CZ 3.83Å; L121-F126 HydrophobicContact CD2-CE2 3.99Å; L121-F126 HydrophobicContact CD2-CZ 4.26Å; L121-F126 HydrophobicContact CG-CE2 3.85Å; L121-F126 HydrophobicContact CG-CZ 4.29Å; D123-F126 HydrophobicContact CB-CD2 4.27Å; D123-F126 PolarHBondContact O-N 2.94Å; D123-F126 VanDerWaalsContact O-N 3.16Å; E124-F126 VanDerWaalsContact C-N 3.32Å; E124-F126 PolarHBondContact O-N 3.13Å; F126-M128 PolarHBondContact O-N 2.83Å; F126-L129 HydrophobicContact CD1-CD1 3.9Å; F126-L129 PolarHBondContact O-N 2.96Å; F126-L132 HydrophobicContact CD1-CD2 4.39Å; F126-L135 HydrophobicContact CD1-CD2 4.41Å; F126-L135 HydrophobicContact CE1-CD1 3.97Å; F126-L135 HydrophobicContact CE1-CD2 4.14Å; F126-P146 HydrophobicContact CE2-CG 4.38Å; F126-L149 HydrophobicContact CB-CD2 4.29Å; F126-L149 HydrophobicContact CD1-CD2 4.4Å; F126-L149 HydrophobicContact CG-CD2 4.17Å; F126-P150 WeakPolarHBondContact O-CD 3.4Å; F126-P150 WeakPolarHBondContact O-CG 3.42Å
127	E	88.4	Confident	94.1	Very high	107 Å²	107	54 Å²	54	50%	0.5	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-64.6	-26.9	177.4	-68.9	-171.6	-158.8	0	0	112.4	E124 G125 L129 V148	E124-E127 PolarHBondContact O-N 2.71Å; G125-E127 VanDerWaalsContact C-N 3.29Å; G125-E127 PolarHBondContact O-N 3.45Å; E127-L129 VanDerWaalsContact C-N 3.3Å; E127-L129 PolarHBondContact O-N 2.76Å; E127-V148 HydrophobicContact CG-CB 4.06Å; E127-V148 HydrophobicContact CG-CG1 3.65Å; E127-V148 VanDerWaalsContact OE1-CB 3.31Å; E127-V148 WeakPolarHBondContact OE1-CB 3.22Å; E127-V148 VanDerWaalsContact OE1-CG1 3.32Å; E127-V148 WeakPolarHBondContact OE1-CG1 3.37Å; E127-V148 WeakPolarHBondContact OE1-CG2 3.37Å
128	M	91.5	Very high	94.2	Very high	88 Å²	88	51.7 Å²	51.7	43%	0.433	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-81	-10.1	-179.1	-53.8	-61.2	-81.4	0	0	113	S101 H104 G125 F126 E130	S101-M128 WeakPolarHBondContact O-CB 3.36Å; H104-M128 PolarHBondContact ND1-O 3.48Å; G125-M128 PolarHBondContact O-N 3.07Å; F126-M128 PolarHBondContact O-N 2.83Å; M128-E130 VanDerWaalsContact C-N 3.34Å; M128-E130 PolarHBondContact O-N 3.31Å; M128-E130 VanDerWaalsContact O-N 3.12Å
129	L	95	Very high	94.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.253	C	S	.	.			trans	-86.7	71.7	180	-56.6	178.1	0	0	0	110.5	I100 L103 L106 F126 E127 E131 L132 P150	I100-L129 HydrophobicContact CD1-CD1 4.47Å; I100-L129 VanDerWaalsContact O-CD2 3.23Å; I100-L129 WeakPolarHBondContact O-CD2 3.48Å; L103-L129 HydrophobicContact CB-CD2 3.8Å; L103-L129 VanDerWaalsContact O-CD2 3.28Å; L103-L129 WeakPolarHBondContact O-CD2 3.25Å; L106-L129 HydrophobicContact CB-CD2 4.45Å; L106-L129 HydrophobicContact CD2-CD2 4.47Å; F126-L129 HydrophobicContact CD1-CD1 3.9Å; F126-L129 PolarHBondContact O-N 2.96Å; E127-L129 VanDerWaalsContact C-N 3.3Å; E127-L129 PolarHBondContact O-N 2.76Å; L129-E131 PolarHBondContact O-N 3.07Å; L129-E131 VanDerWaalsContact O-N 3.16Å; L129-L132 HydrophobicContact CB-CB 3.84Å; L129-L132 HydrophobicContact CB-CD2 4.38Å; L129-L132 HydrophobicContact CD1-CD2 3.89Å; L129-L132 WeakPolarHBondContact O-CB 3.43Å; L129-L132 PolarHBondContact O-N 2.93Å; L129-L132 VanDerWaalsContact O-N 3.16Å; L129-P150 WeakPolarHBondContact O-CB 3.32Å
130	E	93.9	Very high	94.5	Very high	131 Å²	131	44.9 Å²	44.9	61%	0.612	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.2	-168.9	-63.8	-176.7	-174.7	0	0	114.8	M128 S152	M128-E130 VanDerWaalsContact C-N 3.34Å; M128-E130 PolarHBondContact O-N 3.31Å; M128-E130 VanDerWaalsContact O-N 3.12Å; E130-S152 WeakPolarHBondContact O-CB 3.48Å; E130-S152 PolarHBondContact O-OG 3.24Å
131	E	96.9	Very high	94.8	Very high	103 Å²	103	49.1 Å²	49.1	48%	0.481	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	3.9	-178.3	-64.7	-61.5	160.1	0	0	113.8	L106 L129 A133	L106-E131 CarbonylContact O-C 3.54Å; L106-E131 VanDerWaalsContact O-C 3.29Å; L129-E131 PolarHBondContact O-N 3.07Å; L129-E131 VanDerWaalsContact O-N 3.16Å; E131-A133 PolarHBondContact O-N 3.01Å
132	L	98	Very high	95	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.227	C	C	.	.			trans	-64.4	113.2	-175	-174.2	72.8	0	0	0	111	L106 L109 F126 L129 L135 P150 S152 L153	L106-L132 HydrophobicContact CD2-CD1 4.37Å; L106-L132 HydrophobicContact CG-CD1 4.41Å; L106-L132 WeakPolarHBondContact O-CA 3.42Å; L106-L132 PolarHBondContact O-N 3.28Å; L106-L132 VanDerWaalsContact O-N 3.07Å; L109-L132 HydrophobicContact CB-CD1 3.82Å; F126-L132 HydrophobicContact CD1-CD2 4.39Å; L129-L132 HydrophobicContact CB-CB 3.84Å; L129-L132 HydrophobicContact CB-CD2 4.38Å; L129-L132 HydrophobicContact CD1-CD2 3.89Å; L129-L132 WeakPolarHBondContact O-CB 3.43Å; L129-L132 PolarHBondContact O-N 2.93Å; L129-L132 VanDerWaalsContact O-N 3.16Å; L132-L135 HydrophobicContact CD2-CB 4.3Å; L132-L135 HydrophobicContact CD2-CD1 4.48Å; L132-P150 HydrophobicContact CB-CG 3.88Å; L132-P150 HydrophobicContact CD2-CG 3.99Å; L132-P150 HydrophobicContact CG-CG 4.46Å; L132-S152 PolarHBondContact N-OG 2.81Å; L132-S152 CarbonylContact O-C 3.6Å; L132-S152 VanDerWaalsContact O-C 3.29Å; L132-S152 WeakPolarHBondContact O-CB 3.19Å; L132-S152 PolarHBondContact O-OG 3.27Å; L132-L153 HydrophobicContact CD2-CD1 4.38Å; L132-L153 HydrophobicContact CG-CD1 4.34Å; L132-L153 WeakPolarHBondContact O-CA 3.5Å; L132-L153 PolarHBondContact O-N 2.96Å
133	A	98.5	Very high	95.3	Very high	15 Å²	15	47.3 Å²	47.3	12%	0.124	23%	0.228	C	C	.	.			trans	-102.6	-35.1	-179	0	0	0	0	0	111.9	E107 E131 V154 S155	E107-A133 PolarHBondContact O-N 3.41Å; E131-A133 PolarHBondContact O-N 3.01Å; A133-V154 HydrophobicContact CB-CB 4.33Å; A133-V154 HydrophobicContact CB-CG2 3.94Å; A133-V154 WeakPolarHBondContact O-CA 3.43Å; A133-V154 WeakPolarHBondContact O-CB 3.11Å; A133-V154 PolarHBondContact O-N 3.07Å; A133-S155 PolarHBondContact O-N 3.24Å
134	Y	98.8	Very high	95.8	Very high	93 Å²	93	47 Å²	47	37%	0.365	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119.6	-174.5	-56.9	-86.6	0	0	0	111	E107 T108 L109 V154	E107-Y134 PolarHBondContact O-N 2.81Å; T108-Y134 WeakPolarHBondContact CA-O 3.37Å; L109-Y134 PolarHBondContact N-O 3.5Å; Y134-V154 HydrophobicContact CE1-CB 4.48Å; Y134-V154 HydrophobicContact CE1-CG1 4.32Å
135	L	98.5	Very high	96.2	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.4	177.9	179.2	60.4	0	0	0	110.3	L109 F126 L132 L137 L149 L153 S155 D157 F158	L109-L135 HydrophobicContact CB-CD1 4.09Å; L109-L135 HydrophobicContact CD2-CD1 4.03Å; L109-L135 HydrophobicContact CG-CD1 4.14Å; F126-L135 HydrophobicContact CD1-CD2 4.41Å; F126-L135 HydrophobicContact CE1-CD1 3.97Å; F126-L135 HydrophobicContact CE1-CD2 4.14Å; L132-L135 HydrophobicContact CD2-CB 4.3Å; L132-L135 HydrophobicContact CD2-CD1 4.48Å; L135-L137 HydrophobicContact CD1-CD1 4.11Å; L135-L137 HydrophobicContact CD1-CG 4.13Å; L135-L137 HydrophobicContact CD2-CD1 3.85Å; L135-L137 HydrophobicContact CG-CD1 3.95Å; L135-L137 HydrophobicContact CG-CG 4.22Å; L135-L149 HydrophobicContact CD2-CD1 4.32Å; L135-L149 HydrophobicContact CD2-CD2 3.7Å; L135-L153 HydrophobicContact CB-CD1 3.96Å; L135-S155 PolarHBondContact N-O 3.16Å; L135-S155 VanDerWaalsContact N-O 3.13Å; L135-D157 PolarHBondContact O-N 3.16Å; L135-F158 HydrophobicContact CD2-CZ 4.22Å
136	Y	98.6	Very high	96.5	Very high	71 Å²	71	41.7 Å²	41.7	28%	0.278	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	109.8	178	-53.2	-82.7	0	0	0	110.8	T108 L109 N110 L111 Q112 D157	T108-Y136 HydrophobicContact CG2-CD2 4.38Å; T108-Y136 HydrophobicContact CG2-CE2 3.96Å; L109-Y136 PolarHBondContact O-N 3.23Å; N110-Y136 HydrophobicContact CB-CD2 4.05Å; L111-Y136 CarbonylContact C-O 3.45Å; L111-Y136 WeakPolarHBondContact CA-O 3.22Å; L111-Y136 WeakPolarHBondContact CB-O 3.17Å; L111-Y136 PolarHBondContact N-O 2.9Å; Q112-Y136 PolarHBondContact N-O 3.09Å; Y136-D157 HydrophobicContact CD1-CB 3.86Å
137	L	98.2	Very high	96.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.229	C	C	.	.			trans	-120.1	13.9	179	-77.1	165.2	0	0	0	112	L111 L116 L121 L135 N140 L142 D157 F158 N161	L111-L137 HydrophobicContact CB-CD2 3.82Å; L111-L137 HydrophobicContact CD1-CD2 3.74Å; L111-L137 HydrophobicContact CG-CD2 4.45Å; L116-L137 HydrophobicContact CD1-CD2 3.86Å; L121-L137 HydrophobicContact CD2-CD1 4.46Å; L135-L137 HydrophobicContact CD1-CD1 4.11Å; L135-L137 HydrophobicContact CD1-CG 4.13Å; L135-L137 HydrophobicContact CD2-CD1 3.85Å; L135-L137 HydrophobicContact CG-CD1 3.95Å; L135-L137 HydrophobicContact CG-CG 4.22Å; L137-N140 PolarHBondContact O-ND2 3.37Å; L137-L142 HydrophobicContact CB-CD1 4.16Å; L137-L142 HydrophobicContact CD1-CD1 4.34Å; L137-L142 HydrophobicContact CD2-CD1 4.47Å; L137-D157 CarbonylContact C-O 3.21Å; L137-D157 WeakPolarHBondContact CA-O 3.2Å; L137-D157 PolarHBondContact N-O 2.95Å; L137-F158 HydrophobicContact CB-CD1 4.17Å; L137-F158 HydrophobicContact CB-CE1 4.22Å; L137-F158 HydrophobicContact CD1-CD1 4.14Å; L137-F158 HydrophobicContact CD1-CE1 3.36Å; L137-F158 HydrophobicContact CD1-CZ 3.66Å; L137-F158 HydrophobicContact CG-CE1 4.43Å; L137-N161 PolarHBondContact O-ND2 2.98Å
138	A	98.5	Very high	96.8	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.033	22%	0.216	C	C	.	.			trans	-59.9	152.4	-177.2	0	0	0	0	0	113	Q112 N113 N140 D157 A159	Q112-A138 CarbonylContact C-O 3.44Å; Q112-A138 WeakPolarHBondContact CA-O 3.19Å; Q112-A138 HydrophobicContact CB-CB 4.41Å; N113-A138 PolarHBondContact N-O 2.97Å; A138-N140 PolarHBondContact O-N 2.97Å; A138-N140 PolarHBondContact O-ND2 3.24Å; A138-D157 PolarHBondContact N-O 3.5Å; A138-A159 CarbonylContact C-O 3.58Å; A138-A159 WeakPolarHBondContact CA-O 3.46Å; A138-A159 HydrophobicContact CB-CB 4.31Å
139	N	98.5	Very high	97.1	Very high	76 Å²	76	41 Å²	41	41%	0.406	20%	0.196	S	C	.	.	S	Bend	trans	54.7	50.5	177.7	-62.9	-57.1	0	0	0	113.4	N113 A159 A160	N113-N139 WeakPolarHBondContact CA-O 3.46Å; N113-N139 WeakPolarHBondContact OD1-CB 3.34Å; N113-N139 PolarHBondContact OD1-ND2 2.87Å; N139-A159 PolarHBondContact N-O 3.45Å; N139-A160 VanDerWaalsContact CA-O 3.28Å; N139-A160 WeakPolarHBondContact CA-O 3.49Å; N139-A160 PolarHBondContact N-O 3.36Å; N139-A160 WeakPolarHBondContact OD1-CB 3Å
140	N	98.4	Very high	97.1	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.053	20%	0.196	C	C	.	.	S	Bend	trans	-117.4	-164.6	171.7	-84.7	-78.7	0	0	0	110.1	L111 N114 W115 L116 L137 A138 L142 N161	L111-N140 PolarHBondContact O-ND2 3.07Å; N114-N140 VanDerWaalsContact CA-OD1 3.26Å; N114-N140 WeakPolarHBondContact CA-OD1 3.17Å; N114-N140 WeakPolarHBondContact CB-OD1 3.26Å; N114-N140 PolarHBondContact N-OD1 3.07Å; N114-N140 PolarHBondContact O-OD1 2.92Å; N114-N140 VanDerWaalsContact O-OD1 3.09Å; W115-N140 PolarHBondContact N-OD1 3.16Å; L116-N140 HydrophobicContact CB-CB 4.23Å; L116-N140 WeakPolarHBondContact CB-OD1 3.41Å; L116-N140 WeakPolarHBondContact CG-OD1 3.39Å; L116-N140 PolarHBondContact N-OD1 3.24Å; L116-N140 VanDerWaalsContact N-OD1 3.07Å; L137-N140 PolarHBondContact O-ND2 3.37Å; A138-N140 PolarHBondContact O-N 2.97Å; A138-N140 PolarHBondContact O-ND2 3.24Å; N140-L142 HydrophobicContact CB-CG 4.23Å; N140-N161 VanDerWaalsContact CA-OD1 3.25Å; N140-N161 WeakPolarHBondContact CA-OD1 2.92Å; N140-N161 WeakPolarHBondContact CB-OD1 3.28Å; N140-N161 PolarHBondContact N-OD1 2.77Å; N140-N161 PolarHBondContact O-OD1 3.02Å
141	K	98	Very high	97.3	Very high	95 Å²	95	38.7 Å²	38.7	41%	0.413	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-114.8	26.9	179.8	-59.1	177.8	-175.1	168	0	112	L116 T117 S143 N161	L116-K141 CarbonylContact O-C 3.59Å; L116-K141 VanDerWaalsContact O-C 3.24Å; L116-K141 VanDerWaalsContact O-CA 3.25Å; L116-K141 WeakPolarHBondContact O-CA 3.13Å; L116-K141 WeakPolarHBondContact O-CB 3.25Å; L116-K141 PolarHBondContact O-N 3.42Å; T117-K141 HydrophobicContact CG2-CB 4.2Å; K141-S143 PolarHBondContact O-N 3.45Å; K141-N161 PolarHBondContact N-OD1 2.61Å
142	L	98	Very high	97.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.172	C	C	.	.			trans	-66.1	130.2	-179.1	-56.3	177.9	0	0	0	110.6	L116 L121 L137 N140 F158 N161 Q162 L163	L116-L142 HydrophobicContact CB-CD2 4.21Å; L116-L142 PolarHBondContact O-N 3.44Å; L121-L142 HydrophobicContact CD2-CD2 4.16Å; L137-L142 HydrophobicContact CB-CD1 4.16Å; L137-L142 HydrophobicContact CD1-CD1 4.34Å; L137-L142 HydrophobicContact CD2-CD1 4.47Å; N140-L142 HydrophobicContact CB-CG 4.23Å; L142-F158 HydrophobicContact CD1-CD1 4.18Å; L142-F158 HydrophobicContact CD1-CE1 4.28Å; L142-N161 HydrophobicContact CB-CB 4.29Å; L142-N161 WeakPolarHBondContact CB-OD1 3.4Å; L142-N161 WeakPolarHBondContact CG-OD1 3.41Å; L142-N161 PolarHBondContact N-OD1 2.94Å; L142-Q162 CarbonylContact O-C 3.29Å; L142-Q162 WeakPolarHBondContact O-CA 3.47Å; L142-Q162 WeakPolarHBondContact O-CB 3.47Å; L142-Q162 PolarHBondContact O-N 3.09Å; L142-L163 HydrophobicContact CB-CD2 3.7Å; L142-L163 PolarHBondContact O-N 2.93Å
143	S	97.4	Very high	97.3	Very high	55 Å²	55	34.2 Å²	34.2	39%	0.385	17%	0.172	S	C	.	.	S	Bend	trans	-97.2	-22.6	175.9	52.8	0	0	0	0	113.7	T118 K141 L163 S164	T118-S143 WeakPolarHBondContact CB-OG 3.25Å; T118-S143 PolarHBondContact OG1-N 3.23Å; T118-S143 PolarHBondContact OG1-OG 3.21Å; T118-S143 VanDerWaalsContact OG1-OG 3.13Å; K141-S143 PolarHBondContact O-N 3.45Å; S143-L163 CarbonylContact O-C 3.45Å; S143-L163 WeakPolarHBondContact O-CA 3.4Å; S143-S164 PolarHBondContact O-N 3.42Å; S143-S164 PolarHBondContact O-OG 2.9Å
144	S	97.4	Very high	97.3	Very high	19 Å²	19	35 Å²	35	13%	0.133	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-141.2	149.5	173.6	-54.1	0	0	0	0	109.2	T118 L163	T118-S144 PolarHBondContact OG1-N 2.84Å; T118-S144 PolarHBondContact OG1-O 3.4Å; T118-S144 VanDerWaalsContact OG1-O 3.07Å; S144-L163 WeakPolarHBondContact O-CD2 3.46Å
145	A	96.6	Very high	97.3	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.025	16%	0.16	C	C	.	.			trans	-74.8	156.9	174.8	0	0	0	0	0	110.8	R147 F158 L163 R165 I166 Y167 T170	A145-R147 PolarHBondContact O-N 2.96Å; A145-F158 HydrophobicContact CB-CE1 4.45Å; A145-L163 HydrophobicContact CB-CD1 4.47Å; A145-L163 HydrophobicContact CB-CD2 4.48Å; A145-R165 PolarHBondContact N-O 3.17Å; A145-R165 VanDerWaalsContact N-O 3.12Å; A145-I166 HydrophobicContact CB-CD1 3.5Å; A145-Y167 VanDerWaalsContact O-CD2 3.3Å; A145-Y167 WeakPolarHBondContact O-CD2 3.4Å; A145-Y167 VanDerWaalsContact O-CE2 3.22Å; A145-Y167 WeakPolarHBondContact O-CE2 3.47Å; A145-T170 HydrophobicContact CB-CG2 3.82Å
146	P	95.4	Very high	97.3	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.026	16%	0.16	C	C	.	.			trans	-50	135.7	168.5	-28.2	36.6	0	0	0	111.2	L121 D123 F126 V148 L149 F158 T170	L121-P146 HydrophobicContact CD2-CG 3.88Å; D123-P146 HydrophobicContact CB-CB 3.77Å; F126-P146 HydrophobicContact CE2-CG 4.38Å; P146-V148 VanDerWaalsContact C-N 3.28Å; P146-V148 PolarHBondContact O-N 2.84Å; P146-L149 HydrophobicContact CB-CD2 3.88Å; P146-L149 HydrophobicContact CB-CG 4.38Å; P146-L149 HydrophobicContact CG-CD2 4.15Å; P146-F158 HydrophobicContact CG-CE1 4.09Å; P146-F158 HydrophobicContact CG-CZ 4.12Å; P146-T170 WeakPolarHBondContact O-CB 3.35Å; P146-T170 WeakPolarHBondContact O-CG2 3.09Å; P146-T170 PolarHBondContact O-OG1 3.42Å
147	R	94.7	Very high	97.3	Very high	142 Å²	142	28.8 Å²	28.8	54%	0.536	15%	0.154	S	C	.	.	S	Bend	trans	-63.8	-37.6	-179.4	-68.8	172	-179	-97	4.3	111.7	D123 A145 Y167 Y169 T170	D123-R147 VanDerWaalsContact OD2-CB 3.28Å; D123-R147 WeakPolarHBondContact OD2-CB 3.34Å; D123-R147 WeakPolarHBondContact OD2-CG 3.28Å; D123-R147 PolarHBondContact OD2-N 3.43Å; A145-R147 PolarHBondContact O-N 2.96Å; R147-Y167 HydrophobicContact CB-CD2 4.28Å; R147-Y167 HydrophobicContact CB-CG 4.35Å; R147-Y167 HydrophobicContact CG-CD1 4.2Å; R147-Y167 HydrophobicContact CG-CD2 3.75Å; R147-Y167 HydrophobicContact CG-CE1 4.23Å; R147-Y167 HydrophobicContact CG-CE2 3.79Å; R147-Y167 HydrophobicContact CG-CG 3.96Å; R147-Y169 CarbonylContact O-C 3.07Å; R147-Y169 VanDerWaalsContact O-C 3.27Å; R147-Y169 WeakPolarHBondContact O-CB 3.32Å; R147-T170 PolarHBondContact O-N 3.15Å; R147-T170 VanDerWaalsContact O-N 3.14Å
148	V	92.8	Very high	97.3	Very high	38 Å²	38	28.8 Å²	28.8	23%	0.23	15%	0.154	C	C	.	.			trans	-132.7	140.1	-179.1	-168.8	0	0	0	0	109.2	E127 P146	E127-V148 HydrophobicContact CG-CB 4.06Å; E127-V148 HydrophobicContact CG-CG1 3.65Å; E127-V148 VanDerWaalsContact OE1-CB 3.31Å; E127-V148 WeakPolarHBondContact OE1-CB 3.22Å; E127-V148 VanDerWaalsContact OE1-CG1 3.32Å; E127-V148 WeakPolarHBondContact OE1-CG1 3.37Å; E127-V148 WeakPolarHBondContact OE1-CG2 3.37Å; P146-V148 VanDerWaalsContact C-N 3.28Å; P146-V148 PolarHBondContact O-N 2.84Å
149	L	96.4	Very high	97.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.153	C	C	.	.			trans	-126	161.2	169	-68.2	-180	0	0	0	108.3	F126 L135 P146 L153 F158 T170 F171 K174	F126-L149 HydrophobicContact CB-CD2 4.29Å; F126-L149 HydrophobicContact CD1-CD2 4.4Å; F126-L149 HydrophobicContact CG-CD2 4.17Å; L135-L149 HydrophobicContact CD2-CD1 4.32Å; L135-L149 HydrophobicContact CD2-CD2 3.7Å; P146-L149 HydrophobicContact CB-CD2 3.88Å; P146-L149 HydrophobicContact CB-CG 4.38Å; P146-L149 HydrophobicContact CG-CD2 4.15Å; L149-L153 HydrophobicContact CB-CD2 4.23Å; L149-L153 HydrophobicContact CD1-CD2 3.73Å; L149-F158 HydrophobicContact CD1-CE2 3.98Å; L149-F158 HydrophobicContact CD1-CZ 4.03Å; L149-T170 WeakPolarHBondContact CB-O 3.31Å; L149-T170 HydrophobicContact CD1-CG2 3.99Å; L149-T170 WeakPolarHBondContact CD1-O 3.4Å; L149-T170 HydrophobicContact CG-CG2 4.44Å; L149-F171 HydrophobicContact CD1-CE1 4.35Å; L149-K174 VanDerWaalsContact C-CE 3.42Å; L149-K174 WeakPolarHBondContact O-CE 3.24Å; L149-K174 PolarHBondContact O-NZ 3.01Å
150	P	96.1	Very high	97.4	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.144	C	C	.	.			trans	-73.5	149.8	-176.7	27.6	-34.1	0	0	0	112.4	F126 L129 L132 S152 L153 K174	F126-P150 WeakPolarHBondContact O-CD 3.4Å; F126-P150 WeakPolarHBondContact O-CG 3.42Å; L129-P150 WeakPolarHBondContact O-CB 3.32Å; L132-P150 HydrophobicContact CB-CG 3.88Å; L132-P150 HydrophobicContact CD2-CG 3.99Å; L132-P150 HydrophobicContact CG-CG 4.46Å; P150-S152 PolarHBondContact O-N 3.12Å; P150-L153 WeakPolarHBondContact O-CB 3.29Å; P150-L153 PolarHBondContact O-N 2.81Å; P150-K174 WeakPolarHBondContact O-CD 3.43Å; P150-K174 WeakPolarHBondContact O-CE 3.48Å
151	P	96.7	Very high	97.4	Very high	80 Å²	80	26.4 Å²	26.4	52%	0.519	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.3	-177	27.7	-35.1	0	0	0	114.8	L153	P151-L153 PolarHBondContact O-N 3.03Å
152	S	97.7	Very high	97.4	Very high	9 Å²	9	25.8 Å²	25.8	6%	0.063	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17	176.7	47.9	0	0	0	0	114.2	E130 L132 P150 V154	E130-S152 WeakPolarHBondContact O-CB 3.48Å; E130-S152 PolarHBondContact O-OG 3.24Å; L132-S152 PolarHBondContact N-OG 2.81Å; L132-S152 CarbonylContact O-C 3.6Å; L132-S152 VanDerWaalsContact O-C 3.29Å; L132-S152 WeakPolarHBondContact O-CB 3.19Å; L132-S152 PolarHBondContact O-OG 3.27Å; P150-S152 PolarHBondContact O-N 3.12Å; S152-V154 PolarHBondContact O-N 3.45Å
153	L	98.3	Very high	97.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.			trans	-59	130.4	-168.4	-157.7	69.7	0	0	0	112.9	L132 L135 L149 P150 P151 A156 K176 L177	L132-L153 HydrophobicContact CD2-CD1 4.38Å; L132-L153 HydrophobicContact CG-CD1 4.34Å; L132-L153 WeakPolarHBondContact O-CA 3.5Å; L132-L153 PolarHBondContact O-N 2.96Å; L135-L153 HydrophobicContact CB-CD1 3.96Å; L149-L153 HydrophobicContact CB-CD2 4.23Å; L149-L153 HydrophobicContact CD1-CD2 3.73Å; P150-L153 WeakPolarHBondContact O-CB 3.29Å; P150-L153 PolarHBondContact O-N 2.81Å; P151-L153 PolarHBondContact O-N 3.03Å; L153-A156 HydrophobicContact CD2-CB 3.77Å; L153-K176 CarbonylContact O-C 3.5Å; L153-L177 HydrophobicContact CB-CD1 4.48Å; L153-L177 HydrophobicContact CD2-CD1 4.22Å; L153-L177 HydrophobicContact CG-CD1 4.25Å; L153-L177 VanDerWaalsContact O-CA 3.26Å; L153-L177 WeakPolarHBondContact O-CA 3.34Å; L153-L177 PolarHBondContact O-N 3.49Å; L153-L177 VanDerWaalsContact O-N 3.15Å
154	V	98.7	Very high	97.4	Very high	32 Å²	32	25.7 Å²	25.7	19%	0.194	14%	0.143	C	C	.	.	S	Bend	trans	-107.2	-38.9	178.1	178.8	0	0	0	0	110.7	A133 Y134 S152 K176 R178 S179	A133-V154 HydrophobicContact CB-CB 4.33Å; A133-V154 HydrophobicContact CB-CG2 3.94Å; A133-V154 WeakPolarHBondContact O-CA 3.43Å; A133-V154 WeakPolarHBondContact O-CB 3.11Å; A133-V154 PolarHBondContact O-N 3.07Å; Y134-V154 HydrophobicContact CE1-CB 4.48Å; Y134-V154 HydrophobicContact CE1-CG1 4.32Å; S152-V154 PolarHBondContact O-N 3.45Å; V154-K176 HydrophobicContact CG2-CB 4.09Å; V154-R178 HydrophobicContact CG1-CB 4.31Å; V154-R178 HydrophobicContact CG1-CG 4.04Å; V154-R178 PolarHBondContact O-N 2.88Å; V154-S179 PolarHBondContact O-N 3.06Å
155	S	98.8	Very high	97.4	Very high	7 Å²	7	31 Å²	31	5%	0.049	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.8	179.7	-165.9	0	0	0	0	111.5	A133 L135 S179	A133-S155 PolarHBondContact O-N 3.24Å; L135-S155 PolarHBondContact N-O 3.16Å; L135-S155 VanDerWaalsContact N-O 3.13Å; S155-S179 WeakPolarHBondContact CA-O 3.22Å; S155-S179 VanDerWaalsContact CB-OG 3.27Å; S155-S179 WeakPolarHBondContact CB-OG 3.37Å; S155-S179 PolarHBondContact OG-OG 3.29Å
156	A	98.6	Very high	97.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	119.3	178.2	0	0	0	0	0	110.4	L153 F158 F171 S179 V180 Y181	L153-A156 HydrophobicContact CD2-CB 3.77Å; A156-F158 HydrophobicContact CB-CD2 4.15Å; A156-F158 HydrophobicContact CB-CE2 3.95Å; A156-F171 HydrophobicContact CB-CD1 4.41Å; A156-F171 HydrophobicContact CB-CE1 3.8Å; A156-S179 PolarHBondContact N-O 3.13Å; A156-S179 VanDerWaalsContact N-O 3.09Å; A156-V180 WeakPolarHBondContact O-CA 3.3Å; A156-Y181 PolarHBondContact O-N 2.95Å
157	D	98.8	Very high	97.5	Very high	27 Å²	27	32.9 Å²	32.9	14%	0.144	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111.1	176.6	-169.1	-5.4	0	0	0	111.6	L135 Y136 L137 A138 A159 Y181	L135-D157 PolarHBondContact O-N 3.16Å; Y136-D157 HydrophobicContact CD1-CB 3.86Å; L137-D157 CarbonylContact C-O 3.21Å; L137-D157 WeakPolarHBondContact CA-O 3.2Å; L137-D157 PolarHBondContact N-O 2.95Å; A138-D157 PolarHBondContact N-O 3.5Å; D157-A159 WeakPolarHBondContact OD1-CB 3.43Å; D157-A159 PolarHBondContact OD1-N 2.78Å; D157-Y181 HydrophobicContact CB-CD2 4.16Å; D157-Y181 WeakPolarHBondContact OD1-CB 3.45Å
158	F	98.6	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.			trans	-118.5	18.2	178.4	-76.7	-86.9	0	0	0	111.6	L135 L137 L142 A145 P146 L149 A156 N161 L163 F171 Y181 L182 N185	L135-F158 HydrophobicContact CD2-CZ 4.22Å; L137-F158 HydrophobicContact CB-CD1 4.17Å; L137-F158 HydrophobicContact CB-CE1 4.22Å; L137-F158 HydrophobicContact CD1-CD1 4.14Å; L137-F158 HydrophobicContact CD1-CE1 3.36Å; L137-F158 HydrophobicContact CD1-CZ 3.66Å; L137-F158 HydrophobicContact CG-CE1 4.43Å; L142-F158 HydrophobicContact CD1-CD1 4.18Å; L142-F158 HydrophobicContact CD1-CE1 4.28Å; A145-F158 HydrophobicContact CB-CE1 4.45Å; P146-F158 HydrophobicContact CG-CE1 4.09Å; P146-F158 HydrophobicContact CG-CZ 4.12Å; L149-F158 HydrophobicContact CD1-CE2 3.98Å; L149-F158 HydrophobicContact CD1-CZ 4.03Å; A156-F158 HydrophobicContact CB-CD2 4.15Å; A156-F158 HydrophobicContact CB-CE2 3.95Å; F158-N161 PolarHBondContact O-ND2 2.91Å; F158-L163 HydrophobicContact CB-CD1 3.78Å; F158-L163 HydrophobicContact CD1-CD1 4.14Å; F158-L163 HydrophobicContact CG-CD1 4.28Å; F158-F171 HydrophobicContact CD2-CE1 4.06Å; F158-F171 AromaticContact CD2-CZ 3.89Å; F158-F171 HydrophobicContact CD2-CZ 3.89Å; F158-F171 AromaticContact CE2-CE1 3.89Å; F158-F171 HydrophobicContact CE2-CE1 3.89Å; F158-F171 HydrophobicContact CE2-CZ 4.04Å; F158-Y181 CarbonylContact C-O 3.34Å; F158-Y181 WeakPolarHBondContact CA-O 3.31Å; F158-Y181 WeakPolarHBondContact CB-O 3.49Å; F158-Y181 PolarHBondContact N-O 3.23Å; F158-L182 HydrophobicContact CB-CD2 3.92Å; F158-N185 PolarHBondContact O-ND2 2.73Å
159	A	98.7	Very high	97.8	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.025	17%	0.166	C	C	.	.			trans	-62.5	157.5	-175.9	0	0	0	0	0	113	A138 N139 D157 N161 Y181 H183	A138-A159 CarbonylContact C-O 3.58Å; A138-A159 WeakPolarHBondContact CA-O 3.46Å; A138-A159 HydrophobicContact CB-CB 4.31Å; N139-A159 PolarHBondContact N-O 3.45Å; D157-A159 WeakPolarHBondContact OD1-CB 3.43Å; D157-A159 PolarHBondContact OD1-N 2.78Å; A159-N161 VanDerWaalsContact C-N 3.3Å; A159-N161 PolarHBondContact O-N 3.35Å; A159-N161 PolarHBondContact O-ND2 2.83Å; A159-Y181 PolarHBondContact N-O 2.98Å; A159-H183 CarbonylContact C-O 3.56Å; A159-H183 VanDerWaalsContact CA-O 3.27Å; A159-H183 WeakPolarHBondContact CA-O 2.97Å; A159-H183 WeakPolarHBondContact CB-CE1 3.46Å; A159-H183 WeakPolarHBondContact CB-NE2 3.34Å
160	A	98.6	Very high	97.8	Very high	26 Å²	26	32.2 Å²	32.2	22%	0.215	17%	0.166	C	C	.	.	S	Bend	trans	53.9	44.7	171.6	0	0	0	0	0	113.7	N139 H183 N184	N139-A160 VanDerWaalsContact CA-O 3.28Å; N139-A160 WeakPolarHBondContact CA-O 3.49Å; N139-A160 PolarHBondContact N-O 3.36Å; N139-A160 WeakPolarHBondContact OD1-CB 3Å; A160-H183 PolarHBondContact N-O 2.57Å; A160-N184 WeakPolarHBondContact CA-O 3.32Å; A160-N184 HydrophobicContact CB-CB 4.31Å; A160-N184 PolarHBondContact N-O 3.38Å
161	N	98.7	Very high	97.8	Very high	11 Å²	11	32.2 Å²	32.2	6%	0.059	17%	0.165	C	C	.	.	S	Bend	trans	-113.4	-162.3	173.8	-89.2	-83.1	0	0	0	109.6	L137 N140 K141 L142 F158 A159 L163 N184 N185	L137-N161 PolarHBondContact O-ND2 2.98Å; N140-N161 VanDerWaalsContact CA-OD1 3.25Å; N140-N161 WeakPolarHBondContact CA-OD1 2.92Å; N140-N161 WeakPolarHBondContact CB-OD1 3.28Å; N140-N161 PolarHBondContact N-OD1 2.77Å; N140-N161 PolarHBondContact O-OD1 3.02Å; K141-N161 PolarHBondContact N-OD1 2.61Å; L142-N161 HydrophobicContact CB-CB 4.29Å; L142-N161 WeakPolarHBondContact CB-OD1 3.4Å; L142-N161 WeakPolarHBondContact CG-OD1 3.41Å; L142-N161 PolarHBondContact N-OD1 2.94Å; F158-N161 PolarHBondContact O-ND2 2.91Å; A159-N161 VanDerWaalsContact C-N 3.3Å; A159-N161 PolarHBondContact O-N 3.35Å; A159-N161 PolarHBondContact O-ND2 2.83Å; N161-L163 HydrophobicContact CB-CG 3.97Å; N161-N184 PolarHBondContact N-O 2.69Å; N161-N185 VanDerWaalsContact CA-OD1 3.22Å; N161-N185 WeakPolarHBondContact CA-OD1 3.17Å; N161-N185 WeakPolarHBondContact CB-OD1 3.39Å; N161-N185 PolarHBondContact N-OD1 3.42Å; N161-N185 PolarHBondContact O-OD1 3.24Å
162	Q	98.3	Very high	97.9	Very high	82 Å²	82	28.4 Å²	28.4	38%	0.383	14%	0.141	S	C	.	.			trans	-114	26.9	174.7	-54.3	-171	41.1	0	0	111.7	L142 S164 N185 K186	L142-Q162 CarbonylContact O-C 3.29Å; L142-Q162 WeakPolarHBondContact O-CA 3.47Å; L142-Q162 WeakPolarHBondContact O-CB 3.47Å; L142-Q162 PolarHBondContact O-N 3.09Å; Q162-S164 PolarHBondContact O-N 2.81Å; Q162-N185 PolarHBondContact N-OD1 2.82Å; Q162-K186 HydrophobicContact CB-CD 4.11Å
163	L	98.5	Very high	97.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.			trans	-60.2	125.4	-171.2	-63.2	-177	0	0	0	111.2	L142 S143 S144 A145 F158 N161 I166 L182 N185 K186 L187	L142-L163 HydrophobicContact CB-CD2 3.7Å; L142-L163 PolarHBondContact O-N 2.93Å; S143-L163 CarbonylContact O-C 3.45Å; S143-L163 WeakPolarHBondContact O-CA 3.4Å; S144-L163 WeakPolarHBondContact O-CD2 3.46Å; A145-L163 HydrophobicContact CB-CD1 4.47Å; A145-L163 HydrophobicContact CB-CD2 4.48Å; F158-L163 HydrophobicContact CB-CD1 3.78Å; F158-L163 HydrophobicContact CD1-CD1 4.14Å; F158-L163 HydrophobicContact CG-CD1 4.28Å; N161-L163 HydrophobicContact CB-CG 3.97Å; L163-I166 HydrophobicContact CD1-CD1 4.18Å; L163-L182 HydrophobicContact CD1-CD2 4.05Å; L163-N185 HydrophobicContact CB-CB 4.06Å; L163-N185 VanDerWaalsContact CB-OD1 3.28Å; L163-N185 WeakPolarHBondContact CB-OD1 3.42Å; L163-N185 VanDerWaalsContact CG-OD1 3.29Å; L163-N185 WeakPolarHBondContact CG-OD1 3.14Å; L163-N185 PolarHBondContact N-OD1 2.85Å; L163-K186 CarbonylContact O-C 3.57Å; L163-K186 WeakPolarHBondContact O-CA 3.21Å; L163-K186 WeakPolarHBondContact O-CB 2.9Å; L163-K186 PolarHBondContact O-N 2.97Å; L163-L187 HydrophobicContact CB-CD2 4.12Å; L163-L187 HydrophobicContact CB-CG 4.41Å; L163-L187 PolarHBondContact O-N 3.39Å
164	S	98.1	Very high	97.8	Very high	55 Å²	55	31.9 Å²	31.9	39%	0.385	16%	0.156	S	C	.	.			trans	-112.8	-12.5	176.1	61.7	0	0	0	0	112.4	S143 Q162 G191	S143-S164 PolarHBondContact O-N 3.42Å; S143-S164 PolarHBondContact O-OG 2.9Å; Q162-S164 PolarHBondContact O-N 2.81Å; S164-G191 VanDerWaalsContact O-CA 3.24Å; S164-G191 WeakPolarHBondContact O-CA 3.26Å
165	R	97.5	Very high	97.7	Very high	131 Å²	131	34 Å²	34	49%	0.494	17%	0.17	S	C	.	.	B	Isolated β-bridge	trans	-150.1	139.8	-176.1	-176.3	176.7	-70.7	159.5	-3	112.1	A145 Y167 G191	A145-R165 PolarHBondContact N-O 3.17Å; A145-R165 VanDerWaalsContact N-O 3.12Å; R165-Y167 HydrophobicContact CG-CE1 4.44Å; R165-G191 WeakPolarHBondContact CA-O 3.27Å
166	I	97.4	Very high	97.7	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	19%	0.191	C	C	.	.			trans	-115.3	151.4	167.4	-56.1	-57.8	0	0	0	108.6	A145 L163 T170 F171 L182 L187 G191 L192 P193	A145-I166 HydrophobicContact CB-CD1 3.5Å; L163-I166 HydrophobicContact CD1-CD1 4.18Å; I166-T170 HydrophobicContact CG2-CG2 4.33Å; I166-F171 HydrophobicContact CD1-CE2 4.14Å; I166-F171 HydrophobicContact CG1-CE2 4.47Å; I166-F171 HydrophobicContact CG2-CD2 3.78Å; I166-F171 HydrophobicContact CG2-CE2 3.72Å; I166-L182 HydrophobicContact CD1-CD2 3.81Å; I166-L187 HydrophobicContact CD1-CD2 4.26Å; I166-L187 HydrophobicContact CG1-CD2 3.93Å; I166-G191 PolarHBondContact N-O 3.02Å; I166-L192 HydrophobicContact CB-CD2 4.34Å; I166-L192 HydrophobicContact CG1-CD2 3.91Å; I166-P193 WeakPolarHBondContact O-CD 3.21Å
167	Y	96.5	Very high	97.7	Very high	41 Å²	41	39.1 Å²	39.1	16%	0.161	19%	0.191	C	C	.	.			trans	-109.3	156.3	176.8	-59.9	-86.3	0	0	0	111.3	A145 R147 R165 Y169 T170	A145-Y167 VanDerWaalsContact O-CD2 3.3Å; A145-Y167 WeakPolarHBondContact O-CD2 3.4Å; A145-Y167 VanDerWaalsContact O-CE2 3.22Å; A145-Y167 WeakPolarHBondContact O-CE2 3.47Å; R147-Y167 HydrophobicContact CB-CD2 4.28Å; R147-Y167 HydrophobicContact CB-CG 4.35Å; R147-Y167 HydrophobicContact CG-CD1 4.2Å; R147-Y167 HydrophobicContact CG-CD2 3.75Å; R147-Y167 HydrophobicContact CG-CE1 4.23Å; R147-Y167 HydrophobicContact CG-CE2 3.79Å; R147-Y167 HydrophobicContact CG-CG 3.96Å; R165-Y167 HydrophobicContact CG-CE1 4.44Å; Y167-Y169 VanDerWaalsContact C-N 3.27Å; Y167-Y169 PolarHBondContact O-N 3.42Å; Y167-T170 WeakPolarHBondContact CB-OG1 3.28Å; Y167-T170 PolarHBondContact N-OG1 3.26Å; Y167-T170 VanDerWaalsContact N-OG1 3.15Å; Y167-T170 VanDerWaalsContact O-CB 3.31Å; Y167-T170 WeakPolarHBondContact O-CB 3.3Å; Y167-T170 PolarHBondContact O-N 3.14Å; Y167-T170 VanDerWaalsContact O-N 3.15Å; Y167-T170 PolarHBondContact O-OG1 3.31Å; Y167-T170 VanDerWaalsContact O-OG1 3.09Å
168	P	96.1	Very high	97.7	Very high	39 Å²	39	42.9 Å²	42.9	25%	0.253	20%	0.204	S	C	.	.	H	α-helix	trans	-56.9	-36.4	-177.7	-28.6	36.6	0	0	0	114.7	G172 P193 N195	P168-G172 VanDerWaalsContact O-CA 3.26Å; P168-G172 WeakPolarHBondContact O-CA 3.25Å; P168-G172 PolarHBondContact O-N 3.41Å; P168-P193 HydrophobicContact CG-CB 4.11Å; P168-P193 HydrophobicContact CG-CG 4.07Å; P168-N195 WeakPolarHBondContact CG-OD1 3.31Å
169	Y	95.9	Very high	97.7	Very high	129 Å²	129	43.5 Å²	43.5	51%	0.506	21%	0.208	S	C	.	.	H	α-helix	trans	-91.5	-3.1	-177.7	-66.4	-79.9	0	0	0	114	R147 Y167 H173 K174	R147-Y169 CarbonylContact O-C 3.07Å; R147-Y169 VanDerWaalsContact O-C 3.27Å; R147-Y169 WeakPolarHBondContact O-CB 3.32Å; Y167-Y169 VanDerWaalsContact C-N 3.27Å; Y167-Y169 PolarHBondContact O-N 3.42Å; Y169-H173 AromaticContact CD1-CE1 3.91Å; Y169-H173 AromaticContact CD1-ND1 3.44Å; Y169-H173 WeakPolarHBondContact CD1-ND1 3.33Å; Y169-H173 AromaticContact CE1-CE1 3.32Å; Y169-H173 WeakPolarHBondContact CE1-CE1 3.43Å; Y169-H173 AromaticContact CE1-ND1 3.33Å; Y169-H173 VanDerWaalsContact CE1-ND1 3.33Å; Y169-H173 WeakPolarHBondContact CE1-ND1 3.44Å; Y169-K174 PolarHBondContact O-NZ 3.15Å
170	T	96.9	Very high	97.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-55.2	170.7	-51.2	0	0	0	0	108.9	A145 P146 R147 L149 I166 Y167	A145-T170 HydrophobicContact CB-CG2 3.82Å; P146-T170 WeakPolarHBondContact O-CB 3.35Å; P146-T170 WeakPolarHBondContact O-CG2 3.09Å; P146-T170 PolarHBondContact O-OG1 3.42Å; R147-T170 PolarHBondContact O-N 3.15Å; R147-T170 VanDerWaalsContact O-N 3.14Å; L149-T170 WeakPolarHBondContact CB-O 3.31Å; L149-T170 HydrophobicContact CD1-CG2 3.99Å; L149-T170 WeakPolarHBondContact CD1-O 3.4Å; L149-T170 HydrophobicContact CG-CG2 4.44Å; I166-T170 HydrophobicContact CG2-CG2 4.33Å; Y167-T170 WeakPolarHBondContact CB-OG1 3.28Å; Y167-T170 PolarHBondContact N-OG1 3.26Å; Y167-T170 VanDerWaalsContact N-OG1 3.15Å; Y167-T170 VanDerWaalsContact O-CB 3.31Å; Y167-T170 WeakPolarHBondContact O-CB 3.3Å; Y167-T170 PolarHBondContact O-N 3.14Å; Y167-T170 VanDerWaalsContact O-N 3.15Å; Y167-T170 PolarHBondContact O-OG1 3.31Å; Y167-T170 VanDerWaalsContact O-OG1 3.09Å
171	F	97.6	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-116.1	-8.3	-179.5	-52.4	-58.6	0	0	0	114.2	L149 A156 F158 I166 K174 L177 V180 L182 M196 F197 S200	L149-F171 HydrophobicContact CD1-CE1 4.35Å; A156-F171 HydrophobicContact CB-CD1 4.41Å; A156-F171 HydrophobicContact CB-CE1 3.8Å; F158-F171 HydrophobicContact CD2-CE1 4.06Å; F158-F171 AromaticContact CD2-CZ 3.89Å; F158-F171 HydrophobicContact CD2-CZ 3.89Å; F158-F171 AromaticContact CE2-CE1 3.89Å; F158-F171 HydrophobicContact CE2-CE1 3.89Å; F158-F171 HydrophobicContact CE2-CZ 4.04Å; I166-F171 HydrophobicContact CD1-CE2 4.14Å; I166-F171 HydrophobicContact CG1-CE2 4.47Å; I166-F171 HydrophobicContact CG2-CD2 3.78Å; I166-F171 HydrophobicContact CG2-CE2 3.72Å; F171-K174 WeakPolarHBondContact O-CG 3.15Å; F171-L177 HydrophobicContact CB-CD2 4.05Å; F171-L177 HydrophobicContact CD1-CD2 4.45Å; F171-V180 HydrophobicContact CD1-CG1 4.25Å; F171-V180 HydrophobicContact CD1-CG2 3.87Å; F171-V180 HydrophobicContact CD2-CG1 4.32Å; F171-V180 HydrophobicContact CE1-CG1 3.88Å; F171-V180 HydrophobicContact CE1-CG2 4.14Å; F171-V180 HydrophobicContact CE2-CG1 3.95Å; F171-V180 HydrophobicContact CG-CG1 4.46Å; F171-V180 HydrophobicContact CG-CG2 4.27Å; F171-V180 HydrophobicContact CZ-CG1 3.72Å; F171-L182 HydrophobicContact CE2-CD1 3.97Å; F171-L182 HydrophobicContact CE2-CD2 4.08Å; F171-L182 HydrophobicContact CE2-CG 4.41Å; F171-L182 HydrophobicContact CZ-CD2 4.03Å; F171-L182 HydrophobicContact CZ-CG 4.5Å; F171-M196 CarbonylContact C-O 3.56Å; F171-M196 WeakPolarHBondContact CB-O 3.03Å; F171-F197 HydrophobicContact CB-CD1 3.63Å; F171-F197 HydrophobicContact CB-CE1 3.46Å; F171-F197 VanDerWaalsContact CB-CE1 3.46Å; F171-F197 HydrophobicContact CD2-CE1 4.03Å; F171-F197 HydrophobicContact CD2-CZ 4.39Å; F171-F197 AromaticContact CG-CE1 3.9Å; F171-F197 HydrophobicContact CG-CE1 3.9Å; F171-S200 WeakPolarHBondContact O-CB 3.39Å; F171-S200 PolarHBondContact O-OG 3.25Å
172	G	97.1	Very high	97.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	154.6	174.3	0	0	0	0	0	112.5	P168 K174 M196 N198	P168-G172 VanDerWaalsContact O-CA 3.26Å; P168-G172 WeakPolarHBondContact O-CA 3.25Å; P168-G172 PolarHBondContact O-N 3.41Å; G172-K174 VanDerWaalsContact C-N 3.31Å; G172-K174 WeakPolarHBondContact O-CG 3.48Å; G172-K174 PolarHBondContact O-N 3.4Å; G172-K174 PolarHBondContact O-NZ 3.09Å; G172-M196 PolarHBondContact N-O 2.99Å; G172-N198 CarbonylContact C-O 3.17Å; G172-N198 VanDerWaalsContact CA-O 3.28Å; G172-N198 WeakPolarHBondContact CA-O 3.45Å
173	H	96.9	Very high	97.8	Very high	76 Å²	76	43.6 Å²	43.6	35%	0.352	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	37	-179.5	-51.8	83.2	0	0	0	113.2	Y169 P175 N198 S200	Y169-H173 AromaticContact CD1-CE1 3.91Å; Y169-H173 AromaticContact CD1-ND1 3.44Å; Y169-H173 WeakPolarHBondContact CD1-ND1 3.33Å; Y169-H173 AromaticContact CE1-CE1 3.32Å; Y169-H173 WeakPolarHBondContact CE1-CE1 3.43Å; Y169-H173 AromaticContact CE1-ND1 3.33Å; Y169-H173 VanDerWaalsContact CE1-ND1 3.33Å; Y169-H173 WeakPolarHBondContact CE1-ND1 3.44Å; H173-P175 VanDerWaalsContact O-CD 3.32Å; H173-P175 WeakPolarHBondContact O-CD 3.43Å; H173-N198 PolarHBondContact N-O 2.83Å; H173-S200 PolarHBondContact N-OG 3.19Å
174	K	97.8	Very high	97.8	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.026	22%	0.221	C	C	.	.			trans	-115.4	80.8	179.9	-51.9	-55.8	-174.5	-95.1	0	109.2	L149 P150 Y169 F171 G172 K176 L177 S200	L149-K174 VanDerWaalsContact C-CE 3.42Å; L149-K174 WeakPolarHBondContact O-CE 3.24Å; L149-K174 PolarHBondContact O-NZ 3.01Å; P150-K174 WeakPolarHBondContact O-CD 3.43Å; P150-K174 WeakPolarHBondContact O-CE 3.48Å; Y169-K174 PolarHBondContact O-NZ 3.15Å; F171-K174 WeakPolarHBondContact O-CG 3.15Å; G172-K174 VanDerWaalsContact C-N 3.31Å; G172-K174 WeakPolarHBondContact O-CG 3.48Å; G172-K174 PolarHBondContact O-N 3.4Å; G172-K174 PolarHBondContact O-NZ 3.09Å; K174-K176 PolarHBondContact O-N 2.86Å; K174-K176 VanDerWaalsContact O-N 3.07Å; K174-L177 HydrophobicContact CB-CB 3.62Å; K174-L177 HydrophobicContact CB-CD2 4.09Å; K174-L177 HydrophobicContact CB-CG 4.36Å; K174-L177 HydrophobicContact CG-CD2 4.44Å; K174-L177 VanDerWaalsContact O-CB 3.31Å; K174-L177 WeakPolarHBondContact O-CB 3.27Å; K174-L177 PolarHBondContact O-N 3.49Å; K174-S200 PolarHBondContact N-OG 2.96Å
175	P	97.5	Very high	97.8	Very high	76 Å²	76	45.2 Å²	45.2	49%	0.494	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.8	-171.2	26.2	-36.3	0	0	0	113.9	H173 T202	H173-P175 VanDerWaalsContact O-CD 3.32Å; H173-P175 WeakPolarHBondContact O-CD 3.43Å; P175-T202 WeakPolarHBondContact O-CG2 3.33Å; P175-T202 PolarHBondContact O-OG1 3.06Å
176	K	98.1	Very high	97.9	Very high	115 Å²	115	43.7 Å²	43.7	50%	0.5	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-3.4	178.2	-60.9	-178.3	-177.4	173.6	0	113.8	L153 V154 K174 R178	L153-K176 CarbonylContact O-C 3.5Å; V154-K176 HydrophobicContact CG2-CB 4.09Å; K174-K176 PolarHBondContact O-N 2.86Å; K174-K176 VanDerWaalsContact O-N 3.07Å; K176-R178 PolarHBondContact O-N 3.22Å
177	L	98.7	Very high	97.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.201	C	C	.	.			trans	-68.4	118.8	-171.1	-171.6	69.5	0	0	0	111.6	L153 F171 K174 V180 T202 L203	L153-L177 HydrophobicContact CB-CD1 4.48Å; L153-L177 HydrophobicContact CD2-CD1 4.22Å; L153-L177 HydrophobicContact CG-CD1 4.25Å; L153-L177 VanDerWaalsContact O-CA 3.26Å; L153-L177 WeakPolarHBondContact O-CA 3.34Å; L153-L177 PolarHBondContact O-N 3.49Å; L153-L177 VanDerWaalsContact O-N 3.15Å; F171-L177 HydrophobicContact CB-CD2 4.05Å; F171-L177 HydrophobicContact CD1-CD2 4.45Å; K174-L177 HydrophobicContact CB-CB 3.62Å; K174-L177 HydrophobicContact CB-CD2 4.09Å; K174-L177 HydrophobicContact CB-CG 4.36Å; K174-L177 HydrophobicContact CG-CD2 4.44Å; K174-L177 VanDerWaalsContact O-CB 3.31Å; K174-L177 WeakPolarHBondContact O-CB 3.27Å; K174-L177 PolarHBondContact O-N 3.49Å; L177-V180 HydrophobicContact CD1-CG2 4.05Å; L177-V180 HydrophobicContact CD2-CG2 3.71Å; L177-V180 HydrophobicContact CG-CG2 4.06Å; L177-T202 PolarHBondContact N-OG1 2.71Å; L177-T202 CarbonylContact O-C 3.47Å; L177-T202 PolarHBondContact O-OG1 3.24Å; L177-T202 VanDerWaalsContact O-OG1 3.08Å; L177-L203 HydrophobicContact CD2-CD1 4.2Å; L177-L203 HydrophobicContact CG-CD1 4.05Å; L177-L203 WeakPolarHBondContact O-CA 3.26Å; L177-L203 PolarHBondContact O-N 2.78Å
178	R	98.8	Very high	98	Very high	107 Å²	107	44.2 Å²	44.2	40%	0.404	21%	0.21	S	C	.	.			trans	-107.2	-32.1	-179.3	-62.4	-59.5	-175.6	163.3	-6.9	113.3	V154 K176 T202 E204 I205	V154-R178 HydrophobicContact CG1-CB 4.31Å; V154-R178 HydrophobicContact CG1-CG 4.04Å; V154-R178 PolarHBondContact O-N 2.88Å; K176-R178 PolarHBondContact O-N 3.22Å; R178-T202 VanDerWaalsContact CD-O 3.25Å; R178-T202 WeakPolarHBondContact CD-O 3.42Å; R178-E204 IonicContact CZ-OE1 3.06Å; R178-E204 IonicContact NE-OE1 3.54Å; R178-E204 IonicContact NH1-OE1 2.94Å; R178-E204 PolarHBondContact NH1-OE1 3.01Å; R178-E204 PolarHBondContact O-N 3.15Å; R178-I205 PolarHBondContact O-N 3.4Å
179	S	98.9	Very high	98	Very high	13 Å²	13	45 Å²	45	9%	0.091	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	136.8	-172.8	52.5	0	0	0	0	113.3	V154 S155 A156 I205	V154-S179 PolarHBondContact O-N 3.06Å; S155-S179 WeakPolarHBondContact CA-O 3.22Å; S155-S179 VanDerWaalsContact CB-OG 3.27Å; S155-S179 WeakPolarHBondContact CB-OG 3.37Å; S155-S179 PolarHBondContact OG-OG 3.29Å; A156-S179 PolarHBondContact N-O 3.13Å; A156-S179 VanDerWaalsContact N-O 3.09Å; S179-I205 WeakPolarHBondContact CA-O 3.39Å
180	V	98.8	Very high	98	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.3	175.8	173.1	0	0	0	0	110	A156 F171 L177 L182 F197 L203 I205 L206 T207	A156-V180 WeakPolarHBondContact O-CA 3.3Å; F171-V180 HydrophobicContact CD1-CG1 4.25Å; F171-V180 HydrophobicContact CD1-CG2 3.87Å; F171-V180 HydrophobicContact CD2-CG1 4.32Å; F171-V180 HydrophobicContact CE1-CG1 3.88Å; F171-V180 HydrophobicContact CE1-CG2 4.14Å; F171-V180 HydrophobicContact CE2-CG1 3.95Å; F171-V180 HydrophobicContact CG-CG1 4.46Å; F171-V180 HydrophobicContact CG-CG2 4.27Å; F171-V180 HydrophobicContact CZ-CG1 3.72Å; L177-V180 HydrophobicContact CD1-CG2 4.05Å; L177-V180 HydrophobicContact CD2-CG2 3.71Å; L177-V180 HydrophobicContact CG-CG2 4.06Å; V180-L182 HydrophobicContact CG1-CD1 3.81Å; V180-L182 HydrophobicContact CG1-CG 3.8Å; V180-F197 HydrophobicContact CG2-CE1 4.16Å; V180-L203 HydrophobicContact CB-CD1 4.34Å; V180-L203 HydrophobicContact CG2-CD1 3.86Å; V180-I205 PolarHBondContact N-O 3.07Å; V180-L206 HydrophobicContact CB-CD1 4.06Å; V180-L206 HydrophobicContact CG1-CD1 4.05Å; V180-T207 PolarHBondContact O-N 2.94Å
181	Y	98.9	Very high	98	Very high	68 Å²	68	47.6 Å²	47.6	27%	0.267	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.3	178.8	-51.9	-88.3	0	0	0	110.1	A156 D157 F158 A159 I205	A156-Y181 PolarHBondContact O-N 2.95Å; D157-Y181 HydrophobicContact CB-CD2 4.16Å; D157-Y181 WeakPolarHBondContact OD1-CB 3.45Å; F158-Y181 CarbonylContact C-O 3.34Å; F158-Y181 WeakPolarHBondContact CA-O 3.31Å; F158-Y181 WeakPolarHBondContact CB-O 3.49Å; F158-Y181 PolarHBondContact N-O 3.23Å; A159-Y181 PolarHBondContact N-O 2.98Å; Y181-I205 HydrophobicContact CE1-CG2 4.48Å
182	L	98.8	Very high	98	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.			trans	-128.2	12.9	-176.5	-70.5	168	0	0	0	111.6	F158 L163 I166 F171 V180 N185 L187 L206 T207 I208 N211	F158-L182 HydrophobicContact CB-CD2 3.92Å; L163-L182 HydrophobicContact CD1-CD2 4.05Å; I166-L182 HydrophobicContact CD1-CD2 3.81Å; F171-L182 HydrophobicContact CE2-CD1 3.97Å; F171-L182 HydrophobicContact CE2-CD2 4.08Å; F171-L182 HydrophobicContact CE2-CG 4.41Å; F171-L182 HydrophobicContact CZ-CD2 4.03Å; F171-L182 HydrophobicContact CZ-CG 4.5Å; V180-L182 HydrophobicContact CG1-CD1 3.81Å; V180-L182 HydrophobicContact CG1-CG 3.8Å; L182-N185 PolarHBondContact O-ND2 2.94Å; L182-L187 HydrophobicContact CB-CD1 4.08Å; L182-L187 HydrophobicContact CD1-CD1 4.41Å; L182-L187 HydrophobicContact CD2-CD1 4.35Å; L182-L206 HydrophobicContact CD1-CD1 4.44Å; L182-T207 CarbonylContact C-O 3.5Å; L182-T207 WeakPolarHBondContact CA-O 3.25Å; L182-T207 WeakPolarHBondContact CB-O 3.19Å; L182-T207 PolarHBondContact N-O 3.05Å; L182-I208 HydrophobicContact CB-CB 4.38Å; L182-I208 HydrophobicContact CB-CG1 4.1Å; L182-I208 HydrophobicContact CD1-CD1 4.15Å; L182-N211 PolarHBondContact O-ND2 2.95Å
183	H	98.8	Very high	97.9	Very high	56 Å²	56	50.1 Å²	50.1	26%	0.259	24%	0.244	S	C	.	.			trans	-72.2	157.5	-173.6	63.8	85.8	0	0	0	113.1	A159 A160 N185 T207 S209	A159-H183 CarbonylContact C-O 3.56Å; A159-H183 VanDerWaalsContact CA-O 3.27Å; A159-H183 WeakPolarHBondContact CA-O 2.97Å; A159-H183 WeakPolarHBondContact CB-CE1 3.46Å; A159-H183 WeakPolarHBondContact CB-NE2 3.34Å; A160-H183 PolarHBondContact N-O 2.57Å; H183-N185 PolarHBondContact O-ND2 3.31Å; H183-T207 HydrophobicContact CB-CG2 3.88Å; H183-T207 PolarHBondContact N-O 3.08Å; H183-S209 CarbonylContact C-O 3.48Å; H183-S209 WeakPolarHBondContact CA-O 3.34Å; H183-S209 VanDerWaalsContact CB-O 3.26Å; H183-S209 WeakPolarHBondContact CB-O 3.32Å
184	N	98.8	Very high	97.7	Very high	80 Å²	80	51.7 Å²	51.7	43%	0.428	26%	0.255	S	S	.	.	S	Bend	trans	57.3	54.1	-178.7	-55.8	-24.3	0	0	0	111.7	A160 N161 S209 S210	A160-N184 WeakPolarHBondContact CA-O 3.32Å; A160-N184 HydrophobicContact CB-CB 4.31Å; A160-N184 PolarHBondContact N-O 3.38Å; N161-N184 PolarHBondContact N-O 2.69Å; N184-S209 PolarHBondContact N-O 3.48Å; N184-S210 VanDerWaalsContact CA-O 3.3Å; N184-S210 WeakPolarHBondContact CA-O 3.26Å; N184-S210 PolarHBondContact N-O 3.08Å; N184-S210 WeakPolarHBondContact OD1-CB 3.49Å; N184-S210 PolarHBondContact OD1-OG 3.36Å; N184-S210 VanDerWaalsContact OD1-OG 3.08Å
185	N	98.8	Very high	97.5	Very high	8 Å²	8	55.2 Å²	55.2	4%	0.043	28%	0.275	C	S	.	.	S	Bend	trans	-125.6	-167.3	177.9	-88.8	-67	0	0	0	110.2	F158 N161 Q162 L163 L182 H183 L187 S210 N211	F158-N185 PolarHBondContact O-ND2 2.73Å; N161-N185 VanDerWaalsContact CA-OD1 3.22Å; N161-N185 WeakPolarHBondContact CA-OD1 3.17Å; N161-N185 WeakPolarHBondContact CB-OD1 3.39Å; N161-N185 PolarHBondContact N-OD1 3.42Å; N161-N185 PolarHBondContact O-OD1 3.24Å; Q162-N185 PolarHBondContact N-OD1 2.82Å; L163-N185 HydrophobicContact CB-CB 4.06Å; L163-N185 VanDerWaalsContact CB-OD1 3.28Å; L163-N185 WeakPolarHBondContact CB-OD1 3.42Å; L163-N185 VanDerWaalsContact CG-OD1 3.29Å; L163-N185 WeakPolarHBondContact CG-OD1 3.14Å; L163-N185 PolarHBondContact N-OD1 2.85Å; L182-N185 PolarHBondContact O-ND2 2.94Å; H183-N185 PolarHBondContact O-ND2 3.31Å; N185-L187 HydrophobicContact CB-CD1 4.41Å; N185-L187 HydrophobicContact CB-CG 4.25Å; N185-S210 PolarHBondContact N-O 3.02Å; N185-N211 VanDerWaalsContact CA-OD1 3.25Å; N185-N211 WeakPolarHBondContact CA-OD1 3.36Å; N185-N211 WeakPolarHBondContact CB-OD1 3.05Å; N185-N211 PolarHBondContact N-OD1 3.17Å; N185-N211 PolarHBondContact O-OD1 3.3Å
186	K	98.6	Very high	97.4	Very high	99 Å²	99	51.8 Å²	51.8	43%	0.43	25%	0.252	S	S	.	.			trans	-112.9	25.2	178.7	-58.8	-178.2	177.9	169.5	0	112.7	Q162 L163 T188 N211 F212	Q162-K186 HydrophobicContact CB-CD 4.11Å; L163-K186 CarbonylContact O-C 3.57Å; L163-K186 WeakPolarHBondContact O-CA 3.21Å; L163-K186 WeakPolarHBondContact O-CB 2.9Å; L163-K186 PolarHBondContact O-N 2.97Å; K186-T188 PolarHBondContact O-N 2.75Å; K186-N211 PolarHBondContact N-OD1 3.01Å; K186-F212 HydrophobicContact CB-CD2 4.29Å; K186-F212 HydrophobicContact CB-CE2 4.11Å; K186-F212 HydrophobicContact CG-CE2 4.12Å
187	L	98.5	Very high	97.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.23	C	C	.	.			trans	-68.7	133.6	-174	-63	166.5	0	0	0	110.7	L163 I166 L182 N185 L192 I208 N211 F212 L213	L163-L187 HydrophobicContact CB-CD2 4.12Å; L163-L187 HydrophobicContact CB-CG 4.41Å; L163-L187 PolarHBondContact O-N 3.39Å; I166-L187 HydrophobicContact CD1-CD2 4.26Å; I166-L187 HydrophobicContact CG1-CD2 3.93Å; L182-L187 HydrophobicContact CB-CD1 4.08Å; L182-L187 HydrophobicContact CD1-CD1 4.41Å; L182-L187 HydrophobicContact CD2-CD1 4.35Å; N185-L187 HydrophobicContact CB-CD1 4.41Å; N185-L187 HydrophobicContact CB-CG 4.25Å; L187-L192 HydrophobicContact CD1-CD2 4.32Å; L187-L192 HydrophobicContact CD2-CD2 4.29Å; L187-I208 HydrophobicContact CD1-CD1 3.89Å; L187-I208 HydrophobicContact CD1-CG1 4.02Å; L187-N211 HydrophobicContact CB-CB 4.17Å; L187-N211 WeakPolarHBondContact CB-OD1 3.37Å; L187-N211 PolarHBondContact N-OD1 2.91Å; L187-F212 CarbonylContact O-C 3.45Å; L187-F212 WeakPolarHBondContact O-CA 3.33Å; L187-F212 PolarHBondContact O-N 3.1Å; L187-L213 HydrophobicContact CB-CD2 4.38Å
188	T	98.1	Very high	97.2	Very high	57 Å²	57	51.1 Å²	51.1	35%	0.35	25%	0.253	S	S	.	.			trans	-117	173	171.2	60.8	0	0	0	0	109.2	K186 E190 G191 F212	K186-T188 PolarHBondContact O-N 2.75Å; T188-E190 VanDerWaalsContact C-N 3.27Å; T188-E190 PolarHBondContact O-N 3.45Å; T188-G191 WeakPolarHBondContact O-CA 3.28Å; T188-G191 PolarHBondContact O-N 3.43Å; T188-F212 HydrophobicContact CG2-CB 4.02Å
189	D	96.7	Very high	97.1	Very high	56 Å²	56	47.8 Å²	47.8	30%	0.299	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-56.2	-42.6	179.1	-45.6	-40.6	0	0	0	111.5	G191 L192 L213 R214 V215	D189-G191 PolarHBondContact O-N 2.89Å; D189-L192 PolarHBondContact O-N 3.24Å; D189-L192 VanDerWaalsContact O-N 3.17Å; D189-L213 WeakPolarHBondContact OD1-CA 3.21Å; D189-R214 PolarHBondContact OD1-N 3.2Å; D189-R214 WeakPolarHBondContact OD2-CB 3.17Å; D189-R214 PolarHBondContact OD2-N 3.01Å; D189-V215 PolarHBondContact OD1-N 3.16Å; D189-V215 VanDerWaalsContact OD1-N 3.14Å
190	E	96.2	Very high	97.1	Very high	179 Å²	179	47.1 Å²	47.1	84%	0.836	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-63.5	-20.5	176.1	-62.2	-66	145.4	0	0	114.1	T188 L192	T188-E190 VanDerWaalsContact C-N 3.27Å; T188-E190 PolarHBondContact O-N 3.45Å; E190-L192 VanDerWaalsContact C-N 3.33Å
191	G	96	Very high	96.9	Very high	4 Å²	4	52.8 Å²	52.8	4%	0.041	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-83	-8.8	179.2	0	0	0	0	0	113.8	S164 R165 I166 T188 D189	S164-G191 VanDerWaalsContact O-CA 3.24Å; S164-G191 WeakPolarHBondContact O-CA 3.26Å; R165-G191 WeakPolarHBondContact CA-O 3.27Å; I166-G191 PolarHBondContact N-O 3.02Å; T188-G191 WeakPolarHBondContact O-CA 3.28Å; T188-G191 PolarHBondContact O-N 3.43Å; D189-G191 PolarHBondContact O-N 2.89Å
192	L	96.7	Very high	96.9	Very high	20 Å²	20	51.3 Å²	51.3	11%	0.105	27%	0.273	C	S	.	.	S	Bend	trans	-116.4	113	-174.9	-62.7	-177.3	0	0	0	110.9	I166 L187 D189 E190 M196 I208 L213 P217	I166-L192 HydrophobicContact CB-CD2 4.34Å; I166-L192 HydrophobicContact CG1-CD2 3.91Å; L187-L192 HydrophobicContact CD1-CD2 4.32Å; L187-L192 HydrophobicContact CD2-CD2 4.29Å; D189-L192 PolarHBondContact O-N 3.24Å; D189-L192 VanDerWaalsContact O-N 3.17Å; E190-L192 VanDerWaalsContact C-N 3.33Å; L192-M196 HydrophobicContact CD2-SD 4.22Å; L192-I208 HydrophobicContact CD1-CD1 3.65Å; L192-I208 HydrophobicContact CD2-CD1 4.01Å; L192-I208 HydrophobicContact CG-CD1 4.46Å; L192-L213 HydrophobicContact CD1-CD1 4.04Å; L192-L213 HydrophobicContact CD1-CD2 3.55Å; L192-L213 HydrophobicContact CD1-CG 4.46Å; L192-L213 HydrophobicContact CG-CD2 4.29Å; L192-P217 HydrophobicContact CD1-CB 4.44Å; L192-P217 HydrophobicContact CD1-CG 3.76Å
193	P	95.6	Very high	96.8	Very high	32 Å²	32	51.3 Å²	51.3	21%	0.208	27%	0.273	C	S	.	.			trans	-77.5	141.5	174.9	27.7	-27.6	0	0	0	111.3	I166 P168 N195 M196	I166-P193 WeakPolarHBondContact O-CD 3.21Å; P168-P193 HydrophobicContact CG-CB 4.11Å; P168-P193 HydrophobicContact CG-CG 4.07Å; P193-N195 PolarHBondContact O-N 3.24Å; P193-M196 HydrophobicContact CG-CB 4Å; P193-M196 WeakPolarHBondContact O-CB 3.34Å; P193-M196 WeakPolarHBondContact O-CG 3.1Å; P193-M196 PolarHBondContact O-N 2.97Å
194	D	92.4	Very high	96.8	Very high	109 Å²	109	51.6 Å²	51.6	58%	0.583	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.6	-178.9	-75.2	-26.8	0	0	0	114.4	N219	D194-N219 WeakPolarHBondContact O-CB 3.23Å; D194-N219 PolarHBondContact O-ND2 3.12Å
195	N	93.8	Very high	96.9	Very high	80 Å²	80	49.1 Å²	49.1	43%	0.428	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	20.1	-178.9	65.3	-23.9	0	0	0	113	P168 P193 F197 N198	P168-N195 WeakPolarHBondContact CG-OD1 3.31Å; P193-N195 PolarHBondContact O-N 3.24Å; N195-F197 PolarHBondContact O-N 3.03Å; N195-F197 VanDerWaalsContact O-N 3.08Å; N195-N198 HydrophobicContact CB-CB 4.23Å; N195-N198 WeakPolarHBondContact O-CB 3.19Å; N195-N198 PolarHBondContact O-N 3.47Å; N195-N198 VanDerWaalsContact O-N 3.1Å
196	M	96	Very high	96.9	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.025	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.6	-177.5	62.3	171	169.1	0	0	115	F171 G172 L192 P193 P217 L220	F171-M196 CarbonylContact C-O 3.56Å; F171-M196 WeakPolarHBondContact CB-O 3.03Å; G172-M196 PolarHBondContact N-O 2.99Å; L192-M196 HydrophobicContact CD2-SD 4.22Å; P193-M196 HydrophobicContact CG-CB 4Å; P193-M196 WeakPolarHBondContact O-CB 3.34Å; P193-M196 WeakPolarHBondContact O-CG 3.1Å; P193-M196 PolarHBondContact O-N 2.97Å; M196-P217 HydrophobicContact CE-CB 3.95Å; M196-P217 HydrophobicContact CE-CG 4.5Å; M196-L220 HydrophobicContact CE-CD2 4.22Å
197	F	96.9	Very high	96.9	Very high	9 Å²	9	44.8 Å²	44.8	4%	0.039	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	17.6	178	-63.3	-62.4	0	0	0	113.5	F171 V180 N195 A199 S200 L203 L206 L220 P221	F171-F197 HydrophobicContact CB-CD1 3.63Å; F171-F197 HydrophobicContact CB-CE1 3.46Å; F171-F197 VanDerWaalsContact CB-CE1 3.46Å; F171-F197 HydrophobicContact CD2-CE1 4.03Å; F171-F197 HydrophobicContact CD2-CZ 4.39Å; F171-F197 AromaticContact CG-CE1 3.9Å; F171-F197 HydrophobicContact CG-CE1 3.9Å; V180-F197 HydrophobicContact CG2-CE1 4.16Å; N195-F197 PolarHBondContact O-N 3.03Å; N195-F197 VanDerWaalsContact O-N 3.08Å; F197-A199 PolarHBondContact O-N 3.04Å; F197-S200 WeakPolarHBondContact O-CB 3.37Å; F197-S200 PolarHBondContact O-N 2.83Å; F197-L203 HydrophobicContact CD1-CD2 3.8Å; F197-L203 HydrophobicContact CD2-CD2 4.3Å; F197-L203 HydrophobicContact CE1-CD2 3.64Å; F197-L203 HydrophobicContact CE2-CD2 4.15Å; F197-L203 HydrophobicContact CG-CD2 4.15Å; F197-L203 HydrophobicContact CZ-CD2 3.84Å; F197-L206 HydrophobicContact CE2-CD1 4.23Å; F197-L206 HydrophobicContact CE2-CD2 3.73Å; F197-L206 HydrophobicContact CZ-CD1 3.73Å; F197-L206 HydrophobicContact CZ-CD2 4.1Å; F197-L220 HydrophobicContact CE2-CD2 4.44Å; F197-P221 HydrophobicContact CB-CG 3.59Å; F197-P221 HydrophobicContact CD2-CG 4.26Å; F197-P221 HydrophobicContact CG-CG 3.98Å
198	N	96.1	Very high	96.9	Very high	91 Å²	91	44.9 Å²	44.9	49%	0.487	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	131.2	178.7	-174.2	35.2	0	0	0	110.6	G172 H173 N195 S200	G172-N198 CarbonylContact C-O 3.17Å; G172-N198 VanDerWaalsContact CA-O 3.28Å; G172-N198 WeakPolarHBondContact CA-O 3.45Å; H173-N198 PolarHBondContact N-O 2.83Å; N195-N198 HydrophobicContact CB-CB 4.23Å; N195-N198 WeakPolarHBondContact O-CB 3.19Å; N195-N198 PolarHBondContact O-N 3.47Å; N195-N198 VanDerWaalsContact O-N 3.1Å; N198-S200 PolarHBondContact O-N 3.19Å
199	A	96.5	Very high	96.9	Very high	37 Å²	37	42.2 Å²	42.2	31%	0.306	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	25.6	-175.1	0	0	0	0	0	115.6	F197	F197-A199 PolarHBondContact O-N 3.04Å
200	S	97.4	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.			trans	-118.1	54.2	172.7	-59	0	0	0	0	110.4	F171 H173 K174 F197 N198 T202 L203	F171-S200 WeakPolarHBondContact O-CB 3.39Å; F171-S200 PolarHBondContact O-OG 3.25Å; H173-S200 PolarHBondContact N-OG 3.19Å; K174-S200 PolarHBondContact N-OG 2.96Å; F197-S200 WeakPolarHBondContact O-CB 3.37Å; F197-S200 PolarHBondContact O-N 2.83Å; N198-S200 PolarHBondContact O-N 3.19Å; S200-T202 PolarHBondContact O-N 3.17Å; S200-T202 VanDerWaalsContact O-N 3.1Å; S200-L203 PolarHBondContact O-N 3.15Å
201	D	95.5	Very high	97.1	Very high	118 Å²	118	33.2 Å²	33.2	63%	0.631	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	3.2	-167.6	-55.9	-54.3	0	0	0	114.3	S223	D201-S223 VanDerWaalsContact C-OG 3.25Å; D201-S223 WeakPolarHBondContact O-CB 3.35Å; D201-S223 PolarHBondContact O-OG 3.07Å
202	T	98	Very high	97.2	Very high	37 Å²	37	36.8 Å²	36.8	23%	0.227	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	3	179.6	54	0	0	0	0	113.8	P175 L177 R178 S200 E204	P175-T202 WeakPolarHBondContact O-CG2 3.33Å; P175-T202 PolarHBondContact O-OG1 3.06Å; L177-T202 PolarHBondContact N-OG1 2.71Å; L177-T202 CarbonylContact O-C 3.47Å; L177-T202 PolarHBondContact O-OG1 3.24Å; L177-T202 VanDerWaalsContact O-OG1 3.08Å; R178-T202 VanDerWaalsContact CD-O 3.25Å; R178-T202 WeakPolarHBondContact CD-O 3.42Å; S200-T202 PolarHBondContact O-N 3.17Å; S200-T202 VanDerWaalsContact O-N 3.1Å; T202-E204 PolarHBondContact O-N 3.32Å
203	L	98.6	Very high	97.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.			trans	-65.2	118.3	-176.7	-173.4	71.9	0	0	0	112.4	L177 V180 F197 S200 L206 P221 S223 L224	L177-L203 HydrophobicContact CD2-CD1 4.2Å; L177-L203 HydrophobicContact CG-CD1 4.05Å; L177-L203 WeakPolarHBondContact O-CA 3.26Å; L177-L203 PolarHBondContact O-N 2.78Å; V180-L203 HydrophobicContact CB-CD1 4.34Å; V180-L203 HydrophobicContact CG2-CD1 3.86Å; F197-L203 HydrophobicContact CD1-CD2 3.8Å; F197-L203 HydrophobicContact CD2-CD2 4.3Å; F197-L203 HydrophobicContact CE1-CD2 3.64Å; F197-L203 HydrophobicContact CE2-CD2 4.15Å; F197-L203 HydrophobicContact CG-CD2 4.15Å; F197-L203 HydrophobicContact CZ-CD2 3.84Å; S200-L203 PolarHBondContact O-N 3.15Å; L203-L206 HydrophobicContact CD2-CB 4.33Å; L203-P221 HydrophobicContact CB-CB 4.21Å; L203-P221 HydrophobicContact CB-CG 4.07Å; L203-P221 HydrophobicContact CD2-CG 3.99Å; L203-S223 PolarHBondContact N-OG 3.49Å; L203-S223 CarbonylContact O-C 2.99Å; L203-S223 VanDerWaalsContact O-C 3.23Å; L203-S223 PolarHBondContact O-OG 2.99Å; L203-S223 VanDerWaalsContact O-OG 3.04Å; L203-L224 HydrophobicContact CD2-CD2 4.02Å; L203-L224 HydrophobicContact CG-CD2 3.96Å; L203-L224 WeakPolarHBondContact O-CA 3.1Å; L203-L224 PolarHBondContact O-N 3.42Å; L203-L224 VanDerWaalsContact O-N 3.13Å
204	E	98.8	Very high	97.4	Very high	62 Å²	62	40.3 Å²	40.3	29%	0.29	21%	0.21	S	C	.	.			trans	-102.3	-34	-177.6	-70.3	173.3	-161	0	0	112.8	R178 T202 L225 R226	R178-E204 IonicContact CZ-OE1 3.06Å; R178-E204 IonicContact NE-OE1 3.54Å; R178-E204 IonicContact NH1-OE1 2.94Å; R178-E204 PolarHBondContact NH1-OE1 3.01Å; R178-E204 PolarHBondContact O-N 3.15Å; T202-E204 PolarHBondContact O-N 3.32Å; E204-L225 HydrophobicContact CB-CD1 4.17Å; E204-L225 HydrophobicContact CB-CG 4.21Å; E204-L225 HydrophobicContact CG-CD1 4.01Å; E204-L225 HydrophobicContact CG-CG 4.22Å; E204-L225 PolarHBondContact O-N 3.12Å; E204-R226 PolarHBondContact O-N 3.14Å
205	I	98.9	Very high	97.7	Very high	29 Å²	29	37.5 Å²	37.5	15%	0.149	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.7	-174	-56.2	174.6	0	0	0	109.7	R178 S179 V180 Y181 R226	R178-I205 PolarHBondContact O-N 3.4Å; S179-I205 WeakPolarHBondContact CA-O 3.39Å; V180-I205 PolarHBondContact N-O 3.07Å; Y181-I205 HydrophobicContact CE1-CG2 4.48Å; I205-R226 HydrophobicContact CG1-CB 4.48Å
206	L	98.8	Very high	97.9	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.6	171.3	177.9	59.3	0	0	0	110.4	V180 L182 F197 L203 L220 L224 R226 L227 H228	V180-L206 HydrophobicContact CB-CD1 4.06Å; V180-L206 HydrophobicContact CG1-CD1 4.05Å; L182-L206 HydrophobicContact CD1-CD1 4.44Å; F197-L206 HydrophobicContact CE2-CD1 4.23Å; F197-L206 HydrophobicContact CE2-CD2 3.73Å; F197-L206 HydrophobicContact CZ-CD1 3.73Å; F197-L206 HydrophobicContact CZ-CD2 4.1Å; L203-L206 HydrophobicContact CD2-CB 4.33Å; L206-L220 HydrophobicContact CD2-CD2 3.69Å; L206-L224 HydrophobicContact CB-CD2 3.82Å; L206-R226 PolarHBondContact N-O 2.85Å; L206-R226 VanDerWaalsContact N-O 3.1Å; L206-L227 HydrophobicContact CB-CD1 4.04Å; L206-L227 HydrophobicContact CD2-CD1 3.91Å; L206-L227 HydrophobicContact CG-CD1 4.08Å; L206-H228 PolarHBondContact O-N 3.28Å
207	T	98.8	Very high	97.8	Very high	13 Å²	13	34.3 Å²	34.3	8%	0.08	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	104.5	175.9	-50.1	0	0	0	0	111.3	V180 L182 H183 H228	V180-T207 PolarHBondContact O-N 2.94Å; L182-T207 CarbonylContact C-O 3.5Å; L182-T207 WeakPolarHBondContact CA-O 3.25Å; L182-T207 WeakPolarHBondContact CB-O 3.19Å; L182-T207 PolarHBondContact N-O 3.05Å; H183-T207 HydrophobicContact CB-CG2 3.88Å; H183-T207 PolarHBondContact N-O 3.08Å; T207-H228 HydrophobicContact CG2-CB 3.76Å
208	I	98.4	Very high	97.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.194	C	C	.	.			trans	-121.6	29.6	176.7	-161.6	164.3	0	0	0	111.6	L182 L187 L192 N211 L213 H228 L229 N232	L182-I208 HydrophobicContact CB-CB 4.38Å; L182-I208 HydrophobicContact CB-CG1 4.1Å; L182-I208 HydrophobicContact CD1-CD1 4.15Å; L187-I208 HydrophobicContact CD1-CD1 3.89Å; L187-I208 HydrophobicContact CD1-CG1 4.02Å; L192-I208 HydrophobicContact CD1-CD1 3.65Å; L192-I208 HydrophobicContact CD2-CD1 4.01Å; L192-I208 HydrophobicContact CG-CD1 4.46Å; I208-N211 PolarHBondContact O-ND2 2.94Å; I208-N211 VanDerWaalsContact O-ND2 3.12Å; I208-L213 HydrophobicContact CD1-CD1 3.92Å; I208-L213 HydrophobicContact CG1-CD1 4.06Å; I208-L213 HydrophobicContact CG2-CD1 4.04Å; I208-H228 CarbonylContact C-O 3.24Å; I208-H228 PolarHBondContact N-O 2.8Å; I208-L229 HydrophobicContact CG2-CD2 3.33Å; I208-L229 HydrophobicContact CG2-CG 4.19Å; I208-N232 PolarHBondContact O-ND2 2.72Å
209	S	98.8	Very high	97.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.014	20%	0.201	C	C	.	.			trans	-67	157.8	-179.6	-57.4	0	0	0	0	112.7	H183 N184 N211 H228 K230	H183-S209 CarbonylContact C-O 3.48Å; H183-S209 WeakPolarHBondContact CA-O 3.34Å; H183-S209 VanDerWaalsContact CB-O 3.26Å; H183-S209 WeakPolarHBondContact CB-O 3.32Å; N184-S209 PolarHBondContact N-O 3.48Å; S209-N211 PolarHBondContact O-N 3.34Å; S209-N211 PolarHBondContact O-ND2 3.28Å; S209-H228 PolarHBondContact N-O 3.1Å; S209-H228 VanDerWaalsContact OG-C 3.3Å; S209-H228 WeakPolarHBondContact OG-CB 3.46Å; S209-H228 PolarHBondContact OG-O 3.47Å; S209-K230 CarbonylContact C-O 3.13Å; S209-K230 WeakPolarHBondContact CA-O 3.43Å; S209-K230 WeakPolarHBondContact CB-O 3.2Å; S209-K230 WeakPolarHBondContact OG-CG 3.32Å
210	S	98.8	Very high	97.3	Very high	41 Å²	41	36.2 Å²	36.2	29%	0.287	19%	0.189	S	C	.	.	S	Bend	trans	56	51.1	176.3	-51.1	0	0	0	0	112.6	N184 N185 K230 S231	N184-S210 VanDerWaalsContact CA-O 3.3Å; N184-S210 WeakPolarHBondContact CA-O 3.26Å; N184-S210 PolarHBondContact N-O 3.08Å; N184-S210 WeakPolarHBondContact OD1-CB 3.49Å; N184-S210 PolarHBondContact OD1-OG 3.36Å; N184-S210 VanDerWaalsContact OD1-OG 3.08Å; N185-S210 PolarHBondContact N-O 3.02Å; S210-K230 PolarHBondContact N-O 3.1Å; S210-S231 WeakPolarHBondContact CA-O 3.39Å; S210-S231 PolarHBondContact N-O 3.01Å
211	N	98.8	Very high	97.2	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	19%	0.192	C	C	.	.	S	Bend	trans	-123.9	-164.6	172.5	-82.6	-75.5	0	0	0	109	L182 N185 K186 L187 I208 S209 L213 N232	L182-N211 PolarHBondContact O-ND2 2.95Å; N185-N211 VanDerWaalsContact CA-OD1 3.25Å; N185-N211 WeakPolarHBondContact CA-OD1 3.36Å; N185-N211 WeakPolarHBondContact CB-OD1 3.05Å; N185-N211 PolarHBondContact N-OD1 3.17Å; N185-N211 PolarHBondContact O-OD1 3.3Å; K186-N211 PolarHBondContact N-OD1 3.01Å; L187-N211 HydrophobicContact CB-CB 4.17Å; L187-N211 WeakPolarHBondContact CB-OD1 3.37Å; L187-N211 PolarHBondContact N-OD1 2.91Å; I208-N211 PolarHBondContact O-ND2 2.94Å; I208-N211 VanDerWaalsContact O-ND2 3.12Å; S209-N211 PolarHBondContact O-N 3.34Å; S209-N211 PolarHBondContact O-ND2 3.28Å; N211-L213 HydrophobicContact CB-CG 4.38Å; N211-N232 VanDerWaalsContact CA-OD1 3.23Å; N211-N232 WeakPolarHBondContact CA-OD1 3.43Å; N211-N232 WeakPolarHBondContact CB-OD1 3.46Å; N211-N232 PolarHBondContact N-OD1 2.97Å; N211-N232 PolarHBondContact O-OD1 2.88Å
212	F	98.4	Very high	97.3	Very high	80 Å²	80	33.2 Å²	33.2	35%	0.351	18%	0.181	S	C	.	.			trans	-116.4	27.9	-178.2	-57.4	-71.4	0	0	0	113	K186 L187 T188 N232	K186-F212 HydrophobicContact CB-CD2 4.29Å; K186-F212 HydrophobicContact CB-CE2 4.11Å; K186-F212 HydrophobicContact CG-CE2 4.12Å; L187-F212 CarbonylContact O-C 3.45Å; L187-F212 WeakPolarHBondContact O-CA 3.33Å; L187-F212 PolarHBondContact O-N 3.1Å; T188-F212 HydrophobicContact CG2-CB 4.02Å; F212-N232 PolarHBondContact N-OD1 3.29Å
213	L	98.5	Very high	97.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.			trans	-65.7	135.4	178.3	-54.8	-178.7	0	0	0	110.8	L187 D189 L192 I208 N211 P217 L229 N232 R233 L234	L187-L213 HydrophobicContact CB-CD2 4.38Å; D189-L213 WeakPolarHBondContact OD1-CA 3.21Å; L192-L213 HydrophobicContact CD1-CD1 4.04Å; L192-L213 HydrophobicContact CD1-CD2 3.55Å; L192-L213 HydrophobicContact CD1-CG 4.46Å; L192-L213 HydrophobicContact CG-CD2 4.29Å; I208-L213 HydrophobicContact CD1-CD1 3.92Å; I208-L213 HydrophobicContact CG1-CD1 4.06Å; I208-L213 HydrophobicContact CG2-CD1 4.04Å; N211-L213 HydrophobicContact CB-CG 4.38Å; L213-P217 HydrophobicContact CD1-CG 4.24Å; L213-L229 HydrophobicContact CD1-CD2 4.22Å; L213-N232 HydrophobicContact CB-CB 4.32Å; L213-N232 WeakPolarHBondContact CG-OD1 3.14Å; L213-N232 PolarHBondContact N-OD1 3.08Å; L213-R233 CarbonylContact O-C 3.29Å; L213-R233 VanDerWaalsContact O-CA 3.23Å; L213-R233 WeakPolarHBondContact O-CA 3.37Å; L213-R233 PolarHBondContact O-N 3.17Å; L213-L234 HydrophobicContact CB-CD2 3.8Å; L213-L234 PolarHBondContact O-N 2.87Å; L213-L234 VanDerWaalsContact O-N 3.12Å
214	R	98.3	Very high	97.3	Very high	126 Å²	126	32.7 Å²	32.7	48%	0.475	18%	0.179	S	C	.	.	S	Bend	trans	-102.6	-18.7	173.4	-53.8	178.3	69.5	-172.4	-3.5	112.1	D189 R233 L234 E235 K236	D189-R214 PolarHBondContact OD1-N 3.2Å; D189-R214 WeakPolarHBondContact OD2-CB 3.17Å; D189-R214 PolarHBondContact OD2-N 3.01Å; R214-R233 WeakPolarHBondContact CA-O 3.48Å; R214-L234 CarbonylContact O-C 3.52Å; R214-L234 WeakPolarHBondContact O-CA 3.5Å; R214-E235 IonicContact CZ-OE1 3.83Å; R214-E235 VanDerWaalsContact CZ-OE1 3.25Å; R214-E235 IonicContact CZ-OE2 3.86Å; R214-E235 IonicContact NE-OE1 3.48Å; R214-E235 PolarHBondContact NE-OE1 3.34Å; R214-E235 VanDerWaalsContact NH2-CD 3.32Å; R214-E235 IonicContact NH2-OE1 2.92Å; R214-E235 PolarHBondContact NH2-OE1 3Å; R214-E235 IonicContact NH2-OE2 3.25Å; R214-E235 PolarHBondContact NH2-OE2 3.37Å; R214-E235 VanDerWaalsContact NH2-OE2 3.08Å; R214-E235 PolarHBondContact O-N 2.82Å; R214-K236 PolarHBondContact O-N 3.06Å
215	V	97.9	Very high	97.3	Very high	50 Å²	50	32.5 Å²	32.5	30%	0.303	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-132.3	144.6	-179.7	-173.7	0	0	0	0	109.8	D189 L234 K236 P238	D189-V215 PolarHBondContact OD1-N 3.16Å; D189-V215 VanDerWaalsContact OD1-N 3.14Å; V215-L234 WeakPolarHBondContact O-CD2 3.18Å; V215-K236 WeakPolarHBondContact CA-O 3.42Å; V215-P238 VanDerWaalsContact CG1-CD 3.43Å; V215-P238 HydrophobicContact CG1-CG 3.18Å
216	V	97.3	Very high	97.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-64	131.4	172.7	173.7	0	0	0	0	109.3	L229 L234 K236 I237 A241 F242 L253	V216-L229 HydrophobicContact CG1-CD1 4.06Å; V216-L229 HydrophobicContact CG2-CD1 4.16Å; V216-L234 HydrophobicContact CG2-CD1 3.94Å; V216-L234 HydrophobicContact CG2-CD2 4.32Å; V216-K236 PolarHBondContact N-O 3.31Å; V216-I237 HydrophobicContact CB-CG2 4.39Å; V216-I237 HydrophobicContact CG2-CB 4.33Å; V216-I237 HydrophobicContact CG2-CG1 3.81Å; V216-I237 HydrophobicContact CG2-CG2 4.25Å; V216-A241 HydrophobicContact CG1-CB 4.29Å; V216-F242 HydrophobicContact CG1-CE1 3.59Å; V216-F242 HydrophobicContact CG1-CZ 3.84Å; V216-F242 HydrophobicContact CG2-CZ 4.19Å; V216-L253 HydrophobicContact CG2-CD2 4.44Å
217	P	94.7	Very high	97.3	Very high	17 Å²	17	35.6 Å²	35.6	11%	0.11	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-59.6	140.8	178	-22.9	33.2	0	0	0	112.3	L192 M196 L213 L220	L192-P217 HydrophobicContact CD1-CB 4.44Å; L192-P217 HydrophobicContact CD1-CG 3.76Å; M196-P217 HydrophobicContact CE-CB 3.95Å; M196-P217 HydrophobicContact CE-CG 4.5Å; L213-P217 HydrophobicContact CD1-CG 4.24Å; P217-L220 HydrophobicContact CB-CD2 4.25Å
218	S	90.4	Very high	97.3	Very high	45 Å²	45	36.8 Å²	36.8	32%	0.315	19%	0.193	S	C	.	.	S	Bend	trans	-81.3	167.7	175.1	-56.5	0	0	0	0	111.5	L220	S218-L220 VanDerWaalsContact C-N 3.3Å; S218-L220 PolarHBondContact O-N 2.86Å
219	N	91.6	Very high	97.3	Very high	117 Å²	117	36.8 Å²	36.8	63%	0.626	19%	0.193	S	C	*	.	S	Bend	trans	55	39.3	173	-52.5	-35.4	0	0	0	114.7	D194	D194-N219 WeakPolarHBondContact O-CB 3.23Å; D194-N219 PolarHBondContact O-ND2 3.12Å
220	L	96.1	Very high	97.3	Very high	14 Å²	14	40.4 Å²	40.4	7%	0.073	21%	0.209	C	C	.	.			trans	-69.9	141.8	173.5	-66.4	177.1	0	0	0	110.8	M196 F197 L206 P217 S218 A222 L224 L227 L245	M196-L220 HydrophobicContact CE-CD2 4.22Å; F197-L220 HydrophobicContact CE2-CD2 4.44Å; L206-L220 HydrophobicContact CD2-CD2 3.69Å; P217-L220 HydrophobicContact CB-CD2 4.25Å; S218-L220 VanDerWaalsContact C-N 3.3Å; S218-L220 PolarHBondContact O-N 2.86Å; L220-A222 PolarHBondContact O-N 3.42Å; L220-L224 HydrophobicContact CB-CD1 3.82Å; L220-L224 HydrophobicContact CD1-CD1 4.47Å; L220-L227 HydrophobicContact CD1-CD1 4.28Å; L220-L227 HydrophobicContact CD1-CD2 3.61Å; L220-L245 HydrophobicContact CB-CD1 4.42Å; L220-L245 HydrophobicContact CB-CD2 4.1Å; L220-L245 HydrophobicContact CD1-CD1 4.36Å
221	P	96.4	Very high	97.3	Very high	8 Å²	8	40.4 Å²	40.4	5%	0.052	21%	0.209	C	C	.	.			trans	-60.7	135.7	-178.3	-26.7	36.6	0	0	0	113.7	F197 L203 S223 L224 L245	F197-P221 HydrophobicContact CB-CG 3.59Å; F197-P221 HydrophobicContact CD2-CG 4.26Å; F197-P221 HydrophobicContact CG-CG 3.98Å; L203-P221 HydrophobicContact CB-CB 4.21Å; L203-P221 HydrophobicContact CB-CG 4.07Å; L203-P221 HydrophobicContact CD2-CG 3.99Å; P221-S223 PolarHBondContact O-N 3.09Å; P221-S223 VanDerWaalsContact O-N 3.15Å; P221-L224 WeakPolarHBondContact O-CB 3.18Å; P221-L224 VanDerWaalsContact O-CG 3.31Å; P221-L224 WeakPolarHBondContact O-CG 3.37Å; P221-L224 PolarHBondContact O-N 3.21Å; P221-L224 VanDerWaalsContact O-N 3.15Å; P221-L245 WeakPolarHBondContact O-CD2 3.21Å
222	A	97.1	Very high	97.3	Very high	48 Å²	48	40.7 Å²	40.7	40%	0.397	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.9	-178.7	0	0	0	0	0	114.7	L220 L224 D244 N247	L220-A222 PolarHBondContact O-N 3.42Å; A222-L224 VanDerWaalsContact C-N 3.3Å; A222-D244 HydrophobicContact CB-CB 4.3Å; A222-D244 WeakPolarHBondContact CB-O 3.32Å; A222-N247 PolarHBondContact O-ND2 3.15Å; A222-N247 VanDerWaalsContact O-ND2 3.12Å
223	S	97.9	Very high	97.3	Very high	26 Å²	26	43.4 Å²	43.4	18%	0.182	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-9.9	175.2	43.5	0	0	0	0	113.9	D201 L203 P221 L225	D201-S223 VanDerWaalsContact C-OG 3.25Å; D201-S223 WeakPolarHBondContact O-CB 3.35Å; D201-S223 PolarHBondContact O-OG 3.07Å; L203-S223 PolarHBondContact N-OG 3.49Å; L203-S223 CarbonylContact O-C 2.99Å; L203-S223 VanDerWaalsContact O-C 3.23Å; L203-S223 PolarHBondContact O-OG 2.99Å; L203-S223 VanDerWaalsContact O-OG 3.04Å; P221-S223 PolarHBondContact O-N 3.09Å; P221-S223 VanDerWaalsContact O-N 3.15Å; S223-L225 PolarHBondContact O-N 2.88Å
224	L	98.6	Very high	97.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.			trans	-55.2	129	-178.9	-78.9	173	0	0	0	111.6	L203 L206 L220 P221 A222 L245 N247 L248	L203-L224 HydrophobicContact CD2-CD2 4.02Å; L203-L224 HydrophobicContact CG-CD2 3.96Å; L203-L224 WeakPolarHBondContact O-CA 3.1Å; L203-L224 PolarHBondContact O-N 3.42Å; L203-L224 VanDerWaalsContact O-N 3.13Å; L206-L224 HydrophobicContact CB-CD2 3.82Å; L220-L224 HydrophobicContact CB-CD1 3.82Å; L220-L224 HydrophobicContact CD1-CD1 4.47Å; P221-L224 WeakPolarHBondContact O-CB 3.18Å; P221-L224 VanDerWaalsContact O-CG 3.31Å; P221-L224 WeakPolarHBondContact O-CG 3.37Å; P221-L224 PolarHBondContact O-N 3.21Å; P221-L224 VanDerWaalsContact O-N 3.15Å; A222-L224 VanDerWaalsContact C-N 3.3Å; L224-L245 HydrophobicContact CB-CD2 4.47Å; L224-L245 HydrophobicContact CD1-CD2 4.26Å; L224-N247 CarbonylContact O-C 3Å; L224-L248 HydrophobicContact CB-CD1 4.03Å; L224-L248 WeakPolarHBondContact O-CA 3.38Å; L224-L248 PolarHBondContact O-N 3.04Å
225	L	98.8	Very high	97.3	Very high	57 Å²	57	40.8 Å²	40.8	30%	0.298	21%	0.211	S	C	.	.	S	Bend	trans	-104.2	-35.9	174.7	-59	-177.8	0	0	0	110.9	E204 S223 N247 R249 E250	E204-L225 HydrophobicContact CB-CD1 4.17Å; E204-L225 HydrophobicContact CB-CG 4.21Å; E204-L225 HydrophobicContact CG-CD1 4.01Å; E204-L225 HydrophobicContact CG-CG 4.22Å; E204-L225 PolarHBondContact O-N 3.12Å; S223-L225 PolarHBondContact O-N 2.88Å; L225-N247 HydrophobicContact CD2-CB 4.07Å; L225-N247 WeakPolarHBondContact CD2-O 3.31Å; L225-R249 PolarHBondContact O-N 3.12Å; L225-E250 PolarHBondContact O-N 2.73Å; L225-E250 VanDerWaalsContact O-N 3.09Å
226	R	98.9	Very high	97.3	Very high	97 Å²	97	44.2 Å²	44.2	37%	0.366	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.4	178.5	-54.9	-168.9	-170.7	112.9	3.4	111.5	E204 I205 L206 E250	E204-R226 PolarHBondContact O-N 3.14Å; I205-R226 HydrophobicContact CG1-CB 4.48Å; L206-R226 PolarHBondContact N-O 2.85Å; L206-R226 VanDerWaalsContact N-O 3.1Å; R226-E250 WeakPolarHBondContact CA-O 3.23Å; R226-E250 HydrophobicContact CB-CB 4.46Å; R226-E250 WeakPolarHBondContact CD-OE2 3.38Å; R226-E250 HydrophobicContact CG-CB 4.13Å; R226-E250 HydrophobicContact CG-CG 4.31Å; R226-E250 IonicContact CZ-OE1 3.85Å; R226-E250 IonicContact NE-OE1 2.74Å; R226-E250 PolarHBondContact NE-OE1 3.14Å; R226-E250 IonicContact NE-OE2 2.76Å
227	L	98.9	Very high	97.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	114.8	178.1	179.2	58.5	0	0	0	110.5	L206 L220 L229 F242 L245 L248 E250 L251 Y252	L206-L227 HydrophobicContact CB-CD1 4.04Å; L206-L227 HydrophobicContact CD2-CD1 3.91Å; L206-L227 HydrophobicContact CG-CD1 4.08Å; L220-L227 HydrophobicContact CD1-CD1 4.28Å; L220-L227 HydrophobicContact CD1-CD2 3.61Å; L227-L229 HydrophobicContact CD1-CD1 4.18Å; L227-L229 HydrophobicContact CD1-CG 4.16Å; L227-L229 HydrophobicContact CD2-CD1 3.71Å; L227-L229 HydrophobicContact CG-CD1 3.78Å; L227-L229 HydrophobicContact CG-CG 4.1Å; L227-F242 HydrophobicContact CD2-CE1 3.92Å; L227-L245 HydrophobicContact CD2-CD1 4.3Å; L227-L248 HydrophobicContact CB-CD1 3.85Å; L227-L248 HydrophobicContact CB-CD2 4.47Å; L227-E250 PolarHBondContact N-O 3.48Å; L227-L251 HydrophobicContact CB-CD1 4.03Å; L227-L251 HydrophobicContact CD2-CD1 3.9Å; L227-L251 HydrophobicContact CG-CD1 4.03Å; L227-Y252 PolarHBondContact O-N 3.2Å
228	H	98.9	Very high	97.3	Very high	38 Å²	38	45.4 Å²	45.4	18%	0.176	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	100.8	-176.1	-64.3	-141	0	0	0	111.2	L206 T207 I208 S209 Y252	L206-H228 PolarHBondContact O-N 3.28Å; T207-H228 HydrophobicContact CG2-CB 3.76Å; I208-H228 CarbonylContact C-O 3.24Å; I208-H228 PolarHBondContact N-O 2.8Å; S209-H228 PolarHBondContact N-O 3.1Å; S209-H228 VanDerWaalsContact OG-C 3.3Å; S209-H228 WeakPolarHBondContact OG-CB 3.46Å; S209-H228 PolarHBondContact OG-O 3.47Å; H228-Y252 AromaticContact CD2-CD2 3.52Å; H228-Y252 AromaticContact CD2-CE2 3.78Å; H228-Y252 AromaticContact CE1-CD2 3.82Å; H228-Y252 AromaticContact CE1-CE2 3.6Å; H228-Y252 AromaticContact CG-CD2 3.71Å; H228-Y252 AromaticContact ND1-CD2 3.92Å; H228-Y252 AromaticContact NE2-CD2 3.59Å; H228-Y252 AromaticContact NE2-CE2 3.33Å; H228-Y252 VanDerWaalsContact NE2-CE2 3.33Å; H228-Y252 WeakPolarHBondContact NE2-CE2 3.28Å
229	L	98.8	Very high	97.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.248	C	C	.	.			trans	-113.8	10.9	-178.6	-77	162.4	0	0	0	112.8	I208 L213 V216 L227 N232 L234 Y252 L253 N256	I208-L229 HydrophobicContact CG2-CD2 3.33Å; I208-L229 HydrophobicContact CG2-CG 4.19Å; L213-L229 HydrophobicContact CD1-CD2 4.22Å; V216-L229 HydrophobicContact CG1-CD1 4.06Å; V216-L229 HydrophobicContact CG2-CD1 4.16Å; L227-L229 HydrophobicContact CD1-CD1 4.18Å; L227-L229 HydrophobicContact CD1-CG 4.16Å; L227-L229 HydrophobicContact CD2-CD1 3.71Å; L227-L229 HydrophobicContact CG-CD1 3.78Å; L227-L229 HydrophobicContact CG-CG 4.1Å; L229-N232 PolarHBondContact O-ND2 3.32Å; L229-L234 HydrophobicContact CB-CD1 4.02Å; L229-L234 HydrophobicContact CD2-CD1 4.42Å; L229-Y252 CarbonylContact C-O 3.53Å; L229-Y252 WeakPolarHBondContact CA-O 3.31Å; L229-Y252 WeakPolarHBondContact CB-O 3.21Å; L229-Y252 PolarHBondContact N-O 2.76Å; L229-L253 HydrophobicContact CB-CD2 3.82Å; L229-L253 HydrophobicContact CD1-CD2 3.89Å; L229-N256 PolarHBondContact O-ND2 2.91Å; L229-N256 VanDerWaalsContact O-ND2 3.09Å
230	K	98.6	Very high	97.4	Very high	78 Å²	78	45 Å²	45	34%	0.339	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	153.7	-175.9	74.3	177.7	179.5	-175	0	112.7	S209 S210 N232 Y252 Q254	S209-K230 CarbonylContact C-O 3.13Å; S209-K230 WeakPolarHBondContact CA-O 3.43Å; S209-K230 WeakPolarHBondContact CB-O 3.2Å; S209-K230 WeakPolarHBondContact OG-CG 3.32Å; S210-K230 PolarHBondContact N-O 3.1Å; K230-N232 VanDerWaalsContact C-N 3.29Å; K230-N232 PolarHBondContact O-N 3.32Å; K230-Y252 PolarHBondContact N-O 3.32Å; K230-Q254 CarbonylContact C-O 3.31Å; K230-Q254 WeakPolarHBondContact CA-O 3.5Å; K230-Q254 VanDerWaalsContact CB-CD 3.45Å; K230-Q254 HydrophobicContact CB-CG 3.92Å; K230-Q254 WeakPolarHBondContact CB-O 3.47Å; K230-Q254 VanDerWaalsContact CB-OE1 3.25Å
231	S	98.7	Very high	97.3	Very high	41 Å²	41	44.9 Å²	44.9	29%	0.287	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	39.4	173	-47.5	0	0	0	0	113.2	S210 Q254 N255	S210-S231 WeakPolarHBondContact CA-O 3.39Å; S210-S231 PolarHBondContact N-O 3.01Å; S231-Q254 PolarHBondContact N-O 3.08Å; S231-N255 WeakPolarHBondContact CA-O 3.48Å; S231-N255 PolarHBondContact N-O 2.98Å; S231-N255 PolarHBondContact OG-ND2 3.27Å
232	N	98.8	Very high	97.3	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.053	24%	0.237	C	C	.	.	S	Bend	trans	-101.4	-160.2	169.4	-86.6	-75.8	0	0	0	109.3	I208 N211 F212 L213 L229 K230 L234 N256	I208-N232 PolarHBondContact O-ND2 2.72Å; N211-N232 VanDerWaalsContact CA-OD1 3.23Å; N211-N232 WeakPolarHBondContact CA-OD1 3.43Å; N211-N232 WeakPolarHBondContact CB-OD1 3.46Å; N211-N232 PolarHBondContact N-OD1 2.97Å; N211-N232 PolarHBondContact O-OD1 2.88Å; F212-N232 PolarHBondContact N-OD1 3.29Å; L213-N232 HydrophobicContact CB-CB 4.32Å; L213-N232 WeakPolarHBondContact CG-OD1 3.14Å; L213-N232 PolarHBondContact N-OD1 3.08Å; L229-N232 PolarHBondContact O-ND2 3.32Å; K230-N232 VanDerWaalsContact C-N 3.29Å; K230-N232 PolarHBondContact O-N 3.32Å; N232-L234 HydrophobicContact CB-CD1 4.5Å; N232-L234 HydrophobicContact CB-CG 3.91Å; N232-N256 WeakPolarHBondContact CA-OD1 3.31Å; N232-N256 WeakPolarHBondContact CB-OD1 3.33Å; N232-N256 PolarHBondContact N-OD1 2.86Å; N232-N256 VanDerWaalsContact N-OD1 3.16Å; N232-N256 PolarHBondContact O-OD1 3.45Å
233	R	98.4	Very high	97.1	Very high	136 Å²	136	47.7 Å²	47.7	51%	0.513	24%	0.243	S	C	.	.			trans	-116.5	32.3	172.4	-61.1	-175.1	178.4	175.5	2.9	111	L213 R214 E235 N256 L257	L213-R233 CarbonylContact O-C 3.29Å; L213-R233 VanDerWaalsContact O-CA 3.23Å; L213-R233 WeakPolarHBondContact O-CA 3.37Å; L213-R233 PolarHBondContact O-N 3.17Å; R214-R233 WeakPolarHBondContact CA-O 3.48Å; R233-E235 PolarHBondContact O-N 2.75Å; R233-E235 VanDerWaalsContact O-N 3.12Å; R233-N256 PolarHBondContact N-OD1 2.99Å; R233-L257 HydrophobicContact CB-CD1 4.23Å
234	L	98.7	Very high	97	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.261	C	S	.	.			trans	-62	116.8	-171.7	-61.7	175.3	0	0	0	110.6	L213 R214 V215 V216 L229 N232 L253 N256 L257 L258	L213-L234 HydrophobicContact CB-CD2 3.8Å; L213-L234 PolarHBondContact O-N 2.87Å; L213-L234 VanDerWaalsContact O-N 3.12Å; R214-L234 CarbonylContact O-C 3.52Å; R214-L234 WeakPolarHBondContact O-CA 3.5Å; V215-L234 WeakPolarHBondContact O-CD2 3.18Å; V216-L234 HydrophobicContact CG2-CD1 3.94Å; V216-L234 HydrophobicContact CG2-CD2 4.32Å; L229-L234 HydrophobicContact CB-CD1 4.02Å; L229-L234 HydrophobicContact CD2-CD1 4.42Å; N232-L234 HydrophobicContact CB-CD1 4.5Å; N232-L234 HydrophobicContact CB-CG 3.91Å; L234-L253 HydrophobicContact CD1-CD2 3.8Å; L234-N256 HydrophobicContact CB-CB 4Å; L234-N256 WeakPolarHBondContact CB-OD1 3.06Å; L234-N256 VanDerWaalsContact CG-OD1 3.31Å; L234-N256 WeakPolarHBondContact CG-OD1 3.5Å; L234-N256 PolarHBondContact N-OD1 2.88Å; L234-L257 CarbonylContact O-C 3.06Å; L234-L257 VanDerWaalsContact O-CA 3.24Å; L234-L257 WeakPolarHBondContact O-CA 3.1Å; L234-L257 WeakPolarHBondContact O-CB 3.18Å; L234-L257 PolarHBondContact O-N 3.03Å; L234-L258 HydrophobicContact CB-CD2 4.05Å; L234-L258 HydrophobicContact CB-CG 4.33Å; L234-L258 PolarHBondContact O-N 2.71Å
235	E	98.1	Very high	96.9	Very high	71 Å²	71	51.7 Å²	51.7	33%	0.332	26%	0.262	S	S	.	.			trans	-97.7	-29.5	174.9	-70.3	169.3	-143.5	0	0	111	R214 R233 L257	R214-E235 IonicContact CZ-OE1 3.83Å; R214-E235 VanDerWaalsContact CZ-OE1 3.25Å; R214-E235 IonicContact CZ-OE2 3.86Å; R214-E235 IonicContact NE-OE1 3.48Å; R214-E235 PolarHBondContact NE-OE1 3.34Å; R214-E235 VanDerWaalsContact NH2-CD 3.32Å; R214-E235 IonicContact NH2-OE1 2.92Å; R214-E235 PolarHBondContact NH2-OE1 3Å; R214-E235 IonicContact NH2-OE2 3.25Å; R214-E235 PolarHBondContact NH2-OE2 3.37Å; R214-E235 VanDerWaalsContact NH2-OE2 3.08Å; R214-E235 PolarHBondContact O-N 2.82Å; R233-E235 PolarHBondContact O-N 2.75Å; R233-E235 VanDerWaalsContact O-N 3.12Å; E235-L257 HydrophobicContact CG-CB 4.12Å; E235-L257 HydrophobicContact CG-CD1 4.4Å
236	K	97.4	Very high	96.8	Very high	123 Å²	123	55.4 Å²	55.4	54%	0.535	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-139.6	149.4	-175	-59.1	-173.1	179.6	-179.7	0	113.6	R214 V215 V216 G262	R214-K236 PolarHBondContact O-N 3.06Å; V215-K236 WeakPolarHBondContact CA-O 3.42Å; V216-K236 PolarHBondContact N-O 3.31Å; K236-G262 CarbonylContact C-O 3.18Å; K236-G262 WeakPolarHBondContact CA-O 3.48Å
237	I	97.6	Very high	96.8	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.015	28%	0.276	C	S	.	.			trans	-112.1	111.1	165.2	-55.5	168.4	0	0	0	105.8	V216 A241 F242 L253 L258 G262 M263 T267 F268	V216-I237 HydrophobicContact CB-CG2 4.39Å; V216-I237 HydrophobicContact CG2-CB 4.33Å; V216-I237 HydrophobicContact CG2-CG1 3.81Å; V216-I237 HydrophobicContact CG2-CG2 4.25Å; I237-A241 HydrophobicContact CG2-CB 4.12Å; I237-F242 HydrophobicContact CD1-CE2 4.06Å; I237-F242 HydrophobicContact CG2-CD2 3.98Å; I237-F242 HydrophobicContact CG2-CE2 3.62Å; I237-F242 HydrophobicContact CG2-CZ 4.08Å; I237-L253 HydrophobicContact CD1-CD1 4.19Å; I237-L258 HydrophobicContact CD1-CD1 4.13Å; I237-L258 HydrophobicContact CD1-CD2 4.29Å; I237-L258 HydrophobicContact CG1-CD2 3.91Å; I237-G262 PolarHBondContact N-O 3.25Å; I237-M263 HydrophobicContact CB-CB 4.45Å; I237-M263 HydrophobicContact CD1-CB 4.3Å; I237-M263 HydrophobicContact CD1-CE 4.34Å; I237-T267 HydrophobicContact CB-CG2 4.16Å; I237-T267 HydrophobicContact CD1-CG2 4.02Å; I237-T267 HydrophobicContact CG2-CG2 3.65Å; I237-F268 HydrophobicContact CD1-CE1 4.33Å; I237-F268 HydrophobicContact CD1-CZ 4.01Å
238	P	95	Very high	96.8	Very high	40 Å²	40	54.7 Å²	54.7	26%	0.26	28%	0.276	S	S	.	.			trans	-58.5	148.9	179.8	-24.2	35.1	0	0	0	112.1	V215 G240 A241	V215-P238 VanDerWaalsContact CG1-CD 3.43Å; V215-P238 HydrophobicContact CG1-CG 3.18Å; P238-G240 PolarHBondContact O-N 3.39Å; P238-A241 HydrophobicContact CB-CB 4.28Å; P238-A241 VanDerWaalsContact O-CB 3.23Å; P238-A241 WeakPolarHBondContact O-CB 3.43Å; P238-A241 PolarHBondContact O-N 3.44Å; P238-A241 VanDerWaalsContact O-N 3.08Å
239	T	92.8	Very high	96.8	Very high	114 Å²	114	57.9 Å²	57.9	70%	0.699	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	129.2	171.6	-56.1	0	0	0	0	110	A241 D264	T239-A241 VanDerWaalsContact C-N 3.29Å; T239-A241 PolarHBondContact O-N 2.93Å; T239-D264 VanDerWaalsContact CA-OD2 3.25Å; T239-D264 WeakPolarHBondContact CA-OD2 3.33Å; T239-D264 WeakPolarHBondContact CB-OD2 3.29Å; T239-D264 VanDerWaalsContact CG2-OD2 3.27Å; T239-D264 WeakPolarHBondContact CG2-OD2 3.49Å; T239-D264 PolarHBondContact OG1-OD1 3.14Å; T239-D264 PolarHBondContact OG1-OD2 3.37Å
240	G	91.4	Very high	96.8	Very high	38 Å²	38	59.9 Å²	59.9	39%	0.392	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-5.2	179.7	0	0	0	0	0	115.6	P238 F242 E243	P238-G240 PolarHBondContact O-N 3.39Å; G240-F242 PolarHBondContact O-N 2.67Å; G240-E243 WeakPolarHBondContact O-CB 3.48Å; G240-E243 PolarHBondContact O-N 2.64Å
241	A	94.7	Very high	96.8	Very high	12 Å²	12	56.1 Å²	56.1	10%	0.099	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.5	-177.2	0	0	0	0	0	114.3	V216 I237 P238 T239	V216-A241 HydrophobicContact CG1-CB 4.29Å; I237-A241 HydrophobicContact CG2-CB 4.12Å; P238-A241 HydrophobicContact CB-CB 4.28Å; P238-A241 VanDerWaalsContact O-CB 3.23Å; P238-A241 WeakPolarHBondContact O-CB 3.43Å; P238-A241 PolarHBondContact O-N 3.44Å; P238-A241 VanDerWaalsContact O-N 3.08Å; T239-A241 VanDerWaalsContact C-N 3.29Å; T239-A241 PolarHBondContact O-N 2.93Å
242	F	96.4	Very high	96.8	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.018	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	7.1	179.4	-62.7	-31.2	0	0	0	114	V216 L227 I237 G240 D244 L245 L251 L253 T267 F268 L271	V216-F242 HydrophobicContact CG1-CE1 3.59Å; V216-F242 HydrophobicContact CG1-CZ 3.84Å; V216-F242 HydrophobicContact CG2-CZ 4.19Å; L227-F242 HydrophobicContact CD2-CE1 3.92Å; I237-F242 HydrophobicContact CD1-CE2 4.06Å; I237-F242 HydrophobicContact CG2-CD2 3.98Å; I237-F242 HydrophobicContact CG2-CE2 3.62Å; I237-F242 HydrophobicContact CG2-CZ 4.08Å; G240-F242 PolarHBondContact O-N 2.67Å; F242-D244 VanDerWaalsContact C-N 3.32Å; F242-D244 PolarHBondContact O-N 3.02Å; F242-L245 HydrophobicContact CD1-CD1 3.65Å; F242-L245 HydrophobicContact CE1-CD1 4.37Å; F242-L245 HydrophobicContact CG-CD1 4.47Å; F242-L245 PolarHBondContact O-N 2.81Å; F242-L251 HydrophobicContact CD2-CD2 4.38Å; F242-L251 HydrophobicContact CE2-CD2 3.88Å; F242-L251 HydrophobicContact CZ-CD1 4.28Å; F242-L251 HydrophobicContact CZ-CD2 4.04Å; F242-L253 HydrophobicContact CE2-CD1 4.42Å; F242-L253 HydrophobicContact CZ-CD1 4.5Å; F242-T267 HydrophobicContact CD2-CG2 3.86Å; F242-T267 HydrophobicContact CE2-CG2 4.22Å; F242-F268 HydrophobicContact CD2-CD1 4.25Å; F242-F268 HydrophobicContact CD2-CE1 4.22Å; F242-F268 HydrophobicContact CE2-CD1 4.41Å; F242-F268 AromaticContact CE2-CE1 3.94Å; F242-F268 HydrophobicContact CE2-CE1 3.94Å; F242-L271 HydrophobicContact CB-CD2 4.07Å; F242-L271 HydrophobicContact CB-CG 4.46Å
243	E	92.5	Very high	96.8	Very high	112 Å²	112	55.4 Å²	55.4	52%	0.523	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-38.7	-170.2	-175.5	167.2	-169.9	0	0	113.2	G240 Q270	G240-E243 WeakPolarHBondContact O-CB 3.48Å; G240-E243 PolarHBondContact O-N 2.64Å; E243-Q270 HydrophobicContact CG-CG 4.41Å; E243-Q270 WeakPolarHBondContact O-CB 3.21Å
244	D	94.2	Very high	96.8	Very high	107 Å²	107	49.9 Å²	49.9	57%	0.572	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-7.2	-177.2	-66.5	-42.8	0	0	0	114.2	A222 F242 R246	A222-D244 HydrophobicContact CB-CB 4.3Å; A222-D244 WeakPolarHBondContact CB-O 3.32Å; F242-D244 VanDerWaalsContact C-N 3.32Å; F242-D244 PolarHBondContact O-N 3.02Å; D244-R246 PolarHBondContact O-N 2.99Å
245	L	97.4	Very high	96.8	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	27%	0.267	C	S	.	.			trans	-80	48	-174	-55.9	-171.1	0	0	0	113	L220 P221 L224 L227 F242 N247 L248 L271	L220-L245 HydrophobicContact CB-CD1 4.42Å; L220-L245 HydrophobicContact CB-CD2 4.1Å; L220-L245 HydrophobicContact CD1-CD1 4.36Å; P221-L245 WeakPolarHBondContact O-CD2 3.21Å; L224-L245 HydrophobicContact CB-CD2 4.47Å; L224-L245 HydrophobicContact CD1-CD2 4.26Å; L227-L245 HydrophobicContact CD2-CD1 4.3Å; F242-L245 HydrophobicContact CD1-CD1 3.65Å; F242-L245 HydrophobicContact CE1-CD1 4.37Å; F242-L245 HydrophobicContact CG-CD1 4.47Å; F242-L245 PolarHBondContact O-N 2.81Å; L245-N247 PolarHBondContact O-N 3.13Å; L245-L248 HydrophobicContact CB-CB 4.12Å; L245-L248 HydrophobicContact CB-CD2 4.49Å; L245-L248 HydrophobicContact CD1-CD2 4.25Å; L245-L248 VanDerWaalsContact O-CB 3.26Å; L245-L248 WeakPolarHBondContact O-CB 3.44Å; L245-L248 PolarHBondContact O-N 2.61Å; L245-L248 VanDerWaalsContact O-N 3.12Å; L245-L271 HydrophobicContact CB-CD2 3.71Å; L245-L271 VanDerWaalsContact O-CD2 3.25Å; L245-L271 WeakPolarHBondContact O-CD2 3.12Å
246	R	97.3	Very high	96.9	Very high	135 Å²	135	50.1 Å²	50.1	51%	0.509	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.8	-172.6	-61.2	-176.1	-177.2	-176.2	2.8	113.9	D244 S272 S273	D244-R246 PolarHBondContact O-N 2.99Å; R246-S272 PolarHBondContact O-OG 3.27Å; R246-S273 VanDerWaalsContact O-CB 3.23Å; R246-S273 WeakPolarHBondContact O-CB 3.42Å; R246-S273 PolarHBondContact O-N 2.78Å; R246-S273 PolarHBondContact O-OG 2.89Å
247	N	98	Very high	96.9	Very high	84 Å²	84	48.6 Å²	48.6	45%	0.449	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.4	178.6	-61.4	-43.9	0	0	0	113.3	A222 L224 L225 L245 R249	A222-N247 PolarHBondContact O-ND2 3.15Å; A222-N247 VanDerWaalsContact O-ND2 3.12Å; L224-N247 CarbonylContact O-C 3Å; L225-N247 HydrophobicContact CD2-CB 4.07Å; L225-N247 WeakPolarHBondContact CD2-O 3.31Å; L245-N247 PolarHBondContact O-N 3.13Å; N247-R249 WeakPolarHBondContact O-CG 3.36Å; N247-R249 PolarHBondContact O-N 3.15Å
248	L	98.8	Very high	97	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.			trans	-62.1	126.8	-177.2	-166.4	72.6	0	0	0	110.2	L224 L227 L245 L251 L271 S273 L274	L224-L248 HydrophobicContact CB-CD1 4.03Å; L224-L248 WeakPolarHBondContact O-CA 3.38Å; L224-L248 PolarHBondContact O-N 3.04Å; L227-L248 HydrophobicContact CB-CD1 3.85Å; L227-L248 HydrophobicContact CB-CD2 4.47Å; L245-L248 HydrophobicContact CB-CB 4.12Å; L245-L248 HydrophobicContact CB-CD2 4.49Å; L245-L248 HydrophobicContact CD1-CD2 4.25Å; L245-L248 VanDerWaalsContact O-CB 3.26Å; L245-L248 WeakPolarHBondContact O-CB 3.44Å; L245-L248 PolarHBondContact O-N 2.61Å; L245-L248 VanDerWaalsContact O-N 3.12Å; L248-L251 HydrophobicContact CD2-CB 3.98Å; L248-L251 HydrophobicContact CD2-CD1 4.29Å; L248-L251 HydrophobicContact CD2-CD2 4.25Å; L248-L251 HydrophobicContact CD2-CG 4.41Å; L248-L271 HydrophobicContact CB-CD2 4.3Å; L248-L271 HydrophobicContact CD2-CD1 4.49Å; L248-L271 HydrophobicContact CD2-CD2 4.16Å; L248-S273 CarbonylContact O-C 3.44Å; L248-L274 HydrophobicContact CB-CD1 4.38Å; L248-L274 HydrophobicContact CD2-CD1 4.05Å; L248-L274 HydrophobicContact CG-CD1 4Å; L248-L274 WeakPolarHBondContact O-CA 3.49Å; L248-L274 PolarHBondContact O-N 2.94Å
249	R	98.8	Very high	97.1	Very high	105 Å²	105	48.6 Å²	48.6	40%	0.396	25%	0.25	S	C	.	.			trans	-105.1	-36.1	-178.7	-63.7	-176	66.8	-153.4	-7.8	111.9	L225 N247 E275 Y276	L225-R249 PolarHBondContact O-N 3.12Å; N247-R249 WeakPolarHBondContact O-CG 3.36Å; N247-R249 PolarHBondContact O-N 3.15Å; R249-E275 IonicContact CZ-OE1 3.96Å; R249-E275 IonicContact CZ-OE2 2.91Å; R249-E275 IonicContact NE-OE1 3.26Å; R249-E275 PolarHBondContact NE-OE1 3.2Å; R249-E275 IonicContact NE-OE2 2.87Å; R249-E275 IonicContact NH2-OE1 3.32Å; R249-E275 PolarHBondContact NH2-OE1 3.02Å; R249-E275 IonicContact NH2-OE2 3.08Å; R249-E275 PolarHBondContact NH2-OE2 3.5Å; R249-E275 PolarHBondContact O-N 3.05Å; R249-Y276 PolarHBondContact O-N 3.49Å
250	E	98.9	Very high	97.3	Very high	42 Å²	42	44.8 Å²	44.8	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.2	-177.2	-55.9	172.8	-142.3	0	0	111.4	L225 R226 L227 Y252	L225-E250 PolarHBondContact O-N 2.73Å; L225-E250 VanDerWaalsContact O-N 3.09Å; R226-E250 WeakPolarHBondContact CA-O 3.23Å; R226-E250 HydrophobicContact CB-CB 4.46Å; R226-E250 WeakPolarHBondContact CD-OE2 3.38Å; R226-E250 HydrophobicContact CG-CB 4.13Å; R226-E250 HydrophobicContact CG-CG 4.31Å; R226-E250 IonicContact CZ-OE1 3.85Å; R226-E250 IonicContact NE-OE1 2.74Å; R226-E250 PolarHBondContact NE-OE1 3.14Å; R226-E250 IonicContact NE-OE2 2.76Å; L227-E250 PolarHBondContact N-O 3.48Å; E250-Y252 HydrophobicContact CB-CD2 4.45Å; E250-Y252 HydrophobicContact CB-CE2 3.67Å; E250-Y252 WeakPolarHBondContact OE2-CE2 3.34Å; E250-Y252 PolarHBondContact OE2-OH 3.29Å
251	L	98.9	Very high	97.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117	177.5	179.7	54.4	0	0	0	110.7	L227 F242 L248 L253 F268 L271 L274 Y276 L277 D278	L227-L251 HydrophobicContact CB-CD1 4.03Å; L227-L251 HydrophobicContact CD2-CD1 3.9Å; L227-L251 HydrophobicContact CG-CD1 4.03Å; F242-L251 HydrophobicContact CD2-CD2 4.38Å; F242-L251 HydrophobicContact CE2-CD2 3.88Å; F242-L251 HydrophobicContact CZ-CD1 4.28Å; F242-L251 HydrophobicContact CZ-CD2 4.04Å; L248-L251 HydrophobicContact CD2-CB 3.98Å; L248-L251 HydrophobicContact CD2-CD1 4.29Å; L248-L251 HydrophobicContact CD2-CD2 4.25Å; L248-L251 HydrophobicContact CD2-CG 4.41Å; L251-L253 HydrophobicContact CD1-CD1 4.22Å; L251-L253 HydrophobicContact CD1-CG 4.05Å; L251-L253 HydrophobicContact CD2-CD1 3.88Å; L251-L253 HydrophobicContact CG-CD1 3.89Å; L251-L253 HydrophobicContact CG-CG 4.07Å; L251-F268 HydrophobicContact CD2-CD1 4.25Å; L251-F268 HydrophobicContact CD2-CE1 4.05Å; L251-L271 HydrophobicContact CD2-CD1 4.04Å; L251-L274 HydrophobicContact CB-CD1 3.85Å; L251-Y276 PolarHBondContact N-O 2.95Å; L251-L277 HydrophobicContact CB-CD1 3.99Å; L251-L277 HydrophobicContact CD2-CD1 3.86Å; L251-L277 HydrophobicContact CG-CD1 3.9Å; L251-D278 PolarHBondContact O-N 2.85Å
252	Y	98.9	Very high	97.6	Very high	35 Å²	35	50.1 Å²	50.1	14%	0.137	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	108.5	-178.1	-60.1	-91.6	0	0	0	110.5	L227 H228 L229 K230 E250 Q254 Y276 D278	L227-Y252 PolarHBondContact O-N 3.2Å; H228-Y252 AromaticContact CD2-CD2 3.52Å; H228-Y252 AromaticContact CD2-CE2 3.78Å; H228-Y252 AromaticContact CE1-CD2 3.82Å; H228-Y252 AromaticContact CE1-CE2 3.6Å; H228-Y252 AromaticContact CG-CD2 3.71Å; H228-Y252 AromaticContact ND1-CD2 3.92Å; H228-Y252 AromaticContact NE2-CD2 3.59Å; H228-Y252 AromaticContact NE2-CE2 3.33Å; H228-Y252 VanDerWaalsContact NE2-CE2 3.33Å; H228-Y252 WeakPolarHBondContact NE2-CE2 3.28Å; L229-Y252 CarbonylContact C-O 3.53Å; L229-Y252 WeakPolarHBondContact CA-O 3.31Å; L229-Y252 WeakPolarHBondContact CB-O 3.21Å; L229-Y252 PolarHBondContact N-O 2.76Å; K230-Y252 PolarHBondContact N-O 3.32Å; E250-Y252 HydrophobicContact CB-CD2 4.45Å; E250-Y252 HydrophobicContact CB-CE2 3.67Å; E250-Y252 WeakPolarHBondContact OE2-CE2 3.34Å; E250-Y252 PolarHBondContact OE2-OH 3.29Å; Y252-Q254 VanDerWaalsContact CB-OE1 3.31Å; Y252-Y276 HydrophobicContact CD1-CD1 4.29Å; Y252-Y276 AromaticContact CD1-CE1 3.49Å; Y252-Y276 HydrophobicContact CD1-CE1 3.49Å; Y252-Y276 VanDerWaalsContact CD1-CE1 3.49Å; Y252-Y276 AromaticContact CE1-CD1 3.87Å; Y252-Y276 HydrophobicContact CE1-CD1 3.87Å; Y252-Y276 AromaticContact CE1-CE1 3.18Å; Y252-Y276 HydrophobicContact CE1-CE1 3.18Å; Y252-Y276 AromaticContact CE1-CZ 3.75Å; Y252-Y276 HydrophobicContact CG-CE1 4.32Å; Y252-Y276 AromaticContact CZ-CD1 3.99Å; Y252-Y276 AromaticContact CZ-CE1 3.78Å; Y252-D278 HydrophobicContact CD1-CB 4.48Å
253	L	98.8	Very high	97.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.247	C	C	.	.			trans	-122.6	11.2	-178.2	-72.2	166.3	0	0	0	112.6	V216 L229 L234 I237 F242 L251 N256 L258 F268 L277 D278 L279 N282	V216-L253 HydrophobicContact CG2-CD2 4.44Å; L229-L253 HydrophobicContact CB-CD2 3.82Å; L229-L253 HydrophobicContact CD1-CD2 3.89Å; L234-L253 HydrophobicContact CD1-CD2 3.8Å; I237-L253 HydrophobicContact CD1-CD1 4.19Å; F242-L253 HydrophobicContact CE2-CD1 4.42Å; F242-L253 HydrophobicContact CZ-CD1 4.5Å; L251-L253 HydrophobicContact CD1-CD1 4.22Å; L251-L253 HydrophobicContact CD1-CG 4.05Å; L251-L253 HydrophobicContact CD2-CD1 3.88Å; L251-L253 HydrophobicContact CG-CD1 3.89Å; L251-L253 HydrophobicContact CG-CG 4.07Å; L253-N256 PolarHBondContact O-ND2 3.28Å; L253-L258 HydrophobicContact CB-CD1 4.22Å; L253-L258 HydrophobicContact CD1-CD1 4.44Å; L253-L258 HydrophobicContact CD2-CD1 4.43Å; L253-F268 HydrophobicContact CD1-CE1 4.11Å; L253-F268 HydrophobicContact CD1-CZ 4.41Å; L253-L277 HydrophobicContact CD1-CD1 4.48Å; L253-D278 CarbonylContact C-O 3.13Å; L253-D278 VanDerWaalsContact CA-O 3.31Å; L253-D278 WeakPolarHBondContact CA-O 3.24Å; L253-D278 WeakPolarHBondContact CB-O 3.11Å; L253-D278 PolarHBondContact N-O 3.35Å; L253-L279 HydrophobicContact CB-CD2 3.94Å; L253-L279 HydrophobicContact CD1-CD2 3.82Å; L253-N282 PolarHBondContact O-ND2 2.92Å
254	Q	98.8	Very high	97.6	Very high	20 Å²	20	48.4 Å²	48.4	9%	0.093	24%	0.238	C	C	.	.			trans	-68	158.4	-177.1	71.2	-81.5	39.3	0	0	114	K230 S231 Y252 N256 D278 S280	K230-Q254 CarbonylContact C-O 3.31Å; K230-Q254 WeakPolarHBondContact CA-O 3.5Å; K230-Q254 VanDerWaalsContact CB-CD 3.45Å; K230-Q254 HydrophobicContact CB-CG 3.92Å; K230-Q254 WeakPolarHBondContact CB-O 3.47Å; K230-Q254 VanDerWaalsContact CB-OE1 3.25Å; S231-Q254 PolarHBondContact N-O 3.08Å; Y252-Q254 VanDerWaalsContact CB-OE1 3.31Å; Q254-N256 PolarHBondContact O-ND2 2.95Å; Q254-D278 WeakPolarHBondContact CB-OD1 3.24Å; Q254-D278 WeakPolarHBondContact CG-OD2 3.09Å; Q254-D278 PolarHBondContact N-O 3.26Å; Q254-D278 PolarHBondContact NE2-OD2 3.41Å; Q254-D278 PolarHBondContact OE1-OD2 3.34Å; Q254-S280 WeakPolarHBondContact CA-O 3.44Å; Q254-S280 VanDerWaalsContact CB-O 3.24Å; Q254-S280 WeakPolarHBondContact CB-O 3.34Å; Q254-S280 VanDerWaalsContact CB-OG 3.25Å; Q254-S280 WeakPolarHBondContact CB-OG 3.25Å
255	N	98.8	Very high	97.5	Very high	68 Å²	68	48.1 Å²	48.1	36%	0.364	24%	0.237	S	C	.	.	S	Bend	trans	57.5	51.8	-178	-51.4	-37.1	0	0	0	111.7	S231 S280 N281	S231-N255 WeakPolarHBondContact CA-O 3.48Å; S231-N255 PolarHBondContact N-O 2.98Å; S231-N255 PolarHBondContact OG-ND2 3.27Å; N255-S280 PolarHBondContact N-O 3.43Å; N255-S280 VanDerWaalsContact N-O 3.14Å; N255-N281 VanDerWaalsContact CA-O 3.25Å; N255-N281 WeakPolarHBondContact CA-O 3.25Å; N255-N281 PolarHBondContact N-O 2.83Å; N255-N281 VanDerWaalsContact OD1-CB 3.28Å; N255-N281 WeakPolarHBondContact OD1-CB 3.32Å; N255-N281 PolarHBondContact OD1-ND2 3.36Å
256	N	98.8	Very high	97.2	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.043	26%	0.263	C	S	.	.	S	Bend	trans	-126.9	-169.9	176.3	-84.4	-67.7	0	0	0	109.6	L229 N232 R233 L234 L253 Q254 L258 N281 N282	L229-N256 PolarHBondContact O-ND2 2.91Å; L229-N256 VanDerWaalsContact O-ND2 3.09Å; N232-N256 WeakPolarHBondContact CA-OD1 3.31Å; N232-N256 WeakPolarHBondContact CB-OD1 3.33Å; N232-N256 PolarHBondContact N-OD1 2.86Å; N232-N256 VanDerWaalsContact N-OD1 3.16Å; N232-N256 PolarHBondContact O-OD1 3.45Å; R233-N256 PolarHBondContact N-OD1 2.99Å; L234-N256 HydrophobicContact CB-CB 4Å; L234-N256 WeakPolarHBondContact CB-OD1 3.06Å; L234-N256 VanDerWaalsContact CG-OD1 3.31Å; L234-N256 WeakPolarHBondContact CG-OD1 3.5Å; L234-N256 PolarHBondContact N-OD1 2.88Å; L253-N256 PolarHBondContact O-ND2 3.28Å; Q254-N256 PolarHBondContact O-ND2 2.95Å; N256-L258 HydrophobicContact CB-CG 4.35Å; N256-N281 PolarHBondContact N-O 2.97Å; N256-N282 WeakPolarHBondContact CA-OD1 3.37Å; N256-N282 WeakPolarHBondContact CB-OD1 3.34Å; N256-N282 PolarHBondContact O-OD1 3.33Å
257	L	98.7	Very high	97.1	Very high	91 Å²	91	48.1 Å²	48.1	48%	0.476	24%	0.244	S	C	.	.			trans	-112.7	22.3	-178.3	-58.7	174.8	0	0	0	112	R233 L234 E235 T259 N282	R233-L257 HydrophobicContact CB-CD1 4.23Å; L234-L257 CarbonylContact O-C 3.06Å; L234-L257 VanDerWaalsContact O-CA 3.24Å; L234-L257 WeakPolarHBondContact O-CA 3.1Å; L234-L257 WeakPolarHBondContact O-CB 3.18Å; L234-L257 PolarHBondContact O-N 3.03Å; E235-L257 HydrophobicContact CG-CB 4.12Å; E235-L257 HydrophobicContact CG-CD1 4.4Å; L257-T259 PolarHBondContact O-N 3.28Å; L257-N282 PolarHBondContact N-OD1 2.88Å
258	L	98.6	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.			trans	-65	137.5	-173.8	-64.9	170.9	0	0	0	110.8	L234 I237 L253 N256 M263 L279 N282 N283 L284	L234-L258 HydrophobicContact CB-CD2 4.05Å; L234-L258 HydrophobicContact CB-CG 4.33Å; L234-L258 PolarHBondContact O-N 2.71Å; I237-L258 HydrophobicContact CD1-CD1 4.13Å; I237-L258 HydrophobicContact CD1-CD2 4.29Å; I237-L258 HydrophobicContact CG1-CD2 3.91Å; L253-L258 HydrophobicContact CB-CD1 4.22Å; L253-L258 HydrophobicContact CD1-CD1 4.44Å; L253-L258 HydrophobicContact CD2-CD1 4.43Å; N256-L258 HydrophobicContact CB-CG 4.35Å; L258-M263 HydrophobicContact CB-CE 3.95Å; L258-M263 HydrophobicContact CD1-CE 4.35Å; L258-L279 HydrophobicContact CD1-CD2 4.17Å; L258-N282 HydrophobicContact CB-CB 4.28Å; L258-N282 VanDerWaalsContact CB-OD1 3.29Å; L258-N282 WeakPolarHBondContact CB-OD1 3.06Å; L258-N282 WeakPolarHBondContact CG-OD1 3.29Å; L258-N282 PolarHBondContact N-OD1 3.45Å; L258-N283 CarbonylContact O-C 3.35Å; L258-N283 VanDerWaalsContact O-CA 3.32Å; L258-N283 WeakPolarHBondContact O-CA 3.4Å; L258-N283 PolarHBondContact O-N 2.87Å; L258-L284 PolarHBondContact O-N 2.98Å
259	T	98.1	Very high	96.8	Very high	43 Å²	43	45.9 Å²	45.9	26%	0.264	24%	0.235	S	C	.	.			trans	-120.7	166.7	172.7	65.5	0	0	0	0	109.6	L257 D261 G262 N283	L257-T259 PolarHBondContact O-N 3.28Å; T259-D261 PolarHBondContact O-N 3.49Å; T259-G262 PolarHBondContact O-N 2.8Å; T259-G262 VanDerWaalsContact O-N 3.08Å; T259-G262 PolarHBondContact OG1-N 3.4Å; T259-N283 HydrophobicContact CG2-CB 4.07Å
260	N	96.8	Very high	96.7	Very high	34 Å²	34	45 Å²	45	18%	0.182	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-59.7	-32.4	175	-66	96.9	0	0	0	112.8	G262 S285 V286	N260-G262 VanDerWaalsContact C-N 3.28Å; N260-S285 WeakPolarHBondContact OD1-CA 3.11Å; N260-S285 PolarHBondContact OD1-N 3.27Å; N260-S285 PolarHBondContact OD1-OG 3.49Å; N260-V286 PolarHBondContact ND2-O 3.4Å; N260-V286 PolarHBondContact OD1-N 3.2Å
261	D	96.6	Very high	96.6	Very high	158 Å²	158	43 Å²	43	85%	0.845	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-80.6	-11.6	178.8	-58.6	-30.1	0	0	0	112.7	T259 M263	T259-D261 PolarHBondContact O-N 3.49Å; D261-M263 VanDerWaalsContact C-N 3.26Å
262	G	96.2	Very high	96.4	Very high	5 Å²	5	45.9 Å²	45.9	5%	0.052	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-83.2	0.7	174.6	0	0	0	0	0	113.5	K236 I237 T259 N260	K236-G262 CarbonylContact C-O 3.18Å; K236-G262 WeakPolarHBondContact CA-O 3.48Å; I237-G262 PolarHBondContact N-O 3.25Å; T259-G262 PolarHBondContact O-N 2.8Å; T259-G262 VanDerWaalsContact O-N 3.08Å; T259-G262 PolarHBondContact OG1-N 3.4Å; N260-G262 VanDerWaalsContact C-N 3.28Å
263	M	95.9	Very high	96.4	Very high	15 Å²	15	46.1 Å²	46.1	7%	0.074	25%	0.253	C	S	.	.	S	Bend	trans	-147	157.8	179.9	64.9	-173.6	76.4	0	0	110.8	I237 L258 D261 T267 F268 L284 P288	I237-M263 HydrophobicContact CB-CB 4.45Å; I237-M263 HydrophobicContact CD1-CB 4.3Å; I237-M263 HydrophobicContact CD1-CE 4.34Å; L258-M263 HydrophobicContact CB-CE 3.95Å; L258-M263 HydrophobicContact CD1-CE 4.35Å; D261-M263 VanDerWaalsContact C-N 3.26Å; M263-T267 HydrophobicContact CB-CG2 4.43Å; M263-F268 HydrophobicContact SD-CE2 3.89Å; M263-F268 HydrophobicContact SD-CZ 4.25Å; M263-L284 HydrophobicContact CE-CD2 3.6Å; M263-L284 HydrophobicContact SD-CD2 4.48Å; M263-P288 HydrophobicContact SD-CB 4.39Å; M263-P288 HydrophobicContact SD-CG 4.27Å
264	D	93.6	Very high	96.4	Very high	64 Å²	64	46.1 Å²	46.1	34%	0.342	25%	0.253	S	S	.	.			trans	-89.6	157.9	-179.1	-43.9	-19.5	0	0	0	109.3	T239 E266 T267	T239-D264 VanDerWaalsContact CA-OD2 3.25Å; T239-D264 WeakPolarHBondContact CA-OD2 3.33Å; T239-D264 WeakPolarHBondContact CB-OD2 3.29Å; T239-D264 VanDerWaalsContact CG2-OD2 3.27Å; T239-D264 WeakPolarHBondContact CG2-OD2 3.49Å; T239-D264 PolarHBondContact OG1-OD1 3.14Å; T239-D264 PolarHBondContact OG1-OD2 3.37Å; D264-E266 PolarHBondContact O-N 3.19Å; D264-T267 WeakPolarHBondContact CA-OG1 3.38Å; D264-T267 PolarHBondContact N-OG1 3.18Å; D264-T267 WeakPolarHBondContact O-CB 3.24Å; D264-T267 PolarHBondContact O-N 3.09Å; D264-T267 VanDerWaalsContact O-N 3.15Å; D264-T267 PolarHBondContact O-OG1 3.13Å; D264-T267 VanDerWaalsContact O-OG1 3.05Å
265	N	90.3	Very high	96.4	Very high	102 Å²	102	48.8 Å²	48.8	55%	0.545	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.7	177.8	-74.1	-31.4	0	0	0	113.6	K289 G290	N265-K289 HydrophobicContact CB-CB 4.25Å; N265-K289 CarbonylContact O-C 3.23Å; N265-G290 WeakPolarHBondContact O-CA 3.11Å; N265-G290 PolarHBondContact O-N 2.9Å
266	E	91.5	Very high	96.4	Very high	120 Å²	120	47.1 Å²	47.1	56%	0.561	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	8.5	-177.3	-61.5	-57.3	139.8	0	0	112.6	D264 F268 S269	D264-E266 PolarHBondContact O-N 3.19Å; E266-F268 PolarHBondContact O-N 2.94Å; E266-S269 PolarHBondContact O-N 3.24Å; E266-S269 PolarHBondContact O-OG 3.46Å; E266-S269 VanDerWaalsContact O-OG 3.08Å; E266-S269 WeakPolarHBondContact OE2-CB 3.49Å; E266-S269 PolarHBondContact OE2-OG 3.05Å
267	T	95.5	Very high	96.4	Very high	17 Å²	17	46.7 Å²	46.7	10%	0.104	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-34.7	-175.7	-70.1	0	0	0	0	113.6	I237 F242 M263 D264	I237-T267 HydrophobicContact CB-CG2 4.16Å; I237-T267 HydrophobicContact CD1-CG2 4.02Å; I237-T267 HydrophobicContact CG2-CG2 3.65Å; F242-T267 HydrophobicContact CD2-CG2 3.86Å; F242-T267 HydrophobicContact CE2-CG2 4.22Å; M263-T267 HydrophobicContact CB-CG2 4.43Å; D264-T267 WeakPolarHBondContact CA-OG1 3.38Å; D264-T267 PolarHBondContact N-OG1 3.18Å; D264-T267 WeakPolarHBondContact O-CB 3.24Å; D264-T267 PolarHBondContact O-N 3.09Å; D264-T267 VanDerWaalsContact O-N 3.15Å; D264-T267 PolarHBondContact O-OG1 3.13Å; D264-T267 VanDerWaalsContact O-OG1 3.05Å
268	F	96.8	Very high	96.4	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	1.6	-178	-51.7	-69.5	0	0	0	113.9	I237 F242 L251 L253 M263 E266 Q270 L271 L277 L279 G290 L291	I237-F268 HydrophobicContact CD1-CE1 4.33Å; I237-F268 HydrophobicContact CD1-CZ 4.01Å; F242-F268 HydrophobicContact CD2-CD1 4.25Å; F242-F268 HydrophobicContact CD2-CE1 4.22Å; F242-F268 HydrophobicContact CE2-CD1 4.41Å; F242-F268 AromaticContact CE2-CE1 3.94Å; F242-F268 HydrophobicContact CE2-CE1 3.94Å; L251-F268 HydrophobicContact CD2-CD1 4.25Å; L251-F268 HydrophobicContact CD2-CE1 4.05Å; L253-F268 HydrophobicContact CD1-CE1 4.11Å; L253-F268 HydrophobicContact CD1-CZ 4.41Å; M263-F268 HydrophobicContact SD-CE2 3.89Å; M263-F268 HydrophobicContact SD-CZ 4.25Å; E266-F268 PolarHBondContact O-N 2.94Å; F268-Q270 PolarHBondContact O-N 3.19Å; F268-L271 HydrophobicContact CB-CD1 4.22Å; F268-L271 HydrophobicContact CD1-CD1 3.9Å; F268-L271 WeakPolarHBondContact O-CB 3.27Å; F268-L271 PolarHBondContact O-N 2.62Å; F268-L277 HydrophobicContact CD1-CD2 4.33Å; F268-L277 HydrophobicContact CE1-CD1 4.28Å; F268-L277 HydrophobicContact CE1-CD2 4.46Å; F268-L277 HydrophobicContact CG-CD2 4.36Å; F268-L279 HydrophobicContact CE2-CD1 4.2Å; F268-L279 HydrophobicContact CZ-CD1 4.17Å; F268-L279 HydrophobicContact CZ-CD2 4.16Å; F268-G290 CarbonylContact C-O 3.1Å; F268-G290 VanDerWaalsContact C-O 3.31Å; F268-L291 HydrophobicContact CD2-CD2 4.31Å
269	S	94.6	Very high	96.4	Very high	36 Å²	36	42.8 Å²	42.8	25%	0.252	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-26.6	-164.6	68.9	0	0	0	0	113.7	E266 G290	E266-S269 PolarHBondContact O-N 3.24Å; E266-S269 PolarHBondContact O-OG 3.46Å; E266-S269 VanDerWaalsContact O-OG 3.08Å; E266-S269 WeakPolarHBondContact OE2-CB 3.49Å; E266-S269 PolarHBondContact OE2-OG 3.05Å; S269-G290 WeakPolarHBondContact CA-O 3.48Å; S269-G290 WeakPolarHBondContact CB-O 3.38Å; S269-G290 PolarHBondContact N-O 3.01Å; S269-G290 VanDerWaalsContact N-O 3.15Å
270	Q	94.9	Very high	96.5	Very high	85 Å²	85	41.1 Å²	41.1	40%	0.397	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-8.6	176.8	-58.9	-55.2	-40.1	0	0	114	E243 F268 S272	E243-Q270 HydrophobicContact CG-CG 4.41Å; E243-Q270 WeakPolarHBondContact O-CB 3.21Å; F268-Q270 PolarHBondContact O-N 3.19Å; Q270-S272 PolarHBondContact O-N 3.25Å
271	L	97.3	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.			trans	-75.4	65	-178.8	-61	-179.5	0	0	0	111.4	F242 L245 L248 L251 F268 S273 L274 P292	F242-L271 HydrophobicContact CB-CD2 4.07Å; F242-L271 HydrophobicContact CB-CG 4.46Å; L245-L271 HydrophobicContact CB-CD2 3.71Å; L245-L271 VanDerWaalsContact O-CD2 3.25Å; L245-L271 WeakPolarHBondContact O-CD2 3.12Å; L248-L271 HydrophobicContact CB-CD2 4.3Å; L248-L271 HydrophobicContact CD2-CD1 4.49Å; L248-L271 HydrophobicContact CD2-CD2 4.16Å; L251-L271 HydrophobicContact CD2-CD1 4.04Å; F268-L271 HydrophobicContact CB-CD1 4.22Å; F268-L271 HydrophobicContact CD1-CD1 3.9Å; F268-L271 WeakPolarHBondContact O-CB 3.27Å; F268-L271 PolarHBondContact O-N 2.62Å; L271-S273 VanDerWaalsContact C-N 3.25Å; L271-S273 PolarHBondContact O-N 2.91Å; L271-L274 HydrophobicContact CB-CB 3.89Å; L271-L274 HydrophobicContact CB-CD2 4.27Å; L271-L274 HydrophobicContact CD1-CD2 3.85Å; L271-L274 WeakPolarHBondContact O-CB 3.32Å; L271-L274 PolarHBondContact O-N 3Å; L271-L274 VanDerWaalsContact O-N 3.11Å; L271-P292 HydrophobicContact CB-CB 4.37Å; L271-P292 HydrophobicContact CB-CG 4.43Å; L271-P292 WeakPolarHBondContact O-CB 3.26Å
272	S	96.1	Very high	96.7	Very high	61 Å²	61	36 Å²	36	43%	0.427	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.7	-165.9	67.6	0	0	0	0	114.1	R246 Q270 N294	R246-S272 PolarHBondContact O-OG 3.27Å; Q270-S272 PolarHBondContact O-N 3.25Å; S272-N294 PolarHBondContact O-ND2 3.44Å
273	S	98.1	Very high	96.8	Very high	41 Å²	41	40.3 Å²	40.3	29%	0.287	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	2.7	177.9	-53.6	0	0	0	0	113.8	R246 L248 L271 E275	R246-S273 VanDerWaalsContact O-CB 3.23Å; R246-S273 WeakPolarHBondContact O-CB 3.42Å; R246-S273 PolarHBondContact O-N 2.78Å; R246-S273 PolarHBondContact O-OG 2.89Å; L248-S273 CarbonylContact O-C 3.44Å; L271-S273 VanDerWaalsContact C-N 3.25Å; L271-S273 PolarHBondContact O-N 2.91Å; S273-E275 PolarHBondContact O-N 2.66Å
274	L	98.7	Very high	96.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.			trans	-70.7	122.4	-172.4	-162.8	76.6	0	0	0	111.3	L248 L251 L271 L277 P292 N294 L295	L248-L274 HydrophobicContact CB-CD1 4.38Å; L248-L274 HydrophobicContact CD2-CD1 4.05Å; L248-L274 HydrophobicContact CG-CD1 4Å; L248-L274 WeakPolarHBondContact O-CA 3.49Å; L248-L274 PolarHBondContact O-N 2.94Å; L251-L274 HydrophobicContact CB-CD1 3.85Å; L271-L274 HydrophobicContact CB-CB 3.89Å; L271-L274 HydrophobicContact CB-CD2 4.27Å; L271-L274 HydrophobicContact CD1-CD2 3.85Å; L271-L274 WeakPolarHBondContact O-CB 3.32Å; L271-L274 PolarHBondContact O-N 3Å; L271-L274 VanDerWaalsContact O-N 3.11Å; L274-L277 HydrophobicContact CD2-CB 3.97Å; L274-L277 HydrophobicContact CD2-CD1 4.4Å; L274-L277 HydrophobicContact CD2-CD2 4.37Å; L274-L277 HydrophobicContact CD2-CG 4.49Å; L274-P292 HydrophobicContact CB-CB 4.43Å; L274-P292 HydrophobicContact CB-CG 3.9Å; L274-P292 HydrophobicContact CD2-CG 3.77Å; L274-P292 HydrophobicContact CG-CG 4.41Å; L274-N294 CarbonylContact O-C 3.21Å; L274-L295 HydrophobicContact CD2-CD1 4.2Å; L274-L295 HydrophobicContact CG-CD1 4.32Å; L274-L295 VanDerWaalsContact O-CA 3.29Å; L274-L295 WeakPolarHBondContact O-CA 3.4Å; L274-L295 PolarHBondContact O-N 3.4Å; L274-L295 VanDerWaalsContact O-N 3.11Å
275	E	98.8	Very high	97.1	Very high	75 Å²	75	39 Å²	39	35%	0.35	21%	0.213	S	C	.	.			trans	-105.6	-34.5	-179.7	-70.3	167.4	-145.3	0	0	111	R249 S273 V296 L297	R249-E275 IonicContact CZ-OE1 3.96Å; R249-E275 IonicContact CZ-OE2 2.91Å; R249-E275 IonicContact NE-OE1 3.26Å; R249-E275 PolarHBondContact NE-OE1 3.2Å; R249-E275 IonicContact NE-OE2 2.87Å; R249-E275 IonicContact NH2-OE1 3.32Å; R249-E275 PolarHBondContact NH2-OE1 3.02Å; R249-E275 IonicContact NH2-OE2 3.08Å; R249-E275 PolarHBondContact NH2-OE2 3.5Å; R249-E275 PolarHBondContact O-N 3.05Å; S273-E275 PolarHBondContact O-N 2.66Å; E275-V296 HydrophobicContact CB-CG2 4.39Å; E275-V296 HydrophobicContact CG-CG2 4.49Å; E275-V296 PolarHBondContact O-N 3.13Å; E275-L297 PolarHBondContact O-N 3.45Å; E275-L297 VanDerWaalsContact O-N 3.1Å
276	Y	98.9	Very high	97.5	Very high	33 Å²	33	36 Å²	36	13%	0.129	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.3	-175.8	-177.7	-83.8	0	0	0	111.2	R249 L251 Y252 D278 L297 H299	R249-Y276 PolarHBondContact O-N 3.49Å; L251-Y276 PolarHBondContact N-O 2.95Å; Y252-Y276 HydrophobicContact CD1-CD1 4.29Å; Y252-Y276 AromaticContact CD1-CE1 3.49Å; Y252-Y276 HydrophobicContact CD1-CE1 3.49Å; Y252-Y276 VanDerWaalsContact CD1-CE1 3.49Å; Y252-Y276 AromaticContact CE1-CD1 3.87Å; Y252-Y276 HydrophobicContact CE1-CD1 3.87Å; Y252-Y276 AromaticContact CE1-CE1 3.18Å; Y252-Y276 HydrophobicContact CE1-CE1 3.18Å; Y252-Y276 AromaticContact CE1-CZ 3.75Å; Y252-Y276 HydrophobicContact CG-CE1 4.32Å; Y252-Y276 AromaticContact CZ-CD1 3.99Å; Y252-Y276 AromaticContact CZ-CE1 3.78Å; Y276-D278 HydrophobicContact CE1-CB 3.58Å; Y276-L297 HydrophobicContact CD2-CB 4.17Å; Y276-L297 HydrophobicContact CD2-CD2 3.65Å; Y276-L297 HydrophobicContact CD2-CG 3.91Å; Y276-L297 HydrophobicContact CE2-CD2 3.47Å; Y276-L297 VanDerWaalsContact CE2-CD2 3.47Å; Y276-L297 HydrophobicContact CE2-CG 3.91Å; Y276-H299 AromaticContact CE2-CD2 3.77Å; Y276-H299 AromaticContact CE2-NE2 3.61Å; Y276-H299 AromaticContact CZ-CD2 3.75Å; Y276-H299 AromaticContact CZ-NE2 3.8Å; Y276-H299 PolarHBondContact OH-CD2 2.82Å; Y276-H299 PolarHBondContact OH-NE2 3.09Å
277	L	98.9	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	118.8	174.4	178.6	56.7	0	0	0	110	L251 L253 F268 L274 L279 L291 L295 L297 L298 H299	L251-L277 HydrophobicContact CB-CD1 3.99Å; L251-L277 HydrophobicContact CD2-CD1 3.86Å; L251-L277 HydrophobicContact CG-CD1 3.9Å; L253-L277 HydrophobicContact CD1-CD1 4.48Å; F268-L277 HydrophobicContact CD1-CD2 4.33Å; F268-L277 HydrophobicContact CE1-CD1 4.28Å; F268-L277 HydrophobicContact CE1-CD2 4.46Å; F268-L277 HydrophobicContact CG-CD2 4.36Å; L274-L277 HydrophobicContact CD2-CB 3.97Å; L274-L277 HydrophobicContact CD2-CD1 4.4Å; L274-L277 HydrophobicContact CD2-CD2 4.37Å; L274-L277 HydrophobicContact CD2-CG 4.49Å; L277-L279 HydrophobicContact CD1-CD1 4.44Å; L277-L279 HydrophobicContact CD1-CG 4.12Å; L277-L279 HydrophobicContact CD2-CD1 3.91Å; L277-L279 HydrophobicContact CD2-CG 4.44Å; L277-L279 HydrophobicContact CG-CD1 4.1Å; L277-L279 HydrophobicContact CG-CG 4.1Å; L277-L291 HydrophobicContact CD2-CD2 3.84Å; L277-L295 HydrophobicContact CB-CD1 3.63Å; L277-L295 HydrophobicContact CB-CD2 4.41Å; L277-L297 PolarHBondContact N-O 3Å; L277-L297 VanDerWaalsContact N-O 3.16Å; L277-L298 HydrophobicContact CB-CD1 4.1Å; L277-L298 HydrophobicContact CD2-CD1 4.01Å; L277-L298 HydrophobicContact CG-CD1 4.02Å; L277-H299 PolarHBondContact O-N 3.09Å
278	D	98.9	Very high	97.8	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.043	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.5	174.5	-169.8	-1.8	0	0	0	112.6	L251 Y252 L253 Q254 Y276 S280 H299	L251-D278 PolarHBondContact O-N 2.85Å; Y252-D278 HydrophobicContact CD1-CB 4.48Å; L253-D278 CarbonylContact C-O 3.13Å; L253-D278 VanDerWaalsContact CA-O 3.31Å; L253-D278 WeakPolarHBondContact CA-O 3.24Å; L253-D278 WeakPolarHBondContact CB-O 3.11Å; L253-D278 PolarHBondContact N-O 3.35Å; Q254-D278 WeakPolarHBondContact CB-OD1 3.24Å; Q254-D278 WeakPolarHBondContact CG-OD2 3.09Å; Q254-D278 PolarHBondContact N-O 3.26Å; Q254-D278 PolarHBondContact NE2-OD2 3.41Å; Q254-D278 PolarHBondContact OE1-OD2 3.34Å; Y276-D278 HydrophobicContact CE1-CB 3.58Å; D278-S280 WeakPolarHBondContact OD1-CB 3.35Å; D278-S280 PolarHBondContact OD1-N 3.17Å; D278-S280 PolarHBondContact OD1-OG 3.01Å; D278-H299 HydrophobicContact CB-CB 4.15Å; D278-H299 WeakPolarHBondContact OD1-CB 3.26Å; D278-H299 IonicContact OD1-CG 2.71Å
279	L	98.8	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.			trans	-112.5	14.8	174.5	-71.6	166.9	0	0	0	111.4	L253 L258 F268 L277 N282 L284 P288 H299 L300 N303	L253-L279 HydrophobicContact CB-CD2 3.94Å; L253-L279 HydrophobicContact CD1-CD2 3.82Å; L258-L279 HydrophobicContact CD1-CD2 4.17Å; F268-L279 HydrophobicContact CE2-CD1 4.2Å; F268-L279 HydrophobicContact CZ-CD1 4.17Å; F268-L279 HydrophobicContact CZ-CD2 4.16Å; L277-L279 HydrophobicContact CD1-CD1 4.44Å; L277-L279 HydrophobicContact CD1-CG 4.12Å; L277-L279 HydrophobicContact CD2-CD1 3.91Å; L277-L279 HydrophobicContact CD2-CG 4.44Å; L277-L279 HydrophobicContact CG-CD1 4.1Å; L277-L279 HydrophobicContact CG-CG 4.1Å; L279-N282 PolarHBondContact O-ND2 2.98Å; L279-L284 HydrophobicContact CB-CD1 4.12Å; L279-L284 HydrophobicContact CD1-CD1 4.36Å; L279-P288 HydrophobicContact CD1-CG 4.26Å; L279-H299 CarbonylContact C-O 3.44Å; L279-H299 PolarHBondContact N-O 2.84Å; L279-L300 HydrophobicContact CB-CD2 3.93Å; L279-L300 HydrophobicContact CD1-CD2 4.1Å; L279-N303 PolarHBondContact O-ND2 3.39Å
280	S	98.9	Very high	97.6	Very high	9 Å²	9	32.2 Å²	32.2	6%	0.063	18%	0.18	C	C	.	.			trans	-63.3	155.4	-178.3	65.8	0	0	0	0	112.4	Q254 N255 D278 N282 H299 E301	Q254-S280 WeakPolarHBondContact CA-O 3.44Å; Q254-S280 VanDerWaalsContact CB-O 3.24Å; Q254-S280 WeakPolarHBondContact CB-O 3.34Å; Q254-S280 VanDerWaalsContact CB-OG 3.25Å; Q254-S280 WeakPolarHBondContact CB-OG 3.25Å; N255-S280 PolarHBondContact N-O 3.43Å; N255-S280 VanDerWaalsContact N-O 3.14Å; D278-S280 WeakPolarHBondContact OD1-CB 3.35Å; D278-S280 PolarHBondContact OD1-N 3.17Å; D278-S280 PolarHBondContact OD1-OG 3.01Å; S280-N282 VanDerWaalsContact C-N 3.34Å; S280-N282 PolarHBondContact O-N 2.9Å; S280-N282 PolarHBondContact O-ND2 3.32Å; S280-H299 PolarHBondContact N-O 3.48Å; S280-E301 CarbonylContact C-O 2.96Å; S280-E301 WeakPolarHBondContact CA-O 3.44Å; S280-E301 VanDerWaalsContact CB-CD 3.43Å; S280-E301 WeakPolarHBondContact CB-O 3.31Å; S280-E301 WeakPolarHBondContact CB-OE1 3.28Å
281	N	98.8	Very high	97.7	Very high	72 Å²	72	28.3 Å²	28.3	39%	0.385	16%	0.162	S	C	.	.	S	Bend	trans	51.7	50.9	178.2	-160.6	41.4	0	0	0	113.4	N255 N256 E301 K302	N255-N281 VanDerWaalsContact CA-O 3.25Å; N255-N281 WeakPolarHBondContact CA-O 3.25Å; N255-N281 PolarHBondContact N-O 2.83Å; N255-N281 VanDerWaalsContact OD1-CB 3.28Å; N255-N281 WeakPolarHBondContact OD1-CB 3.32Å; N255-N281 PolarHBondContact OD1-ND2 3.36Å; N256-N281 PolarHBondContact N-O 2.97Å; N281-E301 PolarHBondContact N-O 3.02Å; N281-K302 WeakPolarHBondContact CA-O 3.47Å; N281-K302 HydrophobicContact CB-CB 4.09Å; N281-K302 HydrophobicContact CB-CD 4.48Å
282	N	98.8	Very high	97.6	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.07	16%	0.163	C	C	.	.	S	Bend	trans	-118.7	-167.2	169.6	-85	-81.5	0	0	0	109.2	L253 N256 L257 L258 L279 S280 L284 N303	L253-N282 PolarHBondContact O-ND2 2.92Å; N256-N282 WeakPolarHBondContact CA-OD1 3.37Å; N256-N282 WeakPolarHBondContact CB-OD1 3.34Å; N256-N282 PolarHBondContact O-OD1 3.33Å; L257-N282 PolarHBondContact N-OD1 2.88Å; L258-N282 HydrophobicContact CB-CB 4.28Å; L258-N282 VanDerWaalsContact CB-OD1 3.29Å; L258-N282 WeakPolarHBondContact CB-OD1 3.06Å; L258-N282 WeakPolarHBondContact CG-OD1 3.29Å; L258-N282 PolarHBondContact N-OD1 3.45Å; L279-N282 PolarHBondContact O-ND2 2.98Å; S280-N282 VanDerWaalsContact C-N 3.34Å; S280-N282 PolarHBondContact O-N 2.9Å; S280-N282 PolarHBondContact O-ND2 3.32Å; N282-L284 HydrophobicContact CB-CG 4.35Å; N282-N303 VanDerWaalsContact CA-OD1 3.27Å; N282-N303 WeakPolarHBondContact CA-OD1 3.25Å; N282-N303 WeakPolarHBondContact CB-OD1 3.42Å; N282-N303 PolarHBondContact N-OD1 3.48Å; N282-N303 PolarHBondContact O-OD1 2.82Å; N282-N303 VanDerWaalsContact O-OD1 3.06Å
283	N	98.5	Very high	97.5	Very high	95 Å²	95	33 Å²	33	51%	0.508	17%	0.17	S	C	.	.			trans	-112.6	35.9	178.7	-164.5	37.8	0	0	0	112.4	L258 T259 N303	L258-N283 CarbonylContact O-C 3.35Å; L258-N283 VanDerWaalsContact O-CA 3.32Å; L258-N283 WeakPolarHBondContact O-CA 3.4Å; L258-N283 PolarHBondContact O-N 2.87Å; T259-N283 HydrophobicContact CG2-CB 4.07Å; N283-N303 PolarHBondContact N-OD1 2.64Å
284	L	98.6	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.			trans	-68.6	135.8	176.8	-57.9	177.3	0	0	0	110.7	L258 M263 L279 N282 P288 L300 N303 A304 I305	L258-L284 PolarHBondContact O-N 2.98Å; M263-L284 HydrophobicContact CE-CD2 3.6Å; M263-L284 HydrophobicContact SD-CD2 4.48Å; L279-L284 HydrophobicContact CB-CD1 4.12Å; L279-L284 HydrophobicContact CD1-CD1 4.36Å; N282-L284 HydrophobicContact CB-CG 4.35Å; L284-P288 HydrophobicContact CD1-CG 4.06Å; L284-L300 HydrophobicContact CD1-CD2 3.85Å; L284-N303 HydrophobicContact CB-CB 4.19Å; L284-N303 VanDerWaalsContact CB-OD1 3.32Å; L284-N303 WeakPolarHBondContact CB-OD1 3.21Å; L284-N303 WeakPolarHBondContact CG-OD1 3.39Å; L284-N303 PolarHBondContact N-OD1 2.85Å; L284-A304 CarbonylContact O-C 3.05Å; L284-A304 WeakPolarHBondContact O-CA 3.2Å; L284-A304 PolarHBondContact O-N 2.97Å; L284-I305 HydrophobicContact CB-CD1 4.5Å; L284-I305 HydrophobicContact CB-CG1 4.11Å; L284-I305 WeakPolarHBondContact O-CG1 3.16Å; L284-I305 PolarHBondContact O-N 3.26Å
285	S	98.1	Very high	97.4	Very high	50 Å²	50	34.2 Å²	34.2	35%	0.35	17%	0.174	S	C	.	.	S	Bend	trans	-104.6	-19.1	179.6	72.1	0	0	0	0	113.5	N260 I305 R306	N260-S285 WeakPolarHBondContact OD1-CA 3.11Å; N260-S285 PolarHBondContact OD1-N 3.27Å; N260-S285 PolarHBondContact OD1-OG 3.49Å; S285-I305 CarbonylContact O-C 3.45Å; S285-I305 WeakPolarHBondContact O-CA 3.1Å; S285-R306 PolarHBondContact O-N 2.83Å
286	V	98.1	Very high	97.4	Very high	39 Å²	39	32.6 Å²	32.6	24%	0.236	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-141	148.8	179	-173.2	0	0	0	0	108.5	N260 P288 P309	N260-V286 PolarHBondContact ND2-O 3.4Å; N260-V286 PolarHBondContact OD1-N 3.2Å; V286-P288 WeakPolarHBondContact O-CD 3.24Å; V286-P309 VanDerWaalsContact CG1-CD 3.44Å; V286-P309 HydrophobicContact CG1-CG 3.44Å; V286-P309 VanDerWaalsContact CG1-CG 3.44Å
287	V	97.9	Very high	97.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	17%	0.168	C	C	.	.			trans	-59.3	125	170.2	177.8	0	0	0	0	109.6	L291 L300 I305 S307 I308 A312 L313 L324	V287-L291 HydrophobicContact CG1-CD1 4.38Å; V287-L300 HydrophobicContact CG1-CD1 4Å; V287-L300 HydrophobicContact CG2-CD1 4.2Å; V287-I305 HydrophobicContact CG2-CD1 4.39Å; V287-I305 HydrophobicContact CG2-CG2 4.07Å; V287-S307 PolarHBondContact N-O 3.05Å; V287-I308 HydrophobicContact CB-CG2 4.31Å; V287-I308 HydrophobicContact CG2-CB 4.31Å; V287-I308 HydrophobicContact CG2-CD1 4.48Å; V287-I308 HydrophobicContact CG2-CG1 3.84Å; V287-I308 HydrophobicContact CG2-CG2 4.02Å; V287-A312 HydrophobicContact CB-CB 4.27Å; V287-A312 HydrophobicContact CG1-CB 4.05Å; V287-L313 HydrophobicContact CG1-CD2 3.89Å; V287-L313 HydrophobicContact CG1-CG 4.3Å; V287-L324 HydrophobicContact CG2-CD2 3.98Å
288	P	95.9	Very high	97.4	Very high	7 Å²	7	31.9 Å²	31.9	5%	0.045	17%	0.168	C	C	.	.			trans	-58.8	149.8	180	-24.5	34.1	0	0	0	113.2	M263 L279 L284 V286	M263-P288 HydrophobicContact SD-CB 4.39Å; M263-P288 HydrophobicContact SD-CG 4.27Å; L279-P288 HydrophobicContact CD1-CG 4.26Å; L284-P288 HydrophobicContact CD1-CG 4.06Å; V286-P288 WeakPolarHBondContact O-CD 3.24Å
289	K	93.7	Very high	97.4	Very high	69 Å²	69	32.6 Å²	32.6	30%	0.3	17%	0.17	S	C	.	.	S	Bend	trans	-88.3	175.3	170.8	-61	-171.2	-177.7	-167.7	0	110.3	N265 L291 D311	N265-K289 HydrophobicContact CB-CB 4.25Å; N265-K289 CarbonylContact O-C 3.23Å; K289-L291 PolarHBondContact O-N 2.92Å; K289-D311 WeakPolarHBondContact CE-OD1 3.23Å; K289-D311 VanDerWaalsContact CE-OD2 3.29Å; K289-D311 WeakPolarHBondContact CE-OD2 3.25Å; K289-D311 IonicContact NZ-OD1 3.38Å; K289-D311 IonicContact NZ-OD2 3.51Å; K289-D311 PolarHBondContact NZ-OD2 2.91Å
290	G	93.4	Very high	97.4	Very high	17 Å²	17	32.6 Å²	32.6	18%	0.175	17%	0.17	C	C	.	.	S	Bend	trans	64.9	23.7	174.8	0	0	0	0	0	114.4	N265 F268 S269	N265-G290 WeakPolarHBondContact O-CA 3.11Å; N265-G290 PolarHBondContact O-N 2.9Å; F268-G290 CarbonylContact C-O 3.1Å; F268-G290 VanDerWaalsContact C-O 3.31Å; S269-G290 WeakPolarHBondContact CA-O 3.48Å; S269-G290 WeakPolarHBondContact CB-O 3.38Å; S269-G290 PolarHBondContact N-O 3.01Å; S269-G290 VanDerWaalsContact N-O 3.15Å
291	L	96.5	Very high	97.4	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	17%	0.172	C	C	.	.			trans	-65	143	177.4	-68	166.5	0	0	0	110.9	F268 L277 V287 K289 L298 L313 S315 V316	F268-L291 HydrophobicContact CD2-CD2 4.31Å; L277-L291 HydrophobicContact CD2-CD2 3.84Å; V287-L291 HydrophobicContact CG1-CD1 4.38Å; K289-L291 PolarHBondContact O-N 2.92Å; L291-L298 HydrophobicContact CD1-CD2 3.71Å; L291-L298 HydrophobicContact CD2-CD2 4.41Å; L291-L313 HydrophobicContact CD1-CD2 3.72Å; L291-S315 WeakPolarHBondContact O-CB 3.23Å; L291-S315 PolarHBondContact O-OG 3.37Å; L291-V316 HydrophobicContact CB-CG1 3.45Å; L291-V316 VanDerWaalsContact CB-CG1 3.45Å; L291-V316 HydrophobicContact CD1-CG1 4.39Å
292	P	95.3	Very high	97.4	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.019	18%	0.178	C	C	.	.			trans	-73.6	147.6	-172	26.2	-31.7	0	0	0	112.5	L271 L274 N294 L295 V316	L271-P292 HydrophobicContact CB-CB 4.37Å; L271-P292 HydrophobicContact CB-CG 4.43Å; L271-P292 WeakPolarHBondContact O-CB 3.26Å; L274-P292 HydrophobicContact CB-CB 4.43Å; L274-P292 HydrophobicContact CB-CG 3.9Å; L274-P292 HydrophobicContact CD2-CG 3.77Å; L274-P292 HydrophobicContact CG-CG 4.41Å; P292-N294 VanDerWaalsContact C-N 3.33Å; P292-N294 PolarHBondContact O-N 3.41Å; P292-L295 HydrophobicContact CG-CB 4.44Å; P292-L295 WeakPolarHBondContact O-CB 3.22Å; P292-L295 PolarHBondContact O-N 3.33Å; P292-V316 VanDerWaalsContact O-CG1 3.27Å; P292-V316 WeakPolarHBondContact O-CG1 3.49Å
293	R	94.8	Very high	97.4	Very high	156 Å²	156	35.2 Å²	35.2	59%	0.589	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-33.6	-171.8	178	174.1	174.5	171	-4.7	114.5	L295 S315	R293-L295 VanDerWaalsContact C-N 3.31Å; R293-S315 WeakPolarHBondContact CA-O 3.32Å
294	N	96.8	Very high	97.4	Very high	67 Å²	67	31.1 Å²	31.1	36%	0.358	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	1	-172.3	-76.5	-30.1	0	0	0	114.1	S272 L274 P292 V296 N318	S272-N294 PolarHBondContact O-ND2 3.44Å; L274-N294 CarbonylContact O-C 3.21Å; P292-N294 VanDerWaalsContact C-N 3.33Å; P292-N294 PolarHBondContact O-N 3.41Å; N294-V296 PolarHBondContact O-N 3.31Å; N294-N318 PolarHBondContact OD1-ND2 2.98Å
295	L	98.1	Very high	97.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.			trans	-57	130.6	179.5	-162.1	68.4	0	0	0	111.2	L274 L277 P292 R293 L298 V316 N318 I319	L274-L295 HydrophobicContact CD2-CD1 4.2Å; L274-L295 HydrophobicContact CG-CD1 4.32Å; L274-L295 VanDerWaalsContact O-CA 3.29Å; L274-L295 WeakPolarHBondContact O-CA 3.4Å; L274-L295 PolarHBondContact O-N 3.4Å; L274-L295 VanDerWaalsContact O-N 3.11Å; L277-L295 HydrophobicContact CB-CD1 3.63Å; L277-L295 HydrophobicContact CB-CD2 4.41Å; P292-L295 HydrophobicContact CG-CB 4.44Å; P292-L295 WeakPolarHBondContact O-CB 3.22Å; P292-L295 PolarHBondContact O-N 3.33Å; R293-L295 VanDerWaalsContact C-N 3.31Å; L295-L298 HydrophobicContact CD2-CB 3.76Å; L295-L298 HydrophobicContact CD2-CD1 4.09Å; L295-L298 HydrophobicContact CD2-CD2 4.01Å; L295-L298 HydrophobicContact CD2-CG 4.16Å; L295-V316 HydrophobicContact CB-CG1 4.14Å; L295-V316 HydrophobicContact CD2-CG1 4.13Å; L295-N318 CarbonylContact O-C 3.51Å; L295-I319 WeakPolarHBondContact O-CA 3.33Å; L295-I319 PolarHBondContact O-N 2.95Å
296	V	98.6	Very high	97.4	Very high	42 Å²	42	36.3 Å²	36.3	26%	0.255	17%	0.169	S	C	.	.			trans	-105.3	-41.7	179.4	178.6	0	0	0	0	110.3	E275 N294 E320 Y321	E275-V296 HydrophobicContact CB-CG2 4.39Å; E275-V296 HydrophobicContact CG-CG2 4.49Å; E275-V296 PolarHBondContact O-N 3.13Å; N294-V296 PolarHBondContact O-N 3.31Å; V296-E320 HydrophobicContact CG1-CB 4.08Å; V296-E320 HydrophobicContact CG1-CG 4.08Å; V296-E320 PolarHBondContact O-N 3.3Å; V296-Y321 PolarHBondContact O-N 2.88Å
297	L	98.8	Very high	97.4	Very high	18 Å²	18	36 Å²	36	9%	0.094	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125.8	-177.9	171.5	54.5	0	0	0	110.5	E275 Y276 L277 Y321 L323	E275-L297 PolarHBondContact O-N 3.45Å; E275-L297 VanDerWaalsContact O-N 3.1Å; Y276-L297 HydrophobicContact CD2-CB 4.17Å; Y276-L297 HydrophobicContact CD2-CD2 3.65Å; Y276-L297 HydrophobicContact CD2-CG 3.91Å; Y276-L297 HydrophobicContact CE2-CD2 3.47Å; Y276-L297 VanDerWaalsContact CE2-CD2 3.47Å; Y276-L297 HydrophobicContact CE2-CG 3.91Å; L277-L297 PolarHBondContact N-O 3Å; L277-L297 VanDerWaalsContact N-O 3.16Å; L297-Y321 HydrophobicContact CD1-CG 4.33Å; L297-L323 HydrophobicContact CD1-CD1 3.98Å; L297-L323 HydrophobicContact CD1-CG 4.22Å
298	L	98.8	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	114.8	177.5	-179.3	51.8	0	0	0	110.6	L277 L291 L295 L300 L313 I319 Y321 L322 L323	L277-L298 HydrophobicContact CB-CD1 4.1Å; L277-L298 HydrophobicContact CD2-CD1 4.01Å; L277-L298 HydrophobicContact CG-CD1 4.02Å; L291-L298 HydrophobicContact CD1-CD2 3.71Å; L291-L298 HydrophobicContact CD2-CD2 4.41Å; L295-L298 HydrophobicContact CD2-CB 3.76Å; L295-L298 HydrophobicContact CD2-CD1 4.09Å; L295-L298 HydrophobicContact CD2-CD2 4.01Å; L295-L298 HydrophobicContact CD2-CG 4.16Å; L298-L300 HydrophobicContact CD1-CD1 4.35Å; L298-L300 HydrophobicContact CD1-CD2 4.49Å; L298-L300 HydrophobicContact CD1-CG 4.04Å; L298-L300 HydrophobicContact CD2-CD1 3.74Å; L298-L300 HydrophobicContact CD2-CG 4.32Å; L298-L300 HydrophobicContact CG-CD1 3.87Å; L298-L300 HydrophobicContact CG-CG 3.93Å; L298-L313 HydrophobicContact CD2-CD2 4.41Å; L298-I319 HydrophobicContact CB-CD1 3.74Å; L298-I319 HydrophobicContact CD2-CD1 4.39Å; L298-Y321 PolarHBondContact N-O 3.15Å; L298-L322 HydrophobicContact CB-CD1 4.11Å; L298-L322 HydrophobicContact CD2-CD1 3.93Å; L298-L322 HydrophobicContact CG-CD1 4.12Å; L298-L323 PolarHBondContact O-N 3.36Å
299	H	98.9	Very high	97.4	Very high	22 Å²	22	37.2 Å²	37.2	10%	0.102	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.8	170.6	-68.1	-107.9	0	0	0	110.5	Y276 L277 D278 L279 S280 E301 L323	Y276-H299 AromaticContact CE2-CD2 3.77Å; Y276-H299 AromaticContact CE2-NE2 3.61Å; Y276-H299 AromaticContact CZ-CD2 3.75Å; Y276-H299 AromaticContact CZ-NE2 3.8Å; Y276-H299 PolarHBondContact OH-CD2 2.82Å; Y276-H299 PolarHBondContact OH-NE2 3.09Å; L277-H299 PolarHBondContact O-N 3.09Å; D278-H299 HydrophobicContact CB-CB 4.15Å; D278-H299 WeakPolarHBondContact OD1-CB 3.26Å; D278-H299 IonicContact OD1-CG 2.71Å; L279-H299 CarbonylContact C-O 3.44Å; L279-H299 PolarHBondContact N-O 2.84Å; S280-H299 PolarHBondContact N-O 3.48Å; H299-E301 VanDerWaalsContact CA-OE2 3.31Å; H299-E301 WeakPolarHBondContact CA-OE2 3.48Å; H299-E301 VanDerWaalsContact CB-OE2 3.28Å; H299-E301 WeakPolarHBondContact CB-OE2 3.36Å; H299-E301 IonicContact CE1-OE1 2.76Å; H299-E301 IonicContact CG-OE1 2.7Å; H299-E301 IonicContact CG-OE2 3.73Å; H299-E301 IonicContact ND1-OE1 2.85Å; H299-E301 PolarHBondContact ND1-OE1 3.2Å; H299-E301 IonicContact ND1-OE2 3.18Å; H299-E301 PolarHBondContact ND1-OE2 3.12Å; H299-L323 WeakPolarHBondContact CE1-CD1 3.49Å; H299-L323 WeakPolarHBondContact ND1-CD1 3.21Å
300	L	98.9	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.			trans	-134	7	176.1	-74.3	168.8	0	0	0	111.4	L279 L284 V287 L298 N303 I305 L322 L323 L324 N327	L279-L300 HydrophobicContact CB-CD2 3.93Å; L279-L300 HydrophobicContact CD1-CD2 4.1Å; L284-L300 HydrophobicContact CD1-CD2 3.85Å; V287-L300 HydrophobicContact CG1-CD1 4Å; V287-L300 HydrophobicContact CG2-CD1 4.2Å; L298-L300 HydrophobicContact CD1-CD1 4.35Å; L298-L300 HydrophobicContact CD1-CD2 4.49Å; L298-L300 HydrophobicContact CD1-CG 4.04Å; L298-L300 HydrophobicContact CD2-CD1 3.74Å; L298-L300 HydrophobicContact CD2-CG 4.32Å; L298-L300 HydrophobicContact CG-CD1 3.87Å; L298-L300 HydrophobicContact CG-CG 3.93Å; L300-N303 PolarHBondContact O-ND2 2.9Å; L300-N303 VanDerWaalsContact O-ND2 3.09Å; L300-I305 HydrophobicContact CB-CD1 3.93Å; L300-I305 HydrophobicContact CD2-CD1 4.19Å; L300-I305 HydrophobicContact CG-CD1 4.45Å; L300-L322 HydrophobicContact CD1-CD1 4.45Å; L300-L323 CarbonylContact C-O 3.49Å; L300-L323 WeakPolarHBondContact CA-O 3.36Å; L300-L323 WeakPolarHBondContact CB-O 3.49Å; L300-L323 PolarHBondContact N-O 3.45Å; L300-L324 HydrophobicContact CB-CD2 3.83Å; L300-L324 HydrophobicContact CD1-CD2 3.81Å; L300-N327 PolarHBondContact O-ND2 3.38Å
301	E	98.8	Very high	97.4	Very high	21 Å²	21	37.7 Å²	37.7	10%	0.098	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	160.8	180	69.8	-84.3	-164	0	0	112.9	S280 N281 H299 N303 L323 H325	S280-E301 CarbonylContact C-O 2.96Å; S280-E301 WeakPolarHBondContact CA-O 3.44Å; S280-E301 VanDerWaalsContact CB-CD 3.43Å; S280-E301 WeakPolarHBondContact CB-O 3.31Å; S280-E301 WeakPolarHBondContact CB-OE1 3.28Å; N281-E301 PolarHBondContact N-O 3.02Å; H299-E301 VanDerWaalsContact CA-OE2 3.31Å; H299-E301 WeakPolarHBondContact CA-OE2 3.48Å; H299-E301 VanDerWaalsContact CB-OE2 3.28Å; H299-E301 WeakPolarHBondContact CB-OE2 3.36Å; H299-E301 IonicContact CE1-OE1 2.76Å; H299-E301 IonicContact CG-OE1 2.7Å; H299-E301 IonicContact CG-OE2 3.73Å; H299-E301 IonicContact ND1-OE1 2.85Å; H299-E301 PolarHBondContact ND1-OE1 3.2Å; H299-E301 IonicContact ND1-OE2 3.18Å; H299-E301 PolarHBondContact ND1-OE2 3.12Å; E301-N303 PolarHBondContact O-N 2.84Å; E301-N303 PolarHBondContact O-ND2 3.29Å; E301-L323 PolarHBondContact N-O 3.06Å; E301-L323 WeakPolarHBondContact OE2-CB 3.37Å; E301-H325 WeakPolarHBondContact CA-O 3.39Å; E301-H325 WeakPolarHBondContact CB-CE1 3.38Å; E301-H325 WeakPolarHBondContact CB-O 3.4Å; E301-H325 VanDerWaalsContact CG-CE1 3.49Å; E301-H325 WeakPolarHBondContact CG-CE1 3.49Å
302	K	98.7	Very high	97.4	Very high	116 Å²	116	37.5 Å²	37.5	50%	0.504	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	30	177.8	-57.9	178.9	179.2	175.2	0	113.8	N281 H325 N326	N281-K302 WeakPolarHBondContact CA-O 3.47Å; N281-K302 HydrophobicContact CB-CB 4.09Å; N281-K302 HydrophobicContact CB-CD 4.48Å; K302-H325 PolarHBondContact N-O 3.12Å; K302-N326 WeakPolarHBondContact CA-O 3.17Å; K302-N326 HydrophobicContact CG-CB 3.91Å; K302-N326 PolarHBondContact N-O 3.27Å
303	N	98.8	Very high	97.4	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.064	18%	0.182	C	C	.	.	S	Bend	trans	-100.9	-168.4	171.3	-83.9	-86.9	0	0	0	110.7	L279 N282 N283 L284 L300 E301 I305 N327	L279-N303 PolarHBondContact O-ND2 3.39Å; N282-N303 VanDerWaalsContact CA-OD1 3.27Å; N282-N303 WeakPolarHBondContact CA-OD1 3.25Å; N282-N303 WeakPolarHBondContact CB-OD1 3.42Å; N282-N303 PolarHBondContact N-OD1 3.48Å; N282-N303 PolarHBondContact O-OD1 2.82Å; N282-N303 VanDerWaalsContact O-OD1 3.06Å; N283-N303 PolarHBondContact N-OD1 2.64Å; L284-N303 HydrophobicContact CB-CB 4.19Å; L284-N303 VanDerWaalsContact CB-OD1 3.32Å; L284-N303 WeakPolarHBondContact CB-OD1 3.21Å; L284-N303 WeakPolarHBondContact CG-OD1 3.39Å; L284-N303 PolarHBondContact N-OD1 2.85Å; L300-N303 PolarHBondContact O-ND2 2.9Å; L300-N303 VanDerWaalsContact O-ND2 3.09Å; E301-N303 PolarHBondContact O-N 2.84Å; E301-N303 PolarHBondContact O-ND2 3.29Å; N303-I305 HydrophobicContact CB-CD1 4.06Å; N303-I305 HydrophobicContact CB-CG1 3.83Å; N303-N327 VanDerWaalsContact CA-OD1 3.3Å; N303-N327 WeakPolarHBondContact CA-OD1 3.17Å; N303-N327 WeakPolarHBondContact CB-OD1 3.47Å; N303-N327 PolarHBondContact N-OD1 3.01Å; N303-N327 PolarHBondContact O-OD1 3.15Å
304	A	98.4	Very high	97.2	Very high	10 Å²	10	34.9 Å²	34.9	8%	0.083	18%	0.179	C	C	.	.			trans	-106	25.8	173.3	0	0	0	0	0	112.6	L284 R306 K328	L284-A304 CarbonylContact O-C 3.05Å; L284-A304 WeakPolarHBondContact O-CA 3.2Å; L284-A304 PolarHBondContact O-N 2.97Å; A304-R306 WeakPolarHBondContact O-CG 3.2Å; A304-R306 PolarHBondContact O-N 3.03Å; A304-K328 HydrophobicContact CB-CD 4.49Å
305	I	98.8	Very high	96.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.			trans	-65.2	124.8	-168.8	-60.8	170.1	0	0	0	110.3	L284 S285 V287 L300 N303 S307 L324 N327 K328 L329	L284-I305 HydrophobicContact CB-CD1 4.5Å; L284-I305 HydrophobicContact CB-CG1 4.11Å; L284-I305 WeakPolarHBondContact O-CG1 3.16Å; L284-I305 PolarHBondContact O-N 3.26Å; S285-I305 CarbonylContact O-C 3.45Å; S285-I305 WeakPolarHBondContact O-CA 3.1Å; V287-I305 HydrophobicContact CG2-CD1 4.39Å; V287-I305 HydrophobicContact CG2-CG2 4.07Å; L300-I305 HydrophobicContact CB-CD1 3.93Å; L300-I305 HydrophobicContact CD2-CD1 4.19Å; L300-I305 HydrophobicContact CG-CD1 4.45Å; N303-I305 HydrophobicContact CB-CD1 4.06Å; N303-I305 HydrophobicContact CB-CG1 3.83Å; I305-S307 WeakPolarHBondContact CG2-O 3.3Å; I305-L324 HydrophobicContact CD1-CD2 4.25Å; I305-N327 HydrophobicContact CB-CB 4.25Å; I305-N327 VanDerWaalsContact CB-OD1 3.26Å; I305-N327 WeakPolarHBondContact CB-OD1 3.43Å; I305-N327 WeakPolarHBondContact CG1-OD1 3.48Å; I305-N327 PolarHBondContact N-OD1 3.43Å; I305-K328 CarbonylContact O-C 3.06Å; I305-K328 VanDerWaalsContact O-CA 3.27Å; I305-K328 WeakPolarHBondContact O-CA 3.37Å; I305-K328 PolarHBondContact O-N 3.3Å; I305-L329 HydrophobicContact CG2-CD2 3.8Å; I305-L329 HydrophobicContact CG2-CG 4.32Å; I305-L329 PolarHBondContact O-N 3.08Å
306	R	98.3	Very high	96.8	Very high	158 Å²	158	33.4 Å²	33.4	60%	0.596	17%	0.174	S	C	*	.			trans	-107.5	-24.9	-178	-54.9	-175	-173.7	-166	2.4	112.9	S285 A304 K328 S333	S285-R306 PolarHBondContact O-N 2.83Å; A304-R306 WeakPolarHBondContact O-CG 3.2Å; A304-R306 PolarHBondContact O-N 3.03Å; R306-K328 HydrophobicContact CG-CB 4.15Å; R306-S333 WeakPolarHBondContact O-CB 3.15Å
307	S	97.5	Very high	96.5	Very high	34 Å²	34	38 Å²	38	24%	0.238	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-143.8	155.3	-176.3	59.1	0	0	0	0	113.3	V287 I305 S333	V287-S307 PolarHBondContact N-O 3.05Å; I305-S307 WeakPolarHBondContact CG2-O 3.3Å; S307-S333 WeakPolarHBondContact CA-O 3.49Å; S307-S333 WeakPolarHBondContact CB-O 3.37Å
308	I	97.9	Very high	96.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-122.2	104	170.7	-46.9	179.5	0	0	0	107.4	V287 L313 L324 L329 S333 I334 H335 A338 F339	V287-I308 HydrophobicContact CB-CG2 4.31Å; V287-I308 HydrophobicContact CG2-CB 4.31Å; V287-I308 HydrophobicContact CG2-CD1 4.48Å; V287-I308 HydrophobicContact CG2-CG1 3.84Å; V287-I308 HydrophobicContact CG2-CG2 4.02Å; I308-L313 HydrophobicContact CG2-CD1 4.07Å; I308-L324 HydrophobicContact CD1-CD1 3.69Å; I308-L329 HydrophobicContact CD1-CD1 4.14Å; I308-L329 HydrophobicContact CD1-CD2 4.17Å; I308-L329 HydrophobicContact CG1-CD2 3.68Å; I308-S333 PolarHBondContact N-O 2.73Å; I308-I334 HydrophobicContact CB-CG2 4.46Å; I308-I334 HydrophobicContact CD1-CD1 4.32Å; I308-I334 HydrophobicContact CD1-CG1 4.08Å; I308-I334 HydrophobicContact CD1-CG2 4.39Å; I308-I334 HydrophobicContact CG1-CG1 4.17Å; I308-H335 WeakPolarHBondContact O-CB 3.27Å; I308-H335 PolarHBondContact O-N 3.2Å; I308-A338 HydrophobicContact CB-CB 4.14Å; I308-A338 HydrophobicContact CG2-CB 3.71Å; I308-F339 HydrophobicContact CD1-CE1 4.05Å; I308-F339 HydrophobicContact CD1-CZ 3.76Å
309	P	96.1	Very high	96.3	Very high	32 Å²	32	39 Å²	39	21%	0.208	19%	0.192	C	C	.	.			trans	-61.2	157.2	175.7	-23	34.4	0	0	0	112.1	V286 D311 A312	V286-P309 VanDerWaalsContact CG1-CD 3.44Å; V286-P309 HydrophobicContact CG1-CG 3.44Å; V286-P309 VanDerWaalsContact CG1-CG 3.44Å; P309-D311 VanDerWaalsContact C-N 3.26Å; P309-D311 VanDerWaalsContact CB-OD1 3.28Å; P309-D311 WeakPolarHBondContact CB-OD1 3.35Å; P309-D311 PolarHBondContact O-N 3.22Å; P309-A312 HydrophobicContact CB-CB 4.21Å; P309-A312 HydrophobicContact CG-CB 4.33Å
310	G	94.6	Very high	96.3	Very high	21 Å²	21	41.1 Å²	41.1	22%	0.216	20%	0.202	C	C	.	.	S	Bend	trans	-69.1	-22	-178.2	0	0	0	0	0	114.7	H335	G310-H335 WeakPolarHBondContact CA-ND1 3.49Å
311	D	93.1	Very high	96.3	Very high	75 Å²	75	42.6 Å²	42.6	40%	0.401	21%	0.208	S	C	.	.	S	Bend	trans	-101.3	-14.1	-176.9	59.3	-21.6	0	0	0	113.6	K289 P309 L313 I314	K289-D311 WeakPolarHBondContact CE-OD1 3.23Å; K289-D311 VanDerWaalsContact CE-OD2 3.29Å; K289-D311 WeakPolarHBondContact CE-OD2 3.25Å; K289-D311 IonicContact NZ-OD1 3.38Å; K289-D311 IonicContact NZ-OD2 3.51Å; K289-D311 PolarHBondContact NZ-OD2 2.91Å; P309-D311 VanDerWaalsContact C-N 3.26Å; P309-D311 VanDerWaalsContact CB-OD1 3.28Å; P309-D311 WeakPolarHBondContact CB-OD1 3.35Å; P309-D311 PolarHBondContact O-N 3.22Å; D311-L313 VanDerWaalsContact C-N 3.34Å; D311-L313 PolarHBondContact O-N 3.21Å; D311-I314 VanDerWaalsContact O-CG2 3.25Å; D311-I314 WeakPolarHBondContact O-CG2 3.32Å; D311-I314 PolarHBondContact O-N 3.49Å
312	A	94.9	Very high	96.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-37.6	-173.1	0	0	0	0	0	113.9	V287 P309	V287-A312 HydrophobicContact CB-CB 4.27Å; V287-A312 HydrophobicContact CG1-CB 4.05Å; P309-A312 HydrophobicContact CB-CB 4.21Å; P309-A312 HydrophobicContact CG-CB 4.33Å
313	L	95.7	Very high	96.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	13.4	-176.3	-58.4	172.7	0	0	0	113.3	V287 L291 L298 I308 D311 S315 V316 L322 A338 F339 L342	V287-L313 HydrophobicContact CG1-CD2 3.89Å; V287-L313 HydrophobicContact CG1-CG 4.3Å; L291-L313 HydrophobicContact CD1-CD2 3.72Å; L298-L313 HydrophobicContact CD2-CD2 4.41Å; I308-L313 HydrophobicContact CG2-CD1 4.07Å; D311-L313 VanDerWaalsContact C-N 3.34Å; D311-L313 PolarHBondContact O-N 3.21Å; L313-S315 VanDerWaalsContact C-N 3.29Å; L313-S315 PolarHBondContact O-N 3.22Å; L313-V316 HydrophobicContact CB-CG2 3.84Å; L313-V316 HydrophobicContact CD2-CG2 3.97Å; L313-V316 WeakPolarHBondContact O-CG2 3.26Å; L313-L322 HydrophobicContact CD1-CD2 3.84Å; L313-A338 WeakPolarHBondContact CB-O 3.4Å; L313-F339 HydrophobicContact CD1-CD1 4.07Å; L313-F339 HydrophobicContact CD1-CE1 4.19Å; L313-L342 HydrophobicContact CB-CD2 4.29Å; L313-L342 HydrophobicContact CD1-CD1 4.32Å
314	I	91.1	Very high	96.3	Very high	102 Å²	102	36.1 Å²	36.1	52%	0.523	18%	0.179	S	C	.	.	S	Bend	trans	-68.7	-28	-172.3	-160.4	167.7	0	0	0	113.3	D311	D311-I314 VanDerWaalsContact O-CG2 3.25Å; D311-I314 WeakPolarHBondContact O-CG2 3.32Å; D311-I314 PolarHBondContact O-N 3.49Å
315	S	91.1	Very high	96.3	Very high	37 Å²	37	36.4 Å²	36.4	26%	0.259	18%	0.179	S	C	.	.	S	Bend	trans	-83.3	-34	-176.9	51.5	0	0	0	0	113.3	L291 R293 L313 R317	L291-S315 WeakPolarHBondContact O-CB 3.23Å; L291-S315 PolarHBondContact O-OG 3.37Å; R293-S315 WeakPolarHBondContact CA-O 3.32Å; L313-S315 VanDerWaalsContact C-N 3.29Å; L313-S315 PolarHBondContact O-N 3.22Å; S315-R317 VanDerWaalsContact C-N 3.26Å; S315-R317 PolarHBondContact O-N 2.89Å
316	V	94.6	Very high	96.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.			trans	-75.2	66.5	-173.4	-70.2	0	0	0	0	112.7	L291 P292 L295 L313 N318 I319 L342	L291-V316 HydrophobicContact CB-CG1 3.45Å; L291-V316 VanDerWaalsContact CB-CG1 3.45Å; L291-V316 HydrophobicContact CD1-CG1 4.39Å; P292-V316 VanDerWaalsContact O-CG1 3.27Å; P292-V316 WeakPolarHBondContact O-CG1 3.49Å; L295-V316 HydrophobicContact CB-CG1 4.14Å; L295-V316 HydrophobicContact CD2-CG1 4.13Å; L313-V316 HydrophobicContact CB-CG2 3.84Å; L313-V316 HydrophobicContact CD2-CG2 3.97Å; L313-V316 WeakPolarHBondContact O-CG2 3.26Å; V316-N318 VanDerWaalsContact C-N 3.31Å; V316-N318 PolarHBondContact O-N 3.19Å; V316-I319 HydrophobicContact CB-CB 4.37Å; V316-I319 HydrophobicContact CB-CG2 4.44Å; V316-I319 HydrophobicContact CG2-CG2 4.34Å; V316-I319 VanDerWaalsContact O-CG2 3.28Å; V316-I319 WeakPolarHBondContact O-CG2 3.25Å; V316-L342 HydrophobicContact CG2-CD2 3.87Å; V316-L342 WeakPolarHBondContact O-CD2 3.21Å
317	R	92.2	Very high	96.3	Very high	137 Å²	137	31.8 Å²	31.8	52%	0.517	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-18.6	-174.7	-65.4	-178.9	-176.8	-177.8	3	114	S315	S315-R317 VanDerWaalsContact C-N 3.26Å; S315-R317 PolarHBondContact O-N 2.89Å
318	N	96.5	Very high	96.4	Very high	39 Å²	39	35 Å²	35	21%	0.209	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-2	-179.1	-77.2	-24.8	0	0	0	114.2	N294 L295 V316 E320 K344	N294-N318 PolarHBondContact OD1-ND2 2.98Å; L295-N318 CarbonylContact O-C 3.51Å; V316-N318 VanDerWaalsContact C-N 3.31Å; V316-N318 PolarHBondContact O-N 3.19Å; N318-E320 PolarHBondContact O-N 3Å; N318-K344 WeakPolarHBondContact OD1-CE 3.43Å; N318-K344 PolarHBondContact OD1-NZ 3.34Å
319	I	97.8	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.			trans	-63	132.4	-175.2	-164.2	169.1	0	0	0	111.6	L295 L298 V316 L322 L342 K344 L345	L295-I319 WeakPolarHBondContact O-CA 3.33Å; L295-I319 PolarHBondContact O-N 2.95Å; L298-I319 HydrophobicContact CB-CD1 3.74Å; L298-I319 HydrophobicContact CD2-CD1 4.39Å; V316-I319 HydrophobicContact CB-CB 4.37Å; V316-I319 HydrophobicContact CB-CG2 4.44Å; V316-I319 HydrophobicContact CG2-CG2 4.34Å; V316-I319 VanDerWaalsContact O-CG2 3.28Å; V316-I319 WeakPolarHBondContact O-CG2 3.25Å; I319-L322 HydrophobicContact CD1-CB 3.99Å; I319-L322 HydrophobicContact CD1-CD1 4.08Å; I319-L322 HydrophobicContact CD1-CG 4.49Å; I319-L342 HydrophobicContact CG2-CB 4.3Å; I319-L342 HydrophobicContact CG2-CD1 4.26Å; I319-L342 HydrophobicContact CG2-CD2 3.73Å; I319-L342 HydrophobicContact CG2-CG 4.3Å; I319-K344 CarbonylContact O-C 3.39Å; I319-K344 VanDerWaalsContact O-C 3.23Å; I319-L345 HydrophobicContact CG1-CD1 4.17Å; I319-L345 HydrophobicContact CG2-CD1 3.9Å; I319-L345 VanDerWaalsContact O-CA 3.25Å; I319-L345 WeakPolarHBondContact O-CA 3.21Å; I319-L345 PolarHBondContact O-N 3.39Å; I319-L345 VanDerWaalsContact O-N 3.07Å
320	E	98.5	Very high	96.5	Very high	67 Å²	67	38.2 Å²	38.2	31%	0.313	18%	0.184	S	C	.	.			trans	-110.6	-33.7	177.9	-63.7	-168.6	-175.3	0	0	111.1	V296 N318 K344 H346 T347	V296-E320 HydrophobicContact CG1-CB 4.08Å; V296-E320 HydrophobicContact CG1-CG 4.08Å; V296-E320 PolarHBondContact O-N 3.3Å; N318-E320 PolarHBondContact O-N 3Å; E320-K344 HydrophobicContact CG-CB 4.32Å; E320-H346 HydrophobicContact CB-CB 4.44Å; E320-H346 WeakPolarHBondContact O-CA 3.25Å; E320-H346 WeakPolarHBondContact O-CB 3.25Å; E320-H346 PolarHBondContact O-N 2.91Å; E320-T347 PolarHBondContact O-N 3.29Å
321	Y	98.8	Very high	96.6	Very high	31 Å²	31	38.2 Å²	38.2	12%	0.122	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	119.7	-176.7	-59.6	-93.2	0	0	0	110.4	V14 V296 L297 L298 H346 T347	V14-Y321 HydrophobicContact CB-CE2 4.4Å; V14-Y321 HydrophobicContact CG1-CD2 4.09Å; V14-Y321 HydrophobicContact CG1-CE1 4.38Å; V14-Y321 HydrophobicContact CG1-CE2 3.49Å; V14-Y321 VanDerWaalsContact CG1-CE2 3.49Å; V296-Y321 PolarHBondContact O-N 2.88Å; L297-Y321 HydrophobicContact CD1-CG 4.33Å; L298-Y321 PolarHBondContact N-O 3.15Å; Y321-H346 AromaticContact CE1-CD2 3.83Å; Y321-T347 HydrophobicContact CD1-CG2 4.44Å
322	L	98.8	Very high	96.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	112.1	177.4	178.3	57.4	0	0	0	109.7	L298 L300 L313 I319 L324 F339 L342 L345 T347 L348 H349	L298-L322 HydrophobicContact CB-CD1 4.11Å; L298-L322 HydrophobicContact CD2-CD1 3.93Å; L298-L322 HydrophobicContact CG-CD1 4.12Å; L300-L322 HydrophobicContact CD1-CD1 4.45Å; L313-L322 HydrophobicContact CD1-CD2 3.84Å; I319-L322 HydrophobicContact CD1-CB 3.99Å; I319-L322 HydrophobicContact CD1-CD1 4.08Å; I319-L322 HydrophobicContact CD1-CG 4.49Å; L322-L324 HydrophobicContact CD1-CD1 4.14Å; L322-L324 HydrophobicContact CD1-CG 4.12Å; L322-L324 HydrophobicContact CD2-CD1 3.83Å; L322-L324 HydrophobicContact CG-CD1 3.8Å; L322-L324 HydrophobicContact CG-CG 4.13Å; L322-F339 HydrophobicContact CD2-CD1 4.32Å; L322-F339 HydrophobicContact CD2-CE1 4.06Å; L322-L342 HydrophobicContact CD2-CD1 4.24Å; L322-L345 HydrophobicContact CB-CD1 3.74Å; L322-T347 PolarHBondContact N-O 2.86Å; L322-T347 VanDerWaalsContact N-O 3.09Å; L322-L348 HydrophobicContact CB-CD1 4.05Å; L322-L348 HydrophobicContact CD2-CD1 3.92Å; L322-L348 HydrophobicContact CG-CD1 3.95Å; L322-H349 PolarHBondContact O-N 2.6Å
323	L	98.9	Very high	96.8	Very high	13 Å²	13	45.7 Å²	45.7	7%	0.068	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	106.1	-174.2	-49.7	-179.1	0	0	0	109.7	L297 L298 H299 L300 E301 H349	L297-L323 HydrophobicContact CD1-CD1 3.98Å; L297-L323 HydrophobicContact CD1-CG 4.22Å; L298-L323 PolarHBondContact O-N 3.36Å; H299-L323 WeakPolarHBondContact CE1-CD1 3.49Å; H299-L323 WeakPolarHBondContact ND1-CD1 3.21Å; L300-L323 CarbonylContact C-O 3.49Å; L300-L323 WeakPolarHBondContact CA-O 3.36Å; L300-L323 WeakPolarHBondContact CB-O 3.49Å; L300-L323 PolarHBondContact N-O 3.45Å; E301-L323 PolarHBondContact N-O 3.06Å; E301-L323 WeakPolarHBondContact OE2-CB 3.37Å; L323-H349 HydrophobicContact CD2-CB 3.94Å; L323-H349 WeakPolarHBondContact CD2-ND1 3.43Å
324	L	98.7	Very high	96.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.212	C	C	.	.			trans	-122.3	12.6	-175.7	-78.1	163.9	0	0	0	112.2	V287 L300 I305 I308 L322 N327 L329 F339 L348 H349 L350 N353	V287-L324 HydrophobicContact CG2-CD2 3.98Å; L300-L324 HydrophobicContact CB-CD2 3.83Å; L300-L324 HydrophobicContact CD1-CD2 3.81Å; I305-L324 HydrophobicContact CD1-CD2 4.25Å; I308-L324 HydrophobicContact CD1-CD1 3.69Å; L322-L324 HydrophobicContact CD1-CD1 4.14Å; L322-L324 HydrophobicContact CD1-CG 4.12Å; L322-L324 HydrophobicContact CD2-CD1 3.83Å; L322-L324 HydrophobicContact CG-CD1 3.8Å; L322-L324 HydrophobicContact CG-CG 4.13Å; L324-N327 PolarHBondContact O-ND2 3.32Å; L324-N327 VanDerWaalsContact O-ND2 3.14Å; L324-L329 HydrophobicContact CB-CD1 4.13Å; L324-L329 HydrophobicContact CD2-CD1 4.45Å; L324-F339 HydrophobicContact CD1-CE1 4.47Å; L324-L348 HydrophobicContact CD1-CD1 4.39Å; L324-H349 CarbonylContact C-O 3.39Å; L324-H349 WeakPolarHBondContact CA-O 3.13Å; L324-H349 WeakPolarHBondContact CB-O 3.3Å; L324-H349 PolarHBondContact N-O 2.9Å; L324-L350 HydrophobicContact CB-CD2 3.83Å; L324-L350 HydrophobicContact CD1-CD2 4.03Å; L324-N353 PolarHBondContact O-ND2 3.18Å
325	H	98.8	Very high	97.1	Very high	16 Å²	16	45.5 Å²	45.5	7%	0.074	21%	0.207	C	C	.	.			trans	-70.7	166.3	-177	62.9	90.8	0	0	0	112.7	E301 K302 N327 H349 Y351	E301-H325 WeakPolarHBondContact CA-O 3.39Å; E301-H325 WeakPolarHBondContact CB-CE1 3.38Å; E301-H325 WeakPolarHBondContact CB-O 3.4Å; E301-H325 VanDerWaalsContact CG-CE1 3.49Å; E301-H325 WeakPolarHBondContact CG-CE1 3.49Å; K302-H325 PolarHBondContact N-O 3.12Å; H325-N327 VanDerWaalsContact C-N 3.32Å; H325-N327 PolarHBondContact O-N 3Å; H325-N327 PolarHBondContact O-ND2 2.89Å; H325-N327 VanDerWaalsContact O-ND2 3.16Å; H325-H349 HydrophobicContact CB-CB 4.4Å; H325-H349 PolarHBondContact N-O 2.96Å; H325-Y351 CarbonylContact C-O 3.48Å; H325-Y351 WeakPolarHBondContact CA-O 3.23Å; H325-Y351 HydrophobicContact CB-CD1 3.46Å; H325-Y351 VanDerWaalsContact CB-CD1 3.46Å; H325-Y351 HydrophobicContact CB-CD2 3.55Å; H325-Y351 HydrophobicContact CB-CE1 3.51Å; H325-Y351 HydrophobicContact CB-CE2 3.59Å; H325-Y351 HydrophobicContact CB-CG 3.47Å; H325-Y351 VanDerWaalsContact CB-CG 3.47Å; H325-Y351 WeakPolarHBondContact CB-O 3.43Å; H325-Y351 AromaticContact CD2-CE1 3.54Å; H325-Y351 AromaticContact CD2-CZ 3.58Å; H325-Y351 AromaticContact CE1-CZ 3.6Å; H325-Y351 PolarHBondContact CE1-OH 3.26Å; H325-Y351 AromaticContact CG-CD1 3.95Å; H325-Y351 AromaticContact CG-CE1 3.42Å; H325-Y351 VanDerWaalsContact CG-CE1 3.42Å; H325-Y351 AromaticContact CG-CE2 3.57Å; H325-Y351 AromaticContact CG-CZ 3.2Å; H325-Y351 AromaticContact ND1-CE1 3.95Å; H325-Y351 AromaticContact ND1-CE2 3.4Å; H325-Y351 WeakPolarHBondContact ND1-CE2 3.23Å; H325-Y351 AromaticContact ND1-CZ 3.22Å; H325-Y351 PolarHBondContact ND1-OH 3.37Å; H325-Y351 VanDerWaalsContact ND1-OH 3.15Å; H325-Y351 AromaticContact NE2-CZ 3.8Å; H325-Y351 PolarHBondContact NE2-OH 3.37Å
326	N	98.8	Very high	97.2	Very high	51 Å²	51	47.4 Å²	47.4	27%	0.273	22%	0.218	S	C	.	.	S	Bend	trans	55.4	46.3	-180	-62.9	55.3	0	0	0	112.2	K302 Y351 N352	K302-N326 WeakPolarHBondContact CA-O 3.17Å; K302-N326 HydrophobicContact CG-CB 3.91Å; K302-N326 PolarHBondContact N-O 3.27Å; N326-Y351 PolarHBondContact N-O 3.18Å; N326-Y351 WeakPolarHBondContact OD1-CE2 3.32Å; N326-N352 WeakPolarHBondContact CA-O 3.48Å; N326-N352 VanDerWaalsContact CG-ND2 3.29Å; N326-N352 PolarHBondContact N-O 2.8Å; N326-N352 PolarHBondContact ND2-ND2 2.85Å
327	N	98.8	Very high	97.2	Very high	10 Å²	10	52 Å²	52	5%	0.053	24%	0.241	C	C	.	.	S	Bend	trans	-124.7	-167.1	178.3	-90.1	-72.6	0	0	0	109.9	L300 N303 I305 L324 H325 L329 N352 N353	L300-N327 PolarHBondContact O-ND2 3.38Å; N303-N327 VanDerWaalsContact CA-OD1 3.3Å; N303-N327 WeakPolarHBondContact CA-OD1 3.17Å; N303-N327 WeakPolarHBondContact CB-OD1 3.47Å; N303-N327 PolarHBondContact N-OD1 3.01Å; N303-N327 PolarHBondContact O-OD1 3.15Å; I305-N327 HydrophobicContact CB-CB 4.25Å; I305-N327 VanDerWaalsContact CB-OD1 3.26Å; I305-N327 WeakPolarHBondContact CB-OD1 3.43Å; I305-N327 WeakPolarHBondContact CG1-OD1 3.48Å; I305-N327 PolarHBondContact N-OD1 3.43Å; L324-N327 PolarHBondContact O-ND2 3.32Å; L324-N327 VanDerWaalsContact O-ND2 3.14Å; H325-N327 VanDerWaalsContact C-N 3.32Å; H325-N327 PolarHBondContact O-N 3Å; H325-N327 PolarHBondContact O-ND2 2.89Å; H325-N327 VanDerWaalsContact O-ND2 3.16Å; N327-L329 HydrophobicContact CB-CG 4.44Å; N327-N352 PolarHBondContact N-O 3.03Å; N327-N353 VanDerWaalsContact CA-OD1 3.29Å; N327-N353 WeakPolarHBondContact CA-OD1 3.49Å; N327-N353 WeakPolarHBondContact CB-OD1 3.17Å; N327-N353 PolarHBondContact N-OD1 3.08Å; N327-N353 PolarHBondContact O-OD1 3.3Å
328	K	98.6	Very high	97.3	Very high	103 Å²	103	45.5 Å²	45.5	45%	0.448	22%	0.217	S	C	.	.			trans	-115.5	27.1	-179.4	-61.5	-179.9	-177.8	173.7	0	111.6	A304 I305 R306 N353 L354	A304-K328 HydrophobicContact CB-CD 4.49Å; I305-K328 CarbonylContact O-C 3.06Å; I305-K328 VanDerWaalsContact O-CA 3.27Å; I305-K328 WeakPolarHBondContact O-CA 3.37Å; I305-K328 PolarHBondContact O-N 3.3Å; R306-K328 HydrophobicContact CG-CB 4.15Å; K328-N353 PolarHBondContact N-OD1 3.3Å; K328-L354 HydrophobicContact CB-CD1 4.24Å
329	L	98.4	Very high	97.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.208	C	C	.	.			trans	-66.7	133.6	-175.9	-72.1	167.6	0	0	0	110.9	I305 I308 L324 N327 I334 L350 N353 L354 L355	I305-L329 HydrophobicContact CG2-CD2 3.8Å; I305-L329 HydrophobicContact CG2-CG 4.32Å; I305-L329 PolarHBondContact O-N 3.08Å; I308-L329 HydrophobicContact CD1-CD1 4.14Å; I308-L329 HydrophobicContact CD1-CD2 4.17Å; I308-L329 HydrophobicContact CG1-CD2 3.68Å; L324-L329 HydrophobicContact CB-CD1 4.13Å; L324-L329 HydrophobicContact CD2-CD1 4.45Å; N327-L329 HydrophobicContact CB-CG 4.44Å; L329-I334 HydrophobicContact CD2-CG1 4.37Å; L329-L350 HydrophobicContact CD1-CD2 3.82Å; L329-N353 HydrophobicContact CB-CB 4.26Å; L329-N353 VanDerWaalsContact CB-OD1 3.26Å; L329-N353 WeakPolarHBondContact CB-OD1 3.29Å; L329-N353 PolarHBondContact N-OD1 3.12Å; L329-L354 CarbonylContact O-C 3.2Å; L329-L354 WeakPolarHBondContact O-CA 3.16Å; L329-L354 WeakPolarHBondContact O-CB 3.38Å; L329-L354 PolarHBondContact O-N 3.01Å; L329-L355 HydrophobicContact CB-CD2 4.16Å; L329-L355 PolarHBondContact O-N 3.1Å
330	R	97.8	Very high	96.8	Very high	99 Å²	99	49.2 Å²	49.2	37%	0.374	23%	0.232	S	C	.	.			trans	-111.4	149.1	169.3	-66.6	-175.2	-177.5	-158.6	4.7	109.9	R332 S333 L354 E356	R330-R332 VanDerWaalsContact C-N 3.27Å; R330-R332 HydrophobicContact CB-CG 4.29Å; R330-R332 PolarHBondContact O-N 3.03Å; R330-S333 PolarHBondContact O-N 2.57Å; R330-L354 HydrophobicContact CG-CB 3.81Å; R330-E356 WeakPolarHBondContact CD-OE1 3.49Å
331	S	96.1	Very high	96.2	Very high	22 Å²	22	47.4 Å²	47.4	15%	0.154	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-60.8	-37	-173.6	59.2	0	0	0	0	112.7	S333 I334 E356 R357	S331-S333 VanDerWaalsContact C-N 3.26Å; S331-S333 PolarHBondContact O-N 3.29Å; S331-I334 PolarHBondContact O-N 3.2Å; S331-E356 PolarHBondContact N-OE2 3.13Å; S331-E356 VanDerWaalsContact N-OE2 3.12Å; S331-E356 PolarHBondContact OG-OE2 3.34Å; S331-R357 WeakPolarHBondContact CB-O 3.23Å
332	R	95.4	Very high	96	Very high	188 Å²	188	46.1 Å²	46.1	71%	0.709	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-69.4	-17.2	175.9	67.4	-177	-177.7	178.7	1.3	115.1	R330	R330-R332 VanDerWaalsContact C-N 3.27Å; R330-R332 HydrophobicContact CB-CG 4.29Å; R330-R332 PolarHBondContact O-N 3.03Å
333	S	96.8	Very high	95.7	Very high	44 Å²	44	53.2 Å²	53.2	31%	0.308	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-99.9	2.4	-176.3	-63.5	0	0	0	0	112.4	R306 S307 I308 R330 S331	R306-S333 WeakPolarHBondContact O-CB 3.15Å; S307-S333 WeakPolarHBondContact CA-O 3.49Å; S307-S333 WeakPolarHBondContact CB-O 3.37Å; I308-S333 PolarHBondContact N-O 2.73Å; R330-S333 PolarHBondContact O-N 2.57Å; S331-S333 VanDerWaalsContact C-N 3.26Å; S331-S333 PolarHBondContact O-N 3.29Å
334	I	97.5	Very high	95.6	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.051	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-95.7	117.1	169	-61.8	173.9	0	0	0	107.2	I308 L329 S331 A338 F339 L355 P359	I308-I334 HydrophobicContact CB-CG2 4.46Å; I308-I334 HydrophobicContact CD1-CD1 4.32Å; I308-I334 HydrophobicContact CD1-CG1 4.08Å; I308-I334 HydrophobicContact CD1-CG2 4.39Å; I308-I334 HydrophobicContact CG1-CG1 4.17Å; L329-I334 HydrophobicContact CD2-CG1 4.37Å; S331-I334 PolarHBondContact O-N 3.2Å; I334-A338 HydrophobicContact CG2-CB 4.09Å; I334-F339 HydrophobicContact CG2-CD2 4.48Å; I334-F339 HydrophobicContact CG2-CE2 3.64Å; I334-F339 HydrophobicContact CG2-CZ 4.06Å; I334-L355 HydrophobicContact CD1-CD2 3.83Å; I334-P359 HydrophobicContact CD1-CB 4.05Å; I334-P359 HydrophobicContact CD1-CG 3.76Å; I334-P359 HydrophobicContact CG2-CB 4.46Å
335	H	97.1	Very high	95.5	Very high	88 Å²	88	57.7 Å²	57.7	41%	0.407	28%	0.277	S	S	.	.			trans	-63.6	140.6	178.9	-170.2	-93.6	0	0	0	110.5	I308 G310 M337 A338	I308-H335 WeakPolarHBondContact O-CB 3.27Å; I308-H335 PolarHBondContact O-N 3.2Å; G310-H335 WeakPolarHBondContact CA-ND1 3.49Å; H335-M337 PolarHBondContact ND1-N 2.74Å; H335-M337 VanDerWaalsContact ND1-N 3.18Å; H335-M337 PolarHBondContact O-N 3.48Å; H335-A338 HydrophobicContact CB-CB 4.24Å; H335-A338 WeakPolarHBondContact O-CB 3.48Å; H335-A338 PolarHBondContact O-N 2.94Å
336	P	93.1	Very high	95.4	Very high	78 Å²	78	59.3 Å²	59.3	51%	0.506	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.8	-178.1	-26.3	35.2	0	0	0	115.3	G361	P336-G361 WeakPolarHBondContact O-CA 3.19Å
337	M	93.6	Very high	95.4	Very high	96 Å²	96	57.4 Å²	57.4	47%	0.473	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	4.4	175.7	-57.7	173.1	70.4	0	0	113	H335 F339 Q340	H335-M337 PolarHBondContact ND1-N 2.74Å; H335-M337 VanDerWaalsContact ND1-N 3.18Å; H335-M337 PolarHBondContact O-N 3.48Å; M337-F339 VanDerWaalsContact C-N 3.27Å; M337-F339 PolarHBondContact O-N 2.92Å; M337-Q340 HydrophobicContact CB-CB 4.12Å; M337-Q340 VanDerWaalsContact CG-OE1 3.23Å; M337-Q340 WeakPolarHBondContact O-CB 3.26Å; M337-Q340 PolarHBondContact O-N 2.87Å
338	A	95.5	Very high	95.4	Very high	1 Å²	1	57 Å²	57	1%	0.008	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.2	-175	0	0	0	0	0	113.1	I308 L313 I334 H335	I308-A338 HydrophobicContact CB-CB 4.14Å; I308-A338 HydrophobicContact CG2-CB 3.71Å; L313-A338 WeakPolarHBondContact CB-O 3.4Å; I334-A338 HydrophobicContact CG2-CB 4.09Å; H335-A338 HydrophobicContact CB-CB 4.24Å; H335-A338 WeakPolarHBondContact O-CB 3.48Å; H335-A338 PolarHBondContact O-N 2.94Å
339	F	94.9	Very high	95.4	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.022	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	12	177.4	-48.6	-67.9	0	0	0	112.7	I308 L313 L322 L324 I334 M337 G341 L342 L348 L362 P363	I308-F339 HydrophobicContact CD1-CE1 4.05Å; I308-F339 HydrophobicContact CD1-CZ 3.76Å; L313-F339 HydrophobicContact CD1-CD1 4.07Å; L313-F339 HydrophobicContact CD1-CE1 4.19Å; L322-F339 HydrophobicContact CD2-CD1 4.32Å; L322-F339 HydrophobicContact CD2-CE1 4.06Å; L324-F339 HydrophobicContact CD1-CE1 4.47Å; I334-F339 HydrophobicContact CG2-CD2 4.48Å; I334-F339 HydrophobicContact CG2-CE2 3.64Å; I334-F339 HydrophobicContact CG2-CZ 4.06Å; M337-F339 VanDerWaalsContact C-N 3.27Å; M337-F339 PolarHBondContact O-N 2.92Å; F339-G341 PolarHBondContact O-N 2.84Å; F339-L342 HydrophobicContact CB-CD1 4.06Å; F339-L342 HydrophobicContact CB-CG 4.42Å; F339-L342 HydrophobicContact CD1-CD1 3.86Å; F339-L342 HydrophobicContact CG-CD1 4.47Å; F339-L342 PolarHBondContact O-N 3.5Å; F339-L348 HydrophobicContact CE1-CD1 4.45Å; F339-L348 HydrophobicContact CE1-CD2 4.38Å; F339-L348 HydrophobicContact CZ-CD2 4.38Å; F339-L362 HydrophobicContact CD2-CD2 4.46Å; F339-L362 HydrophobicContact CE2-CD2 4.23Å; F339-P363 HydrophobicContact CB-CB 4.42Å; F339-P363 HydrophobicContact CB-CG 4.44Å
340	Q	88.3	Confident	95.4	Very high	111 Å²	111	53.8 Å²	53.8	52%	0.519	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	116.9	179.5	-177.5	169.3	-15.7	0	0	109.8	M337	M337-Q340 HydrophobicContact CB-CB 4.12Å; M337-Q340 VanDerWaalsContact CG-OE1 3.23Å; M337-Q340 WeakPolarHBondContact O-CB 3.26Å; M337-Q340 PolarHBondContact O-N 2.87Å
341	G	85.9	Confident	95.5	Very high	29 Å²	29	52 Å²	52	30%	0.299	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.1	-8.7	178	0	0	0	0	0	114.5	F339 K343	F339-G341 PolarHBondContact O-N 2.84Å; G341-K343 PolarHBondContact O-N 2.96Å
342	L	94.9	Very high	95.6	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	27%	0.265	C	S	.	.			trans	-75	66.5	175.8	-48.6	-168.9	0	0	0	110.9	L313 V316 I319 L322 F339 K344 L345 P363	L313-L342 HydrophobicContact CB-CD2 4.29Å; L313-L342 HydrophobicContact CD1-CD1 4.32Å; V316-L342 HydrophobicContact CG2-CD2 3.87Å; V316-L342 WeakPolarHBondContact O-CD2 3.21Å; I319-L342 HydrophobicContact CG2-CB 4.3Å; I319-L342 HydrophobicContact CG2-CD1 4.26Å; I319-L342 HydrophobicContact CG2-CD2 3.73Å; I319-L342 HydrophobicContact CG2-CG 4.3Å; L322-L342 HydrophobicContact CD2-CD1 4.24Å; F339-L342 HydrophobicContact CB-CD1 4.06Å; F339-L342 HydrophobicContact CB-CG 4.42Å; F339-L342 HydrophobicContact CD1-CD1 3.86Å; F339-L342 HydrophobicContact CG-CD1 4.47Å; F339-L342 PolarHBondContact O-N 3.5Å; L342-K344 VanDerWaalsContact C-N 3.31Å; L342-K344 PolarHBondContact O-N 2.95Å; L342-L345 HydrophobicContact CB-CB 4.03Å; L342-L345 HydrophobicContact CD1-CD2 4.3Å; L342-P363 HydrophobicContact CB-CB 4.45Å
343	K	91.9	Very high	95.8	Very high	150 Å²	150	45.8 Å²	45.8	65%	0.652	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-15	-171.8	-66.7	-179.8	-176.6	-180	0	113.5	G341 R365	G341-K343 PolarHBondContact O-N 2.96Å; K343-R365 WeakPolarHBondContact O-CD 3.46Å
344	K	96.2	Very high	95.8	Very high	106 Å²	106	46.4 Å²	46.4	46%	0.461	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-3.6	176.7	-67.2	-165.7	-177	169.9	0	113.4	N318 I319 E320 L342 H346	N318-K344 WeakPolarHBondContact OD1-CE 3.43Å; N318-K344 PolarHBondContact OD1-NZ 3.34Å; I319-K344 CarbonylContact O-C 3.39Å; I319-K344 VanDerWaalsContact O-C 3.23Å; E320-K344 HydrophobicContact CG-CB 4.32Å; L342-K344 VanDerWaalsContact C-N 3.31Å; L342-K344 PolarHBondContact O-N 2.95Å; K344-H346 PolarHBondContact O-N 3.02Å
345	L	97	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.			trans	-59.3	120	-174.5	-163.8	78.4	0	0	0	110.2	I319 L322 L342 L348 P363 R365 A366	I319-L345 HydrophobicContact CG1-CD1 4.17Å; I319-L345 HydrophobicContact CG2-CD1 3.9Å; I319-L345 VanDerWaalsContact O-CA 3.25Å; I319-L345 WeakPolarHBondContact O-CA 3.21Å; I319-L345 PolarHBondContact O-N 3.39Å; I319-L345 VanDerWaalsContact O-N 3.07Å; L322-L345 HydrophobicContact CB-CD1 3.74Å; L342-L345 HydrophobicContact CB-CB 4.03Å; L342-L345 HydrophobicContact CD1-CD2 4.3Å; L345-L348 HydrophobicContact CD2-CB 3.92Å; L345-L348 HydrophobicContact CD2-CD1 4.5Å; L345-L348 HydrophobicContact CD2-CD2 4.45Å; L345-P363 HydrophobicContact CB-CB 4.36Å; L345-P363 HydrophobicContact CD2-CB 3.93Å; L345-P363 HydrophobicContact CD2-CG 3.4Å; L345-P363 VanDerWaalsContact CD2-CG 3.4Å; L345-R365 CarbonylContact O-C 3.47Å; L345-A366 VanDerWaalsContact O-CA 3.25Å; L345-A366 WeakPolarHBondContact O-CA 3.41Å; L345-A366 PolarHBondContact O-N 3.15Å
346	H	97.6	Very high	95.9	Very high	50 Å²	50	44.4 Å²	44.4	23%	0.231	22%	0.222	C	C	.	.			trans	-92.6	-52.6	178.4	179	81	0	0	0	109.9	E320 Y321 K344 K367 T368	E320-H346 HydrophobicContact CB-CB 4.44Å; E320-H346 WeakPolarHBondContact O-CA 3.25Å; E320-H346 WeakPolarHBondContact O-CB 3.25Å; E320-H346 PolarHBondContact O-N 2.91Å; Y321-H346 AromaticContact CE1-CD2 3.83Å; K344-H346 PolarHBondContact O-N 3.02Å; H346-K367 PolarHBondContact O-N 3.2Å; H346-T368 PolarHBondContact O-N 3.22Å
347	T	98.6	Very high	96.1	Very high	12 Å²	12	46.2 Å²	46.2	7%	0.074	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.5	-174.6	-69.9	0	0	0	0	111.8	E320 Y321 L322 H349 T368	E320-T347 PolarHBondContact O-N 3.29Å; Y321-T347 HydrophobicContact CD1-CG2 4.44Å; L322-T347 PolarHBondContact N-O 2.86Å; L322-T347 VanDerWaalsContact N-O 3.09Å; T347-H349 WeakPolarHBondContact CG2-CD2 3.12Å; T347-H349 WeakPolarHBondContact CG2-NE2 3.23Å; T347-T368 HydrophobicContact CG2-CG2 4.31Å
348	L	98.6	Very high	96.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	113.1	172.7	-180	54.9	0	0	0	110.2	L322 L324 F339 L345 L350 L362 P363 T368 L369 M370	L322-L348 HydrophobicContact CB-CD1 4.05Å; L322-L348 HydrophobicContact CD2-CD1 3.92Å; L322-L348 HydrophobicContact CG-CD1 3.95Å; L324-L348 HydrophobicContact CD1-CD1 4.39Å; F339-L348 HydrophobicContact CE1-CD1 4.45Å; F339-L348 HydrophobicContact CE1-CD2 4.38Å; F339-L348 HydrophobicContact CZ-CD2 4.38Å; L345-L348 HydrophobicContact CD2-CB 3.92Å; L345-L348 HydrophobicContact CD2-CD1 4.5Å; L345-L348 HydrophobicContact CD2-CD2 4.45Å; L348-L350 HydrophobicContact CD1-CD1 4.35Å; L348-L350 HydrophobicContact CD1-CG 4.07Å; L348-L350 HydrophobicContact CD2-CD1 3.78Å; L348-L350 HydrophobicContact CD2-CG 4.37Å; L348-L350 HydrophobicContact CG-CD1 3.91Å; L348-L350 HydrophobicContact CG-CG 3.97Å; L348-L362 HydrophobicContact CD2-CD2 3.93Å; L348-P363 HydrophobicContact CD2-CG 3.94Å; L348-T368 PolarHBondContact N-O 3.24Å; L348-L369 HydrophobicContact CB-CD1 4.16Å; L348-L369 HydrophobicContact CD2-CD1 4.04Å; L348-L369 HydrophobicContact CG-CD1 4.12Å; L348-M370 PolarHBondContact O-N 3.24Å
349	H	98.8	Very high	96.2	Very high	36 Å²	36	42 Å²	42	17%	0.167	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.8	174.3	-70.5	-177.4	0	0	0	110.7	L322 L323 L324 H325 T347 Y351 M370	L322-H349 PolarHBondContact O-N 2.6Å; L323-H349 HydrophobicContact CD2-CB 3.94Å; L323-H349 WeakPolarHBondContact CD2-ND1 3.43Å; L324-H349 CarbonylContact C-O 3.39Å; L324-H349 WeakPolarHBondContact CA-O 3.13Å; L324-H349 WeakPolarHBondContact CB-O 3.3Å; L324-H349 PolarHBondContact N-O 2.9Å; H325-H349 HydrophobicContact CB-CB 4.4Å; H325-H349 PolarHBondContact N-O 2.96Å; T347-H349 WeakPolarHBondContact CG2-CD2 3.12Å; T347-H349 WeakPolarHBondContact CG2-NE2 3.23Å; H349-Y351 HydrophobicContact CB-CD1 3.95Å; H349-Y351 HydrophobicContact CB-CE1 3.9Å; H349-Y351 AromaticContact CG-CE1 3.87Å; H349-Y351 AromaticContact ND1-CE1 3.69Å; H349-M370 WeakPolarHBondContact CD2-CG 3.12Å
350	L	98.6	Very high	96	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.23	C	C	.	.			trans	-124.3	17.9	179.7	-78.9	171.3	0	0	0	112.3	L324 L329 L348 N353 L355 L362 L369 M370 L371 N374	L324-L350 HydrophobicContact CB-CD2 3.83Å; L324-L350 HydrophobicContact CD1-CD2 4.03Å; L329-L350 HydrophobicContact CD1-CD2 3.82Å; L348-L350 HydrophobicContact CD1-CD1 4.35Å; L348-L350 HydrophobicContact CD1-CG 4.07Å; L348-L350 HydrophobicContact CD2-CD1 3.78Å; L348-L350 HydrophobicContact CD2-CG 4.37Å; L348-L350 HydrophobicContact CG-CD1 3.91Å; L348-L350 HydrophobicContact CG-CG 3.97Å; L350-N353 PolarHBondContact O-ND2 2.89Å; L350-N353 VanDerWaalsContact O-ND2 3.16Å; L350-L355 HydrophobicContact CB-CD1 4.06Å; L350-L355 HydrophobicContact CD1-CD1 4.49Å; L350-L362 HydrophobicContact CD1-CD2 4.35Å; L350-L369 HydrophobicContact CD1-CD1 4.49Å; L350-M370 CarbonylContact C-O 3.39Å; L350-M370 WeakPolarHBondContact CA-O 3.15Å; L350-M370 PolarHBondContact N-O 2.74Å; L350-L371 HydrophobicContact CB-CD2 3.74Å; L350-L371 HydrophobicContact CD1-CD2 4.07Å; L350-N374 PolarHBondContact O-ND2 3.24Å
351	Y	98.7	Very high	96	Very high	62 Å²	62	46.4 Å²	46.4	24%	0.243	22%	0.219	C	C	.	.			trans	-76.7	164.3	-173.6	66.4	-99.4	0	0	0	114.7	H325 N326 H349 N353 M370 L372	H325-Y351 CarbonylContact C-O 3.48Å; H325-Y351 WeakPolarHBondContact CA-O 3.23Å; H325-Y351 HydrophobicContact CB-CD1 3.46Å; H325-Y351 VanDerWaalsContact CB-CD1 3.46Å; H325-Y351 HydrophobicContact CB-CD2 3.55Å; H325-Y351 HydrophobicContact CB-CE1 3.51Å; H325-Y351 HydrophobicContact CB-CE2 3.59Å; H325-Y351 HydrophobicContact CB-CG 3.47Å; H325-Y351 VanDerWaalsContact CB-CG 3.47Å; H325-Y351 WeakPolarHBondContact CB-O 3.43Å; H325-Y351 AromaticContact CD2-CE1 3.54Å; H325-Y351 AromaticContact CD2-CZ 3.58Å; H325-Y351 AromaticContact CE1-CZ 3.6Å; H325-Y351 PolarHBondContact CE1-OH 3.26Å; H325-Y351 AromaticContact CG-CD1 3.95Å; H325-Y351 AromaticContact CG-CE1 3.42Å; H325-Y351 VanDerWaalsContact CG-CE1 3.42Å; H325-Y351 AromaticContact CG-CE2 3.57Å; H325-Y351 AromaticContact CG-CZ 3.2Å; H325-Y351 AromaticContact ND1-CE1 3.95Å; H325-Y351 AromaticContact ND1-CE2 3.4Å; H325-Y351 WeakPolarHBondContact ND1-CE2 3.23Å; H325-Y351 AromaticContact ND1-CZ 3.22Å; H325-Y351 PolarHBondContact ND1-OH 3.37Å; H325-Y351 VanDerWaalsContact ND1-OH 3.15Å; H325-Y351 AromaticContact NE2-CZ 3.8Å; H325-Y351 PolarHBondContact NE2-OH 3.37Å; N326-Y351 PolarHBondContact N-O 3.18Å; N326-Y351 WeakPolarHBondContact OD1-CE2 3.32Å; H349-Y351 HydrophobicContact CB-CD1 3.95Å; H349-Y351 HydrophobicContact CB-CE1 3.9Å; H349-Y351 AromaticContact CG-CE1 3.87Å; H349-Y351 AromaticContact ND1-CE1 3.69Å; Y351-N353 VanDerWaalsContact C-N 3.3Å; Y351-N353 PolarHBondContact O-N 2.82Å; Y351-N353 PolarHBondContact O-ND2 3.1Å; Y351-N353 VanDerWaalsContact O-ND2 3.1Å; Y351-M370 HydrophobicContact CD1-CB 4.03Å; Y351-M370 PolarHBondContact N-O 3.01Å; Y351-L372 WeakPolarHBondContact CA-O 3.38Å; Y351-L372 WeakPolarHBondContact CB-O 3.26Å; Y351-L372 HydrophobicContact CD1-CD2 4.22Å; Y351-L372 HydrophobicContact CD2-CD2 3.76Å; Y351-L372 HydrophobicContact CG-CD2 3.47Å; Y351-L372 VanDerWaalsContact CG-CD2 3.47Å
352	N	98.8	Very high	96.4	Very high	77 Å²	77	45.4 Å²	45.4	41%	0.412	21%	0.206	S	C	.	.	S	Bend	trans	50.5	52.8	-178.4	-165.9	29.2	0	0	0	111.6	N326 N327 L372 H373	N326-N352 WeakPolarHBondContact CA-O 3.48Å; N326-N352 VanDerWaalsContact CG-ND2 3.29Å; N326-N352 PolarHBondContact N-O 2.8Å; N326-N352 PolarHBondContact ND2-ND2 2.85Å; N327-N352 PolarHBondContact N-O 3.03Å; N352-L372 PolarHBondContact N-O 2.75Å; N352-H373 WeakPolarHBondContact CA-O 3.18Å; N352-H373 HydrophobicContact CB-CB 4.43Å; N352-H373 PolarHBondContact N-O 3.06Å
353	N	98.8	Very high	96.2	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	21%	0.207	C	C	.	.	S	Bend	trans	-125.9	-169.8	177.4	-90.4	-77.1	0	0	0	109.1	L324 N327 K328 L329 L350 Y351 L355 N374	L324-N353 PolarHBondContact O-ND2 3.18Å; N327-N353 VanDerWaalsContact CA-OD1 3.29Å; N327-N353 WeakPolarHBondContact CA-OD1 3.49Å; N327-N353 WeakPolarHBondContact CB-OD1 3.17Å; N327-N353 PolarHBondContact N-OD1 3.08Å; N327-N353 PolarHBondContact O-OD1 3.3Å; K328-N353 PolarHBondContact N-OD1 3.3Å; L329-N353 HydrophobicContact CB-CB 4.26Å; L329-N353 VanDerWaalsContact CB-OD1 3.26Å; L329-N353 WeakPolarHBondContact CB-OD1 3.29Å; L329-N353 PolarHBondContact N-OD1 3.12Å; L350-N353 PolarHBondContact O-ND2 2.89Å; L350-N353 VanDerWaalsContact O-ND2 3.16Å; Y351-N353 VanDerWaalsContact C-N 3.3Å; Y351-N353 PolarHBondContact O-N 2.82Å; Y351-N353 PolarHBondContact O-ND2 3.1Å; Y351-N353 VanDerWaalsContact O-ND2 3.1Å; N353-L355 HydrophobicContact CB-CG 4.17Å; N353-N374 VanDerWaalsContact CA-OD1 3.31Å; N353-N374 WeakPolarHBondContact CA-OD1 3.39Å; N353-N374 WeakPolarHBondContact CB-OD1 3.22Å; N353-N374 PolarHBondContact N-OD1 3.3Å; N353-N374 PolarHBondContact O-OD1 3.1Å
354	L	98.6	Very high	96.3	Very high	57 Å²	57	45.5 Å²	45.5	30%	0.298	20%	0.203	S	C	.	.			trans	-106.8	29.9	179.9	-54.7	179.5	0	0	0	111.9	K328 L329 R330 E356 F375	K328-L354 HydrophobicContact CB-CD1 4.24Å; L329-L354 CarbonylContact O-C 3.2Å; L329-L354 WeakPolarHBondContact O-CA 3.16Å; L329-L354 WeakPolarHBondContact O-CB 3.38Å; L329-L354 PolarHBondContact O-N 3.01Å; R330-L354 HydrophobicContact CG-CB 3.81Å; L354-E356 PolarHBondContact O-N 3.16Å; L354-F375 HydrophobicContact CD2-CD2 4.27Å; L354-F375 HydrophobicContact CD2-CE2 3.58Å; L354-F375 HydrophobicContact CD2-CZ 4.36Å
355	L	98.5	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	21%	0.207	C	C	.	.			trans	-71.7	114.6	-174.3	-58.7	177	0	0	0	110.8	L329 I334 L350 N353 P359 L371 N374 F375 V376	L329-L355 HydrophobicContact CB-CD2 4.16Å; L329-L355 PolarHBondContact O-N 3.1Å; I334-L355 HydrophobicContact CD1-CD2 3.83Å; L350-L355 HydrophobicContact CB-CD1 4.06Å; L350-L355 HydrophobicContact CD1-CD1 4.49Å; N353-L355 HydrophobicContact CB-CG 4.17Å; L355-P359 HydrophobicContact CD1-CG 4.17Å; L355-P359 HydrophobicContact CD2-CG 4.29Å; L355-L371 HydrophobicContact CD1-CD2 3.57Å; L355-N374 HydrophobicContact CB-CB 4.13Å; L355-N374 VanDerWaalsContact CB-OD1 3.27Å; L355-N374 WeakPolarHBondContact CB-OD1 3.17Å; L355-N374 VanDerWaalsContact CG-OD1 3.29Å; L355-N374 WeakPolarHBondContact CG-OD1 3.05Å; L355-N374 PolarHBondContact N-OD1 2.92Å; L355-F375 CarbonylContact O-C 3.13Å; L355-F375 VanDerWaalsContact O-CA 3.28Å; L355-F375 WeakPolarHBondContact O-CA 3.19Å; L355-F375 PolarHBondContact O-N 3.16Å; L355-V376 HydrophobicContact CB-CG2 4.37Å; L355-V376 PolarHBondContact O-N 2.93Å
356	E	97.5	Very high	96.1	Very high	56 Å²	56	47.4 Å²	47.4	26%	0.262	21%	0.208	S	C	.	.	S	Bend	trans	-82.4	-17.2	178.6	-48.9	95.4	151.6	0	0	113.5	R330 S331 L354 F375 V376 S377	R330-E356 WeakPolarHBondContact CD-OE1 3.49Å; S331-E356 PolarHBondContact N-OE2 3.13Å; S331-E356 VanDerWaalsContact N-OE2 3.12Å; S331-E356 PolarHBondContact OG-OE2 3.34Å; L354-E356 PolarHBondContact O-N 3.16Å; E356-F375 WeakPolarHBondContact CA-O 3.42Å; E356-V376 WeakPolarHBondContact O-CA 3.4Å; E356-S377 PolarHBondContact O-N 3.34Å; E356-S377 VanDerWaalsContact O-N 3.14Å
357	R	97.6	Very high	96.1	Very high	116 Å²	116	49.7 Å²	49.7	44%	0.438	22%	0.217	S	C	.	.	S	Bend	trans	-148.5	161	-178.5	-66	-172.2	171.9	172.5	-15.5	110.2	S331 P359 E378	S331-R357 WeakPolarHBondContact CB-O 3.23Å; R357-P359 WeakPolarHBondContact O-CD 3.23Å; R357-E378 HydrophobicContact CG-CG 3.96Å; R357-E378 IonicContact CZ-OE1 2.87Å; R357-E378 IonicContact CZ-OE2 2.76Å; R357-E378 IonicContact NE-OE1 2.9Å; R357-E378 PolarHBondContact NE-OE1 2.83Å; R357-E378 IonicContact NE-OE2 3.42Å; R357-E378 PolarHBondContact NE-OE2 3.16Å; R357-E378 IonicContact NH1-OE1 3.68Å; R357-E378 IonicContact NH2-OE1 2.87Å; R357-E378 PolarHBondContact NH2-OE1 3.35Å; R357-E378 IonicContact NH2-OE2 2.86Å; R357-E378 PolarHBondContact NH2-OE2 3.14Å
358	V	97	Very high	96.1	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.024	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-62	125	167.8	178.3	0	0	0	0	108.8	L362 L371 V376 I379 D383 L384	V358-L362 HydrophobicContact CG1-CD1 3.57Å; V358-L371 HydrophobicContact CG1-CD1 4.49Å; V358-L371 HydrophobicContact CG2-CD1 4.39Å; V358-V376 HydrophobicContact CG2-CG1 4.09Å; V358-I379 HydrophobicContact CG2-CG1 4.37Å; V358-D383 HydrophobicContact CB-CB 4.06Å; V358-D383 HydrophobicContact CG1-CB 4.2Å; V358-L384 HydrophobicContact CG1-CD2 3.77Å
359	P	94.3	Very high	96.1	Very high	3 Å²	3	50 Å²	50	2%	0.019	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-61.2	145.9	-178.9	-24.8	34.8	0	0	0	112.7	I334 L355 R357 L362	I334-P359 HydrophobicContact CD1-CB 4.05Å; I334-P359 HydrophobicContact CD1-CG 3.76Å; I334-P359 HydrophobicContact CG2-CB 4.46Å; L355-P359 HydrophobicContact CD1-CG 4.17Å; L355-P359 HydrophobicContact CD2-CG 4.29Å; R357-P359 WeakPolarHBondContact O-CD 3.23Å; P359-L362 HydrophobicContact CB-CD2 4.29Å; P359-L362 HydrophobicContact CB-CG 4.46Å; P359-L362 WeakPolarHBondContact O-CD1 3.27Å; P359-L362 WeakPolarHBondContact O-CG 3.13Å
360	R	89.4	Confident	96.1	Very high	182 Å²	182	49.3 Å²	49.3	69%	0.687	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	152.3	171.3	-66.3	-177.6	179.4	174.3	0.9	110.2	L362	R360-L362 VanDerWaalsContact C-N 3.35Å
361	G	88.6	Confident	96.1	Very high	28 Å²	28	49.3 Å²	49.3	29%	0.289	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	23.6	174.4	0	0	0	0	0	114.3	P336	P336-G361 WeakPolarHBondContact O-CA 3.19Å
362	L	93.9	Very high	96.1	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	21%	0.212	C	C	.	.			trans	-56.1	150.5	174.3	-72.2	168.1	0	0	0	112	F339 L348 L350 V358 P359 R360 R364 L369 L387	F339-L362 HydrophobicContact CD2-CD2 4.46Å; F339-L362 HydrophobicContact CE2-CD2 4.23Å; L348-L362 HydrophobicContact CD2-CD2 3.93Å; L350-L362 HydrophobicContact CD1-CD2 4.35Å; V358-L362 HydrophobicContact CG1-CD1 3.57Å; P359-L362 HydrophobicContact CB-CD2 4.29Å; P359-L362 HydrophobicContact CB-CG 4.46Å; P359-L362 WeakPolarHBondContact O-CD1 3.27Å; P359-L362 WeakPolarHBondContact O-CG 3.13Å; R360-L362 VanDerWaalsContact C-N 3.35Å; L362-R364 PolarHBondContact O-N 3.28Å; L362-L369 HydrophobicContact CD1-CD2 3.87Å; L362-L369 HydrophobicContact CD2-CD1 4.45Å; L362-L387 HydrophobicContact CB-CD1 4.46Å; L362-L387 HydrophobicContact CB-CD2 3.9Å; L362-L387 HydrophobicContact CD1-CD1 4.06Å
363	P	92.4	Very high	96.1	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.032	21%	0.213	C	C	.	.			trans	-65.9	119.2	-173.5	20.7	-28.2	0	0	0	112	F339 L342 L345 L348 R365 A366 L387	F339-P363 HydrophobicContact CB-CB 4.42Å; F339-P363 HydrophobicContact CB-CG 4.44Å; L342-P363 HydrophobicContact CB-CB 4.45Å; L345-P363 HydrophobicContact CB-CB 4.36Å; L345-P363 HydrophobicContact CD2-CB 3.93Å; L345-P363 HydrophobicContact CD2-CG 3.4Å; L345-P363 VanDerWaalsContact CD2-CG 3.4Å; L348-P363 HydrophobicContact CD2-CG 3.94Å; P363-R365 PolarHBondContact O-N 3.11Å; P363-A366 HydrophobicContact CB-CB 4.49Å; P363-A366 HydrophobicContact CG-CB 4.07Å; P363-A366 PolarHBondContact O-N 3.04Å; P363-L387 WeakPolarHBondContact O-CD2 3.26Å
364	R	92.1	Very high	96.1	Very high	152 Å²	152	48.6 Å²	48.6	57%	0.574	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.9	-174	-69.9	-177.3	179.9	-168.8	0.7	115.6	L362 L386 Y388 T389	L362-R364 PolarHBondContact O-N 3.28Å; R364-L386 HydrophobicContact CG-CB 4.16Å; R364-Y388 HydrophobicContact CB-CE1 4.01Å; R364-T389 PolarHBondContact O-OG1 3.25Å
365	R	93.4	Very high	96.1	Very high	143 Å²	143	50.8 Å²	50.8	54%	0.54	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	3.7	-173	-75.1	-178	169.2	-159.7	-0.1	113.8	K343 L345 P363 K367 T389	K343-R365 WeakPolarHBondContact O-CD 3.46Å; L345-R365 CarbonylContact O-C 3.47Å; P363-R365 PolarHBondContact O-N 3.11Å; R365-K367 PolarHBondContact O-N 3.25Å; R365-T389 WeakPolarHBondContact CA-OG1 3.35Å; R365-T389 PolarHBondContact O-OG1 3.11Å
366	A	96.2	Very high	96.1	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.017	22%	0.22	C	C	.	.			trans	-59.1	138.6	174.2	0	0	0	0	0	110.7	L345 P363 T389 L390	L345-A366 VanDerWaalsContact O-CA 3.25Å; L345-A366 WeakPolarHBondContact O-CA 3.41Å; L345-A366 PolarHBondContact O-N 3.15Å; P363-A366 HydrophobicContact CB-CB 4.49Å; P363-A366 HydrophobicContact CG-CB 4.07Å; P363-A366 PolarHBondContact O-N 3.04Å; A366-T389 CarbonylContact O-C 3.49Å; A366-T389 PolarHBondContact O-OG1 2.79Å; A366-L390 HydrophobicContact CB-CD1 4.41Å; A366-L390 WeakPolarHBondContact O-CA 3.19Å; A366-L390 PolarHBondContact O-N 3.2Å
367	K	98.1	Very high	96.1	Very high	99 Å²	99	49.6 Å²	49.6	43%	0.43	22%	0.218	S	C	.	.	S	Bend	trans	-98.1	-35.8	172.7	-62.9	-161.4	-168.9	170.4	0	110.9	H346 R365 L390 T391 E392	H346-K367 PolarHBondContact O-N 3.2Å; R365-K367 PolarHBondContact O-N 3.25Å; K367-L390 WeakPolarHBondContact O-CD1 3.34Å; K367-T391 PolarHBondContact O-N 2.92Å; K367-T391 PolarHBondContact O-OG1 3.06Å; K367-T391 VanDerWaalsContact O-OG1 3.12Å; K367-E392 PolarHBondContact O-N 3.05Å
368	T	98.8	Very high	96.1	Very high	14 Å²	14	46.5 Å²	46.5	9%	0.086	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.1	-176.4	-58.3	0	0	0	0	110.7	H346 T347 L348 M370 E392	H346-T368 PolarHBondContact O-N 3.22Å; T347-T368 HydrophobicContact CG2-CG2 4.31Å; L348-T368 PolarHBondContact N-O 3.24Å; T368-M370 HydrophobicContact CG2-CE 3.27Å; T368-M370 HydrophobicContact CG2-CG 4.22Å; T368-E392 HydrophobicContact CG2-CB 4.27Å; T368-E392 HydrophobicContact CG2-CG 4.34Å
369	L	98.7	Very high	96.2	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	112.5	177.5	178.6	59.6	0	0	0	110.5	L348 L350 L362 L371 L387 L390 E392 L393 N394	L348-L369 HydrophobicContact CB-CD1 4.16Å; L348-L369 HydrophobicContact CD2-CD1 4.04Å; L348-L369 HydrophobicContact CG-CD1 4.12Å; L350-L369 HydrophobicContact CD1-CD1 4.49Å; L362-L369 HydrophobicContact CD1-CD2 3.87Å; L362-L369 HydrophobicContact CD2-CD1 4.45Å; L369-L371 HydrophobicContact CD1-CD1 4.37Å; L369-L371 HydrophobicContact CD1-CG 4.13Å; L369-L371 HydrophobicContact CD2-CD1 3.86Å; L369-L371 HydrophobicContact CD2-CG 4.47Å; L369-L371 HydrophobicContact CG-CD1 3.97Å; L369-L371 HydrophobicContact CG-CG 4.04Å; L369-L387 HydrophobicContact CD2-CD1 3.77Å; L369-L390 HydrophobicContact CB-CD1 3.73Å; L369-L390 HydrophobicContact CB-CD2 4.33Å; L369-E392 PolarHBondContact N-O 3.15Å; L369-L393 HydrophobicContact CB-CD1 4.15Å; L369-L393 HydrophobicContact CD2-CD1 3.97Å; L369-L393 HydrophobicContact CG-CD1 4.08Å; L369-N394 PolarHBondContact O-N 2.88Å
370	M	98.8	Very high	96.2	Very high	23 Å²	23	47.2 Å²	47.2	11%	0.113	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	107.8	-179	-60.7	-66	166.8	0	0	110.4	L348 H349 L350 Y351 T368 E392 N394	L348-M370 PolarHBondContact O-N 3.24Å; H349-M370 WeakPolarHBondContact CD2-CG 3.12Å; L350-M370 CarbonylContact C-O 3.39Å; L350-M370 WeakPolarHBondContact CA-O 3.15Å; L350-M370 PolarHBondContact N-O 2.74Å; Y351-M370 HydrophobicContact CD1-CB 4.03Å; Y351-M370 PolarHBondContact N-O 3.01Å; T368-M370 HydrophobicContact CG2-CE 3.27Å; T368-M370 HydrophobicContact CG2-CG 4.22Å; M370-E392 HydrophobicContact CE-CG 3.82Å; M370-E392 VanDerWaalsContact CE-OE1 3.26Å; M370-E392 WeakPolarHBondContact CE-OE1 3.46Å; M370-N394 HydrophobicContact SD-CB 3.5Å; M370-N394 WeakPolarHBondContact SD-CB 3.44Å
371	L	98.6	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.209	C	C	.	.			trans	-118.2	13	-179.8	-72.6	168.6	0	0	0	112.6	L350 L355 V358 L369 N374 N394 L395 N398	L350-L371 HydrophobicContact CB-CD2 3.74Å; L350-L371 HydrophobicContact CD1-CD2 4.07Å; L355-L371 HydrophobicContact CD1-CD2 3.57Å; V358-L371 HydrophobicContact CG1-CD1 4.49Å; V358-L371 HydrophobicContact CG2-CD1 4.39Å; L369-L371 HydrophobicContact CD1-CD1 4.37Å; L369-L371 HydrophobicContact CD1-CG 4.13Å; L369-L371 HydrophobicContact CD2-CD1 3.86Å; L369-L371 HydrophobicContact CD2-CG 4.47Å; L369-L371 HydrophobicContact CG-CD1 3.97Å; L369-L371 HydrophobicContact CG-CG 4.04Å; L371-N374 PolarHBondContact O-ND2 3.36Å; L371-N394 CarbonylContact C-O 3.23Å; L371-N394 WeakPolarHBondContact CA-O 3.49Å; L371-N394 WeakPolarHBondContact CB-O 3.33Å; L371-N394 PolarHBondContact N-O 3.32Å; L371-L395 HydrophobicContact CB-CD2 3.95Å; L371-L395 HydrophobicContact CD1-CD2 3.92Å; L371-N398 PolarHBondContact O-ND2 3.43Å
372	L	98.7	Very high	96.8	Very high	30 Å²	30	48.9 Å²	48.9	16%	0.157	22%	0.223	C	C	.	.			trans	-62.7	160.3	-178.2	74.2	-114.4	0	0	0	113.6	Y351 N352 N374 N394 S396	Y351-L372 WeakPolarHBondContact CA-O 3.38Å; Y351-L372 WeakPolarHBondContact CB-O 3.26Å; Y351-L372 HydrophobicContact CD1-CD2 4.22Å; Y351-L372 HydrophobicContact CD2-CD2 3.76Å; Y351-L372 HydrophobicContact CG-CD2 3.47Å; Y351-L372 VanDerWaalsContact CG-CD2 3.47Å; N352-L372 PolarHBondContact N-O 2.75Å; L372-N374 PolarHBondContact O-N 3.26Å; L372-N374 PolarHBondContact O-ND2 3.5Å; L372-N394 WeakPolarHBondContact CB-OD1 3.44Å; L372-N394 HydrophobicContact CD1-CB 4Å; L372-N394 VanDerWaalsContact CD1-CG 3.41Å; L372-N394 WeakPolarHBondContact CD1-ND2 3.21Å; L372-N394 PolarHBondContact N-O 2.85Å; L372-S396 CarbonylContact C-O 3.59Å; L372-S396 WeakPolarHBondContact CA-O 3.27Å; L372-S396 VanDerWaalsContact CB-O 3.27Å; L372-S396 WeakPolarHBondContact CB-O 3.49Å; L372-S396 WeakPolarHBondContact CB-OG 3.19Å
373	H	98.7	Very high	96.9	Very high	93 Å²	93	50.2 Å²	50.2	43%	0.431	23%	0.231	S	C	.	.	S	Bend	trans	52.5	50.5	-180	-65.9	-73.8	0	0	0	112.9	N352 S396 Y397	N352-H373 WeakPolarHBondContact CA-O 3.18Å; N352-H373 HydrophobicContact CB-CB 4.43Å; N352-H373 PolarHBondContact N-O 3.06Å; H373-S396 PolarHBondContact N-O 2.68Å; H373-Y397 WeakPolarHBondContact CA-O 3.34Å; H373-Y397 VanDerWaalsContact CE1-CB 3.49Å; H373-Y397 WeakPolarHBondContact CE1-CB 3.49Å; H373-Y397 AromaticContact CE1-CD1 3.96Å; H373-Y397 AromaticContact CE1-CD2 3.6Å; H373-Y397 AromaticContact CE1-CG 3.39Å; H373-Y397 PolarHBondContact N-O 3.27Å; H373-Y397 WeakPolarHBondContact ND1-CB 3.4Å; H373-Y397 AromaticContact ND1-CG 3.84Å; H373-Y397 AromaticContact NE2-CD2 3.63Å; H373-Y397 AromaticContact NE2-CG 3.91Å
374	N	98.8	Very high	97	Very high	4 Å²	4	50 Å²	50	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	-121.3	-167	172.8	-87.5	-77.6	0	0	0	109.6	L350 N353 L355 L371 L372 V376 N398	L350-N374 PolarHBondContact O-ND2 3.24Å; N353-N374 VanDerWaalsContact CA-OD1 3.31Å; N353-N374 WeakPolarHBondContact CA-OD1 3.39Å; N353-N374 WeakPolarHBondContact CB-OD1 3.22Å; N353-N374 PolarHBondContact N-OD1 3.3Å; N353-N374 PolarHBondContact O-OD1 3.1Å; L355-N374 HydrophobicContact CB-CB 4.13Å; L355-N374 VanDerWaalsContact CB-OD1 3.27Å; L355-N374 WeakPolarHBondContact CB-OD1 3.17Å; L355-N374 VanDerWaalsContact CG-OD1 3.29Å; L355-N374 WeakPolarHBondContact CG-OD1 3.05Å; L355-N374 PolarHBondContact N-OD1 2.92Å; L371-N374 PolarHBondContact O-ND2 3.36Å; L372-N374 PolarHBondContact O-N 3.26Å; L372-N374 PolarHBondContact O-ND2 3.5Å; N374-V376 HydrophobicContact CB-CG2 4.17Å; N374-N398 WeakPolarHBondContact CA-OD1 3.18Å; N374-N398 WeakPolarHBondContact CB-OD1 3.29Å; N374-N398 PolarHBondContact N-OD1 2.76Å; N374-N398 PolarHBondContact O-OD1 3.21Å
375	F	98.6	Very high	97.1	Very high	102 Å²	102	44.5 Å²	44.5	45%	0.447	21%	0.214	S	C	.	.			trans	-113.5	25.2	178.7	-60.6	-92.3	0	0	0	111.6	L354 L355 E356 S377 N398	L354-F375 HydrophobicContact CD2-CD2 4.27Å; L354-F375 HydrophobicContact CD2-CE2 3.58Å; L354-F375 HydrophobicContact CD2-CZ 4.36Å; L355-F375 CarbonylContact O-C 3.13Å; L355-F375 VanDerWaalsContact O-CA 3.28Å; L355-F375 WeakPolarHBondContact O-CA 3.19Å; L355-F375 PolarHBondContact O-N 3.16Å; E356-F375 WeakPolarHBondContact CA-O 3.42Å; F375-S377 PolarHBondContact O-N 3.22Å; F375-S377 VanDerWaalsContact O-N 3.08Å; F375-N398 PolarHBondContact N-OD1 3.05Å
376	V	98.6	Very high	97	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.			trans	-63.2	115.6	-176	-178.9	0	0	0	0	108.6	L355 E356 V358 N374 N398 K399 L400	L355-V376 HydrophobicContact CB-CG2 4.37Å; L355-V376 PolarHBondContact O-N 2.93Å; E356-V376 WeakPolarHBondContact O-CA 3.4Å; V358-V376 HydrophobicContact CG2-CG1 4.09Å; N374-V376 HydrophobicContact CB-CG2 4.17Å; V376-N398 HydrophobicContact CB-CB 4.19Å; V376-N398 VanDerWaalsContact CB-OD1 3.25Å; V376-N398 WeakPolarHBondContact CB-OD1 3.41Å; V376-N398 WeakPolarHBondContact CG2-OD1 3.27Å; V376-N398 PolarHBondContact N-OD1 3.01Å; V376-K399 CarbonylContact O-C 3.39Å; V376-K399 VanDerWaalsContact O-C 3.29Å; V376-K399 WeakPolarHBondContact O-CA 3.44Å; V376-K399 PolarHBondContact O-N 3.25Å; V376-L400 HydrophobicContact CG1-CD2 3.96Å; V376-L400 PolarHBondContact O-N 3.28Å
377	S	97.7	Very high	97	Very high	31 Å²	31	40.8 Å²	40.8	22%	0.217	20%	0.204	C	C	.	.			trans	-110	-11.8	-175.1	64.2	0	0	0	0	114.1	E356 F375 K399 K404	E356-S377 PolarHBondContact O-N 3.34Å; E356-S377 VanDerWaalsContact O-N 3.14Å; F375-S377 PolarHBondContact O-N 3.22Å; F375-S377 VanDerWaalsContact O-N 3.08Å; S377-K399 WeakPolarHBondContact CA-O 3.29Å; S377-K404 WeakPolarHBondContact O-CB 3.48Å; S377-K404 WeakPolarHBondContact O-CD 3.47Å
378	E	97.4	Very high	96.8	Very high	51 Å²	51	41.6 Å²	41.6	24%	0.238	21%	0.205	C	C	.	.			trans	-146.9	154.1	178.5	65	178.6	-128.2	0	0	111.8	R357 K404	R357-E378 HydrophobicContact CG-CG 3.96Å; R357-E378 IonicContact CZ-OE1 2.87Å; R357-E378 IonicContact CZ-OE2 2.76Å; R357-E378 IonicContact NE-OE1 2.9Å; R357-E378 PolarHBondContact NE-OE1 2.83Å; R357-E378 IonicContact NE-OE2 3.42Å; R357-E378 PolarHBondContact NE-OE2 3.16Å; R357-E378 IonicContact NH1-OE1 3.68Å; R357-E378 IonicContact NH2-OE1 2.87Å; R357-E378 PolarHBondContact NH2-OE1 3.35Å; R357-E378 IonicContact NH2-OE2 2.86Å; R357-E378 PolarHBondContact NH2-OE2 3.14Å; E378-K404 WeakPolarHBondContact CA-O 3.44Å; E378-K404 HydrophobicContact CB-CB 3.9Å; E378-K404 HydrophobicContact CB-CD 4.42Å; E378-K404 WeakPolarHBondContact CB-O 3.35Å
379	I	97.6	Very high	96.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-133.3	107.1	169.9	-50.8	176.6	0	0	0	107.7	V358 D383 L384 L395 L400 K404 H406 A409 F410	V358-I379 HydrophobicContact CG2-CG1 4.37Å; I379-D383 HydrophobicContact CG2-CB 4.44Å; I379-L384 HydrophobicContact CG2-CD1 3.98Å; I379-L384 HydrophobicContact CG2-CG 4.34Å; I379-L395 HydrophobicContact CD1-CD1 3.74Å; I379-L400 HydrophobicContact CD1-CD1 3.96Å; I379-L400 HydrophobicContact CD1-CD2 3.96Å; I379-L400 HydrophobicContact CG1-CD2 3.72Å; I379-K404 PolarHBondContact N-O 2.85Å; I379-H406 PolarHBondContact O-N 3.44Å; I379-A409 HydrophobicContact CB-CB 4.38Å; I379-A409 HydrophobicContact CG2-CB 3.73Å; I379-F410 HydrophobicContact CD1-CE1 4.38Å; I379-F410 HydrophobicContact CD1-CZ 3.94Å
380	G	96.1	Very high	96.7	Very high	23 Å²	23	42.3 Å²	42.3	24%	0.237	21%	0.21	C	C	.	.			trans	-75.4	168.4	176.3	0	0	0	0	0	112.7	N382 D383	G380-N382 PolarHBondContact O-N 3.26Å; G380-N382 VanDerWaalsContact O-N 3.13Å; G380-D383 WeakPolarHBondContact CA-OD2 3.31Å; G380-D383 PolarHBondContact N-OD2 2.86Å; G380-D383 PolarHBondContact O-N 2.9Å
381	R	95.6	Very high	96.7	Very high	134 Å²	134	43.1 Å²	43.1	51%	0.506	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-35	-179.2	-174.1	176.5	-165.2	-159.3	4	114.1	D408	R381-D408 HydrophobicContact CG-CB 4.09Å; R381-D408 IonicContact CZ-OD2 3.73Å; R381-D408 IonicContact NE-OD2 3.29Å; R381-D408 PolarHBondContact NE-OD2 2.78Å; R381-D408 IonicContact NH2-OD2 3.32Å; R381-D408 PolarHBondContact NH2-OD2 3.48Å
382	N	94.3	Very high	96.7	Very high	111 Å²	111	46.2 Å²	46.2	59%	0.594	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-4.2	-168.9	-66.2	-27	0	0	0	114.1	G380 L384 S385	G380-N382 PolarHBondContact O-N 3.26Å; G380-N382 VanDerWaalsContact O-N 3.13Å; N382-L384 VanDerWaalsContact C-N 3.31Å; N382-L384 PolarHBondContact O-N 3.38Å; N382-S385 WeakPolarHBondContact O-CB 3.29Å; N382-S385 PolarHBondContact O-N 3.31Å; N382-S385 PolarHBondContact O-OG 3.09Å
383	D	95.3	Very high	96.7	Very high	35 Å²	35	44.9 Å²	44.9	19%	0.187	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-35.3	-170.8	-66.7	-16.5	0	0	0	112.4	V358 I379 G380	V358-D383 HydrophobicContact CB-CB 4.06Å; V358-D383 HydrophobicContact CG1-CB 4.2Å; I379-D383 HydrophobicContact CG2-CB 4.44Å; G380-D383 WeakPolarHBondContact CA-OD2 3.31Å; G380-D383 PolarHBondContact N-OD2 2.86Å; G380-D383 PolarHBondContact O-N 2.9Å
384	L	95.7	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	5.7	177.8	-59.2	170.9	0	0	0	112.9	V358 I379 N382 L386 L387 L393 F410 L413	V358-L384 HydrophobicContact CG1-CD2 3.77Å; I379-L384 HydrophobicContact CG2-CD1 3.98Å; I379-L384 HydrophobicContact CG2-CG 4.34Å; N382-L384 VanDerWaalsContact C-N 3.31Å; N382-L384 PolarHBondContact O-N 3.38Å; L384-L386 PolarHBondContact O-N 3.04Å; L384-L386 VanDerWaalsContact O-N 3.07Å; L384-L387 HydrophobicContact CB-CD1 4.48Å; L384-L387 HydrophobicContact CD2-CD1 3.69Å; L384-L387 PolarHBondContact O-N 3.36Å; L384-L387 VanDerWaalsContact O-N 3.15Å; L384-L393 HydrophobicContact CD1-CD2 3.93Å; L384-F410 HydrophobicContact CD1-CD1 3.86Å; L384-F410 HydrophobicContact CD1-CE1 3.76Å; L384-L413 HydrophobicContact CB-CD1 4.44Å; L384-L413 HydrophobicContact CB-CD2 4.28Å; L384-L413 HydrophobicContact CD1-CD1 4.22Å
385	S	93.3	Very high	96.7	Very high	36 Å²	36	41.2 Å²	41.2	25%	0.252	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.4	-168.8	63.7	0	0	0	0	115.2	N382	N382-S385 WeakPolarHBondContact O-CB 3.29Å; N382-S385 PolarHBondContact O-N 3.31Å; N382-S385 PolarHBondContact O-OG 3.09Å
386	L	92.6	Very high	96.7	Very high	65 Å²	65	36.6 Å²	36.6	34%	0.34	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.8	-178.5	-68.1	-176.5	0	0	0	113.9	R364 L384 Y388	R364-L386 HydrophobicContact CG-CB 4.16Å; L384-L386 PolarHBondContact O-N 3.04Å; L384-L386 VanDerWaalsContact O-N 3.07Å; L386-Y388 VanDerWaalsContact C-N 3.35Å; L386-Y388 WeakPolarHBondContact O-CD1 3.39Å; L386-Y388 WeakPolarHBondContact O-CE1 3.07Å; L386-Y388 PolarHBondContact O-N 3.38Å
387	L	94.9	Very high	96.7	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.204	C	C	.	.			trans	-94.7	52.9	-168.4	-57.9	177.7	0	0	0	112.2	L362 P363 L369 L384 T389 L390 L413	L362-L387 HydrophobicContact CB-CD1 4.46Å; L362-L387 HydrophobicContact CB-CD2 3.9Å; L362-L387 HydrophobicContact CD1-CD1 4.06Å; P363-L387 WeakPolarHBondContact O-CD2 3.26Å; L369-L387 HydrophobicContact CD2-CD1 3.77Å; L384-L387 HydrophobicContact CB-CD1 4.48Å; L384-L387 HydrophobicContact CD2-CD1 3.69Å; L384-L387 PolarHBondContact O-N 3.36Å; L384-L387 VanDerWaalsContact O-N 3.15Å; L387-T389 PolarHBondContact O-N 2.89Å; L387-L390 HydrophobicContact CB-CB 4.1Å; L387-L390 HydrophobicContact CB-CD2 4.36Å; L387-L390 HydrophobicContact CD1-CD2 4.14Å; L387-L390 WeakPolarHBondContact O-CB 3.48Å; L387-L390 PolarHBondContact O-N 3.46Å; L387-L413 HydrophobicContact CB-CD2 3.73Å; L387-L413 WeakPolarHBondContact O-CD2 3.38Å
388	Y	94.6	Very high	96.8	Very high	117 Å²	117	39.7 Å²	39.7	46%	0.459	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.3	-175.1	56	-89.8	0	0	0	114.2	R364 L386	R364-Y388 HydrophobicContact CB-CE1 4.01Å; L386-Y388 VanDerWaalsContact C-N 3.35Å; L386-Y388 WeakPolarHBondContact O-CD1 3.39Å; L386-Y388 WeakPolarHBondContact O-CE1 3.07Å; L386-Y388 PolarHBondContact O-N 3.38Å
389	T	96.8	Very high	96.8	Very high	31 Å²	31	43.1 Å²	43.1	19%	0.19	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	0.1	176.9	57.4	0	0	0	0	114	R364 R365 A366 L387 T391	R364-T389 PolarHBondContact O-OG1 3.25Å; R365-T389 WeakPolarHBondContact CA-OG1 3.35Å; R365-T389 PolarHBondContact O-OG1 3.11Å; A366-T389 CarbonylContact O-C 3.49Å; A366-T389 PolarHBondContact O-OG1 2.79Å; L387-T389 PolarHBondContact O-N 2.89Å; T389-T391 PolarHBondContact O-N 3.01Å
390	L	98.2	Very high	96.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.209	C	C	.	.			trans	-70.5	125.8	-173.1	-159.2	74.3	0	0	0	110.2	A366 K367 L369 L387 L393 L413 I415 L416	A366-L390 HydrophobicContact CB-CD1 4.41Å; A366-L390 WeakPolarHBondContact O-CA 3.19Å; A366-L390 PolarHBondContact O-N 3.2Å; K367-L390 WeakPolarHBondContact O-CD1 3.34Å; L369-L390 HydrophobicContact CB-CD1 3.73Å; L369-L390 HydrophobicContact CB-CD2 4.33Å; L387-L390 HydrophobicContact CB-CB 4.1Å; L387-L390 HydrophobicContact CB-CD2 4.36Å; L387-L390 HydrophobicContact CD1-CD2 4.14Å; L387-L390 WeakPolarHBondContact O-CB 3.48Å; L387-L390 PolarHBondContact O-N 3.46Å; L390-L393 HydrophobicContact CD2-CB 3.82Å; L390-L393 HydrophobicContact CD2-CD1 4.22Å; L390-L393 HydrophobicContact CD2-CD2 4.26Å; L390-L393 HydrophobicContact CD2-CG 4.33Å; L390-L413 HydrophobicContact CB-CD2 4.37Å; L390-L413 HydrophobicContact CD2-CD2 4.37Å; L390-I415 CarbonylContact O-C 3.38Å; L390-L416 HydrophobicContact CB-CD1 4.38Å; L390-L416 HydrophobicContact CD2-CD1 4.1Å; L390-L416 HydrophobicContact CG-CD1 4.12Å; L390-L416 VanDerWaalsContact O-CA 3.31Å; L390-L416 WeakPolarHBondContact O-CA 3.27Å; L390-L416 PolarHBondContact O-N 3.47Å
391	T	98.6	Very high	96.9	Very high	40 Å²	40	43.7 Å²	43.7	25%	0.245	21%	0.208	C	C	.	.			trans	-105.1	-27.3	177	53.8	0	0	0	0	111.4	K367 T389 I415 E417 T418	K367-T391 PolarHBondContact O-N 2.92Å; K367-T391 PolarHBondContact O-OG1 3.06Å; K367-T391 VanDerWaalsContact O-OG1 3.12Å; T389-T391 PolarHBondContact O-N 3.01Å; T391-I415 HydrophobicContact CG2-CD1 4.25Å; T391-I415 HydrophobicContact CG2-CG1 4.41Å; T391-E417 PolarHBondContact O-N 3.02Å; T391-T418 PolarHBondContact O-N 2.92Å
392	E	98.9	Very high	96.9	Very high	66 Å²	66	39.5 Å²	39.5	31%	0.308	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	127.4	-178.9	-176.5	172.1	-167.5	0	0	111.8	K367 T368 L369 M370 T418	K367-E392 PolarHBondContact O-N 3.05Å; T368-E392 HydrophobicContact CG2-CB 4.27Å; T368-E392 HydrophobicContact CG2-CG 4.34Å; L369-E392 PolarHBondContact N-O 3.15Å; M370-E392 HydrophobicContact CE-CG 3.82Å; M370-E392 VanDerWaalsContact CE-OE1 3.26Å; M370-E392 WeakPolarHBondContact CE-OE1 3.46Å; E392-T418 HydrophobicContact CG-CG2 4.26Å
393	L	98.8	Very high	97	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	116.8	177.6	178.4	55.3	0	0	0	110	L369 L384 L390 L395 F410 L413 L416 T418 L419 D420	L369-L393 HydrophobicContact CB-CD1 4.15Å; L369-L393 HydrophobicContact CD2-CD1 3.97Å; L369-L393 HydrophobicContact CG-CD1 4.08Å; L384-L393 HydrophobicContact CD1-CD2 3.93Å; L390-L393 HydrophobicContact CD2-CB 3.82Å; L390-L393 HydrophobicContact CD2-CD1 4.22Å; L390-L393 HydrophobicContact CD2-CD2 4.26Å; L390-L393 HydrophobicContact CD2-CG 4.33Å; L393-L395 HydrophobicContact CD1-CD1 4.22Å; L393-L395 HydrophobicContact CD1-CG 4.04Å; L393-L395 HydrophobicContact CD2-CD1 3.8Å; L393-L395 HydrophobicContact CD2-CG 4.49Å; L393-L395 HydrophobicContact CG-CD1 3.94Å; L393-L395 HydrophobicContact CG-CG 4.11Å; L393-F410 HydrophobicContact CD2-CD1 4.46Å; L393-F410 HydrophobicContact CD2-CE1 4.16Å; L393-L413 HydrophobicContact CD2-CD1 4.01Å; L393-L416 HydrophobicContact CB-CD1 3.85Å; L393-L416 HydrophobicContact CB-CD2 4.41Å; L393-T418 PolarHBondContact N-O 2.89Å; L393-L419 HydrophobicContact CB-CD1 4.09Å; L393-L419 HydrophobicContact CD2-CD1 4Å; L393-L419 HydrophobicContact CG-CD1 3.98Å; L393-L419 WeakPolarHBondContact O-CA 3.41Å; L393-D420 PolarHBondContact O-N 2.83Å; L393-D420 VanDerWaalsContact O-N 3.09Å
394	N	98.9	Very high	97.1	Very high	21 Å²	21	43.7 Å²	43.7	11%	0.112	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.5	172.8	-159.5	-40.1	0	0	0	111.2	L369 M370 L371 L372 S396 D420	L369-N394 PolarHBondContact O-N 2.88Å; M370-N394 HydrophobicContact SD-CB 3.5Å; M370-N394 WeakPolarHBondContact SD-CB 3.44Å; L371-N394 CarbonylContact C-O 3.23Å; L371-N394 WeakPolarHBondContact CA-O 3.49Å; L371-N394 WeakPolarHBondContact CB-O 3.33Å; L371-N394 PolarHBondContact N-O 3.32Å; L372-N394 WeakPolarHBondContact CB-OD1 3.44Å; L372-N394 HydrophobicContact CD1-CB 4Å; L372-N394 VanDerWaalsContact CD1-CG 3.41Å; L372-N394 WeakPolarHBondContact CD1-ND2 3.21Å; L372-N394 PolarHBondContact N-O 2.85Å; N394-S396 VanDerWaalsContact OD1-CB 3.3Å; N394-S396 WeakPolarHBondContact OD1-CB 3.44Å; N394-S396 PolarHBondContact OD1-N 3Å; N394-S396 PolarHBondContact OD1-OG 3.06Å; N394-D420 HydrophobicContact CB-CB 4.44Å; N394-D420 PolarHBondContact ND2-OD2 2.9Å; N394-D420 PolarHBondContact OD1-OD2 2.92Å
395	L	98.7	Very high	97.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.			trans	-119.3	18.2	178	-78.4	164.1	0	0	0	111.4	L371 I379 L393 N398 L400 F410 D420 L421 N424	L371-L395 HydrophobicContact CB-CD2 3.95Å; L371-L395 HydrophobicContact CD1-CD2 3.92Å; I379-L395 HydrophobicContact CD1-CD1 3.74Å; L393-L395 HydrophobicContact CD1-CD1 4.22Å; L393-L395 HydrophobicContact CD1-CG 4.04Å; L393-L395 HydrophobicContact CD2-CD1 3.8Å; L393-L395 HydrophobicContact CD2-CG 4.49Å; L393-L395 HydrophobicContact CG-CD1 3.94Å; L393-L395 HydrophobicContact CG-CG 4.11Å; L395-N398 PolarHBondContact O-ND2 2.75Å; L395-L400 HydrophobicContact CB-CD1 4.29Å; L395-F410 HydrophobicContact CD1-CE1 4.33Å; L395-D420 CarbonylContact C-O 3.08Å; L395-D420 WeakPolarHBondContact CA-O 3.06Å; L395-D420 PolarHBondContact N-O 3.35Å; L395-L421 HydrophobicContact CB-CD2 3.97Å; L395-L421 HydrophobicContact CD1-CD2 4.11Å; L395-N424 PolarHBondContact O-ND2 3.09Å
396	S	98.8	Very high	97.3	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.028	23%	0.226	C	C	.	.			trans	-65.5	158	-178.2	64	0	0	0	0	113	L372 H373 N394 N398 D420 S422	L372-S396 CarbonylContact C-O 3.59Å; L372-S396 WeakPolarHBondContact CA-O 3.27Å; L372-S396 VanDerWaalsContact CB-O 3.27Å; L372-S396 WeakPolarHBondContact CB-O 3.49Å; L372-S396 WeakPolarHBondContact CB-OG 3.19Å; H373-S396 PolarHBondContact N-O 2.68Å; N394-S396 VanDerWaalsContact OD1-CB 3.3Å; N394-S396 WeakPolarHBondContact OD1-CB 3.44Å; N394-S396 PolarHBondContact OD1-N 3Å; N394-S396 PolarHBondContact OD1-OG 3.06Å; S396-N398 VanDerWaalsContact C-N 3.28Å; S396-N398 PolarHBondContact O-N 3.46Å; S396-N398 PolarHBondContact O-ND2 2.88Å; S396-N398 VanDerWaalsContact O-ND2 3.1Å; S396-D420 WeakPolarHBondContact CB-OD1 3.48Å; S396-D420 WeakPolarHBondContact CB-OD2 3.42Å; S396-D420 PolarHBondContact N-O 2.8Å; S396-D420 PolarHBondContact OG-OD2 3.31Å; S396-S422 CarbonylContact C-O 2.99Å; S396-S422 WeakPolarHBondContact CA-O 3.48Å; S396-S422 VanDerWaalsContact CB-O 3.31Å; S396-S422 WeakPolarHBondContact CB-O 3.5Å
397	Y	98.8	Very high	97.3	Very high	93 Å²	93	51.9 Å²	51.9	37%	0.365	24%	0.243	S	C	.	.	S	Bend	trans	51.3	46.2	178.1	-60.5	-82.9	0	0	0	113.1	H373 S422 G423	H373-Y397 WeakPolarHBondContact CA-O 3.34Å; H373-Y397 VanDerWaalsContact CE1-CB 3.49Å; H373-Y397 WeakPolarHBondContact CE1-CB 3.49Å; H373-Y397 AromaticContact CE1-CD1 3.96Å; H373-Y397 AromaticContact CE1-CD2 3.6Å; H373-Y397 AromaticContact CE1-CG 3.39Å; H373-Y397 PolarHBondContact N-O 3.27Å; H373-Y397 WeakPolarHBondContact ND1-CB 3.4Å; H373-Y397 AromaticContact ND1-CG 3.84Å; H373-Y397 AromaticContact NE2-CD2 3.63Å; H373-Y397 AromaticContact NE2-CG 3.91Å; Y397-S422 PolarHBondContact N-O 3.42Å; Y397-G423 WeakPolarHBondContact CA-O 3.12Å
398	N	98.8	Very high	97.4	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	25%	0.253	C	S	.	.	S	Bend	trans	-108.7	-158.2	173	-87.1	-76.1	0	0	0	110.1	L371 N374 F375 V376 L395 S396 L400 N424	L371-N398 PolarHBondContact O-ND2 3.43Å; N374-N398 WeakPolarHBondContact CA-OD1 3.18Å; N374-N398 WeakPolarHBondContact CB-OD1 3.29Å; N374-N398 PolarHBondContact N-OD1 2.76Å; N374-N398 PolarHBondContact O-OD1 3.21Å; F375-N398 PolarHBondContact N-OD1 3.05Å; V376-N398 HydrophobicContact CB-CB 4.19Å; V376-N398 VanDerWaalsContact CB-OD1 3.25Å; V376-N398 WeakPolarHBondContact CB-OD1 3.41Å; V376-N398 WeakPolarHBondContact CG2-OD1 3.27Å; V376-N398 PolarHBondContact N-OD1 3.01Å; L395-N398 PolarHBondContact O-ND2 2.75Å; S396-N398 VanDerWaalsContact C-N 3.28Å; S396-N398 PolarHBondContact O-N 3.46Å; S396-N398 PolarHBondContact O-ND2 2.88Å; S396-N398 VanDerWaalsContact O-ND2 3.1Å; N398-L400 HydrophobicContact CB-CG 4.37Å; N398-N424 VanDerWaalsContact CA-OD1 3.29Å; N398-N424 WeakPolarHBondContact CA-OD1 3.35Å; N398-N424 WeakPolarHBondContact CB-OD1 3.14Å; N398-N424 PolarHBondContact N-OD1 3.09Å; N398-N424 PolarHBondContact O-OD1 2.97Å
399	K	98.3	Very high	97.5	Very high	124 Å²	124	48.3 Å²	48.3	54%	0.539	23%	0.232	S	C	.	.			trans	-121.1	29.2	-178.8	-56.8	-62.3	173.6	-164.2	0	112	V376 S377 N424	V376-K399 CarbonylContact O-C 3.39Å; V376-K399 VanDerWaalsContact O-C 3.29Å; V376-K399 WeakPolarHBondContact O-CA 3.44Å; V376-K399 PolarHBondContact O-N 3.25Å; S377-K399 WeakPolarHBondContact CA-O 3.29Å; K399-N424 PolarHBondContact N-OD1 3.04Å
400	L	98.4	Very high	97.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.			trans	-71.2	141.6	-175.6	-63.4	172	0	0	0	112	V376 I379 L395 N398 I405 L421 N424 A425 L426	V376-L400 HydrophobicContact CG1-CD2 3.96Å; V376-L400 PolarHBondContact O-N 3.28Å; I379-L400 HydrophobicContact CD1-CD1 3.96Å; I379-L400 HydrophobicContact CD1-CD2 3.96Å; I379-L400 HydrophobicContact CG1-CD2 3.72Å; L395-L400 HydrophobicContact CB-CD1 4.29Å; N398-L400 HydrophobicContact CB-CG 4.37Å; L400-I405 HydrophobicContact CB-CD1 4.28Å; L400-I405 HydrophobicContact CD2-CG1 4.43Å; L400-L421 HydrophobicContact CD1-CD2 4.1Å; L400-N424 HydrophobicContact CB-CB 4.14Å; L400-N424 VanDerWaalsContact CB-OD1 3.31Å; L400-N424 WeakPolarHBondContact CB-OD1 3.21Å; L400-N424 WeakPolarHBondContact CG-OD1 3.25Å; L400-N424 PolarHBondContact N-OD1 3.02Å; L400-A425 CarbonylContact O-C 3.04Å; L400-A425 WeakPolarHBondContact O-CA 3.11Å; L400-A425 PolarHBondContact O-N 2.82Å; L400-L426 HydrophobicContact CB-CD2 4.37Å
401	T	97.4	Very high	97.3	Very high	35 Å²	35	54.4 Å²	54.4	22%	0.215	25%	0.252	C	S	.	.			trans	-130.7	154.1	171.2	64.9	0	0	0	0	109.8	T403 K404 I405 A425	T401-T403 VanDerWaalsContact C-N 3.26Å; T401-T403 PolarHBondContact O-N 3.19Å; T401-T403 PolarHBondContact OG1-OG1 3Å; T401-K404 PolarHBondContact O-N 3.13Å; T401-I405 PolarHBondContact O-N 3.24Å; T401-A425 HydrophobicContact CG2-CB 4.03Å
402	N	95.6	Very high	97.1	Very high	46 Å²	46	57.2 Å²	57.2	25%	0.246	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-54.5	-39.4	179.6	-73.1	83.4	0	0	0	113.7	K404 I405 L426 H427 A428	N402-K404 PolarHBondContact O-N 3.01Å; N402-I405 PolarHBondContact O-N 3.29Å; N402-L426 WeakPolarHBondContact OD1-CA 3.47Å; N402-H427 PolarHBondContact OD1-N 3.43Å; N402-A428 PolarHBondContact ND2-O 3.34Å; N402-A428 PolarHBondContact OD1-N 2.97Å; N402-A428 VanDerWaalsContact OD1-N 3.09Å; N402-A428 PolarHBondContact OD1-O 3.42Å
403	T	95.6	Very high	97.1	Very high	132 Å²	132	54.1 Å²	54.1	81%	0.81	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-67.7	-18.3	-178.3	52.3	0	0	0	0	113.8	T401	T401-T403 VanDerWaalsContact C-N 3.26Å; T401-T403 PolarHBondContact O-N 3.19Å; T401-T403 PolarHBondContact OG1-OG1 3Å
404	K	97.1	Very high	96.9	Very high	102 Å²	102	62.8 Å²	62.8	44%	0.443	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-107.7	2.8	-177.9	-67.3	-170.9	174.1	-173.4	0	113.5	S377 E378 I379 T401 N402	S377-K404 WeakPolarHBondContact O-CB 3.48Å; S377-K404 WeakPolarHBondContact O-CD 3.47Å; E378-K404 WeakPolarHBondContact CA-O 3.44Å; E378-K404 HydrophobicContact CB-CB 3.9Å; E378-K404 HydrophobicContact CB-CD 4.42Å; E378-K404 WeakPolarHBondContact CB-O 3.35Å; I379-K404 PolarHBondContact N-O 2.85Å; T401-K404 PolarHBondContact O-N 3.13Å; N402-K404 PolarHBondContact O-N 3.01Å
405	I	97.3	Very high	96.8	Very high	18 Å²	18	65.8 Å²	65.8	9%	0.092	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-100.9	117.5	170.1	-61.9	174.3	0	0	0	107.9	L400 T401 N402 A409 F410 L426 P430	L400-I405 HydrophobicContact CB-CD1 4.28Å; L400-I405 HydrophobicContact CD2-CG1 4.43Å; T401-I405 PolarHBondContact O-N 3.24Å; N402-I405 PolarHBondContact O-N 3.29Å; I405-A409 HydrophobicContact CG2-CB 4.35Å; I405-F410 HydrophobicContact CG2-CE2 3.88Å; I405-L426 HydrophobicContact CD1-CD2 3.73Å; I405-P430 HydrophobicContact CD1-CG 4.05Å; I405-P430 HydrophobicContact CG2-CB 4.44Å
406	H	96.9	Very high	96.8	Very high	68 Å²	68	65.8 Å²	65.8	32%	0.315	29%	0.294	S	S	.	.			trans	-69.5	138.1	176	-172	-85.1	0	0	0	110.8	I379 D408 A409	I379-H406 PolarHBondContact O-N 3.44Å; H406-D408 PolarHBondContact ND1-N 2.98Å; H406-D408 VanDerWaalsContact ND1-N 3.11Å; H406-D408 PolarHBondContact O-N 2.95Å; H406-A409 HydrophobicContact CB-CB 4.41Å; H406-A409 WeakPolarHBondContact O-CB 3.45Å; H406-A409 PolarHBondContact O-N 2.97Å
407	R	93	Very high	96.8	Very high	187 Å²	187	69.1 Å²	69.1	71%	0.706	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.2	-178.6	62.8	178.7	144.8	-171.7	-7.4	115.8
408	D	95.4	Very high	96.8	Very high	41 Å²	41	66.7 Å²	66.7	22%	0.219	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	4.5	178.3	-74.7	-15.1	0	0	0	113.2	R381 H406 F410 R411	R381-D408 HydrophobicContact CG-CB 4.09Å; R381-D408 IonicContact CZ-OD2 3.73Å; R381-D408 IonicContact NE-OD2 3.29Å; R381-D408 PolarHBondContact NE-OD2 2.78Å; R381-D408 IonicContact NH2-OD2 3.32Å; R381-D408 PolarHBondContact NH2-OD2 3.48Å; H406-D408 PolarHBondContact ND1-N 2.98Å; H406-D408 VanDerWaalsContact ND1-N 3.11Å; H406-D408 PolarHBondContact O-N 2.95Å; D408-F410 VanDerWaalsContact C-N 3.26Å; D408-F410 PolarHBondContact O-N 2.81Å; D408-R411 HydrophobicContact CB-CB 4.39Å; D408-R411 VanDerWaalsContact O-CB 3.24Å; D408-R411 WeakPolarHBondContact O-CB 3.26Å; D408-R411 PolarHBondContact O-N 2.97Å; D408-R411 VanDerWaalsContact O-N 3.11Å
409	A	96.7	Very high	96.8	Very high	2 Å²	2	66.6 Å²	66.6	2%	0.017	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-39.3	-170.4	0	0	0	0	0	113.3	I379 I405 H406	I379-A409 HydrophobicContact CB-CB 4.38Å; I379-A409 HydrophobicContact CG2-CB 3.73Å; I405-A409 HydrophobicContact CG2-CB 4.35Å; H406-A409 HydrophobicContact CB-CB 4.41Å; H406-A409 WeakPolarHBondContact O-CB 3.45Å; H406-A409 PolarHBondContact O-N 2.97Å
410	F	96.6	Very high	96.9	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.5	-177.6	-53.7	-77.2	0	0	0	113.7	I379 L384 L393 L395 I405 D408 K412 L413 L433 P434	I379-F410 HydrophobicContact CD1-CE1 4.38Å; I379-F410 HydrophobicContact CD1-CZ 3.94Å; L384-F410 HydrophobicContact CD1-CD1 3.86Å; L384-F410 HydrophobicContact CD1-CE1 3.76Å; L393-F410 HydrophobicContact CD2-CD1 4.46Å; L393-F410 HydrophobicContact CD2-CE1 4.16Å; L395-F410 HydrophobicContact CD1-CE1 4.33Å; I405-F410 HydrophobicContact CG2-CE2 3.88Å; D408-F410 VanDerWaalsContact C-N 3.26Å; D408-F410 PolarHBondContact O-N 2.81Å; F410-K412 PolarHBondContact O-N 2.96Å; F410-L413 HydrophobicContact CB-CD1 4.33Å; F410-L413 HydrophobicContact CD1-CD1 3.81Å; F410-L413 WeakPolarHBondContact O-CB 3.41Å; F410-L413 PolarHBondContact O-N 3.38Å; F410-L433 HydrophobicContact CD2-CD2 3.81Å; F410-L433 HydrophobicContact CE2-CD2 3.95Å; F410-L433 HydrophobicContact CG-CD2 4.41Å; F410-P434 HydrophobicContact CB-CG 3.96Å
411	R	94.6	Very high	96.9	Very high	158 Å²	158	61.4 Å²	61.4	60%	0.596	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.9	-170.2	-177.9	177.2	175.1	-170.3	0	114.6	D408	D408-R411 HydrophobicContact CB-CB 4.39Å; D408-R411 VanDerWaalsContact O-CB 3.24Å; D408-R411 WeakPolarHBondContact O-CB 3.26Å; D408-R411 PolarHBondContact O-N 2.97Å; D408-R411 VanDerWaalsContact O-N 3.11Å
412	K	95.5	Very high	97	Very high	99 Å²	99	59.7 Å²	59.7	43%	0.43	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-11.8	-178.4	-64.9	-62.8	-172.4	175.2	0	114	F410 R414	F410-K412 PolarHBondContact O-N 2.96Å; K412-R414 PolarHBondContact O-N 2.83Å
413	L	97.1	Very high	97.1	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	27%	0.268	C	S	.	.			trans	-82.1	60	-178	-49.8	-176.6	0	0	0	110.8	L384 L387 L390 L393 F410 I415 L416 P434	L384-L413 HydrophobicContact CB-CD1 4.44Å; L384-L413 HydrophobicContact CB-CD2 4.28Å; L384-L413 HydrophobicContact CD1-CD1 4.22Å; L387-L413 HydrophobicContact CB-CD2 3.73Å; L387-L413 WeakPolarHBondContact O-CD2 3.38Å; L390-L413 HydrophobicContact CB-CD2 4.37Å; L390-L413 HydrophobicContact CD2-CD2 4.37Å; L393-L413 HydrophobicContact CD2-CD1 4.01Å; F410-L413 HydrophobicContact CB-CD1 4.33Å; F410-L413 HydrophobicContact CD1-CD1 3.81Å; F410-L413 WeakPolarHBondContact O-CB 3.41Å; F410-L413 PolarHBondContact O-N 3.38Å; L413-I415 PolarHBondContact O-N 2.93Å; L413-L416 HydrophobicContact CB-CB 3.94Å; L413-L416 HydrophobicContact CB-CD2 4.28Å; L413-L416 HydrophobicContact CD1-CD2 3.9Å; L413-L416 WeakPolarHBondContact O-CB 3.07Å; L413-L416 PolarHBondContact O-N 3.15Å; L413-P434 HydrophobicContact CB-CG 4.09Å; L413-P434 WeakPolarHBondContact O-CB 3.27Å
414	R	95.3	Very high	97.2	Very high	184 Å²	184	52.7 Å²	52.7	69%	0.694	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.5	-166.9	-67.2	179.3	177.1	179.6	-4.3	114.4	K412 S436	K412-R414 PolarHBondContact O-N 2.83Å; R414-S436 VanDerWaalsContact C-OG 3.31Å; R414-S436 WeakPolarHBondContact O-CB 3.18Å; R414-S436 PolarHBondContact O-OG 2.84Å
415	I	97.9	Very high	97.3	Very high	84 Å²	84	49.6 Å²	49.6	43%	0.431	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	16.7	-179.6	67.7	172.7	0	0	0	112.3	L390 T391 L413 E417	L390-I415 CarbonylContact O-C 3.38Å; T391-I415 HydrophobicContact CG2-CD1 4.25Å; T391-I415 HydrophobicContact CG2-CG1 4.41Å; L413-I415 PolarHBondContact O-N 2.93Å; I415-E417 WeakPolarHBondContact O-CG 3.36Å; I415-E417 PolarHBondContact O-N 3.32Å
416	L	98.6	Very high	97.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.221	C	C	.	.			trans	-65.4	122.4	178.2	-167.4	71.2	0	0	0	109.6	L390 L393 L413 L419 P434 S436 L437	L390-L416 HydrophobicContact CB-CD1 4.38Å; L390-L416 HydrophobicContact CD2-CD1 4.1Å; L390-L416 HydrophobicContact CG-CD1 4.12Å; L390-L416 VanDerWaalsContact O-CA 3.31Å; L390-L416 WeakPolarHBondContact O-CA 3.27Å; L390-L416 PolarHBondContact O-N 3.47Å; L393-L416 HydrophobicContact CB-CD1 3.85Å; L393-L416 HydrophobicContact CB-CD2 4.41Å; L413-L416 HydrophobicContact CB-CB 3.94Å; L413-L416 HydrophobicContact CB-CD2 4.28Å; L413-L416 HydrophobicContact CD1-CD2 3.9Å; L413-L416 WeakPolarHBondContact O-CB 3.07Å; L413-L416 PolarHBondContact O-N 3.15Å; L416-L419 HydrophobicContact CD2-CB 4.08Å; L416-L419 HydrophobicContact CD2-CD1 4.46Å; L416-L419 HydrophobicContact CD2-CD2 4.49Å; L416-P434 HydrophobicContact CB-CB 4.41Å; L416-P434 HydrophobicContact CB-CG 4.22Å; L416-P434 HydrophobicContact CD2-CG 4.09Å; L416-S436 PolarHBondContact N-OG 3.38Å; L416-S436 CarbonylContact O-C 3.49Å; L416-S436 WeakPolarHBondContact O-CB 3.49Å; L416-S436 PolarHBondContact O-OG 3.38Å; L416-L437 HydrophobicContact CB-CD2 4.34Å; L416-L437 HydrophobicContact CD2-CD2 3.95Å; L416-L437 HydrophobicContact CG-CD2 3.9Å; L416-L437 WeakPolarHBondContact O-CA 3.15Å; L416-L437 PolarHBondContact O-N 2.93Å; L416-L437 VanDerWaalsContact O-N 3.17Å
417	E	98.8	Very high	97.4	Very high	73 Å²	73	50.7 Å²	50.7	34%	0.341	23%	0.231	S	C	.	.			trans	-102.8	-37.4	-178.2	-53.5	-161.8	153.8	0	0	111.1	T391 I415 K438 V439	T391-E417 PolarHBondContact O-N 3.02Å; I415-E417 WeakPolarHBondContact O-CG 3.36Å; I415-E417 PolarHBondContact O-N 3.32Å; E417-K438 HydrophobicContact CB-CD 4.26Å; E417-K438 HydrophobicContact CB-CG 4.33Å; E417-K438 PolarHBondContact O-N 2.85Å; E417-K438 WeakPolarHBondContact OE1-CE 3.31Å; E417-K438 IonicContact OE1-NZ 3.38Å; E417-K438 PolarHBondContact OE1-NZ 3.09Å; E417-K438 IonicContact OE2-NZ 3.79Å; E417-K438 PolarHBondContact OE2-NZ 3.37Å; E417-V439 PolarHBondContact O-N 2.99Å
418	T	98.9	Very high	97.6	Very high	43 Å²	43	42.7 Å²	42.7	26%	0.264	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.9	-178	-58.4	0	0	0	0	110.6	T391 E392 L393 V439	T391-T418 PolarHBondContact O-N 2.92Å; E392-T418 HydrophobicContact CG-CG2 4.26Å; L393-T418 PolarHBondContact N-O 2.89Å; T418-V439 WeakPolarHBondContact CA-O 3.05Å; T418-V439 HydrophobicContact CG2-CB 4.2Å; T418-V439 HydrophobicContact CG2-CG1 4.41Å
419	L	98.9	Very high	97.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123.6	173.1	176.9	60.7	0	0	0	110.6	L393 L416 L421 L433 L437 V439 L440 E441	L393-L419 HydrophobicContact CB-CD1 4.09Å; L393-L419 HydrophobicContact CD2-CD1 4Å; L393-L419 HydrophobicContact CG-CD1 3.98Å; L393-L419 WeakPolarHBondContact O-CA 3.41Å; L416-L419 HydrophobicContact CD2-CB 4.08Å; L416-L419 HydrophobicContact CD2-CD1 4.46Å; L416-L419 HydrophobicContact CD2-CD2 4.49Å; L419-L421 HydrophobicContact CD1-CD2 4.24Å; L419-L421 HydrophobicContact CD1-CG 4.18Å; L419-L421 HydrophobicContact CD2-CD1 4.07Å; L419-L421 HydrophobicContact CD2-CG 4.3Å; L419-L421 HydrophobicContact CG-CD1 4.36Å; L419-L421 HydrophobicContact CG-CG 4.06Å; L419-L433 HydrophobicContact CD2-CD2 3.71Å; L419-L437 HydrophobicContact CB-CD1 4.25Å; L419-L437 HydrophobicContact CB-CD2 3.6Å; L419-L437 HydrophobicContact CD2-CD1 4.26Å; L419-V439 PolarHBondContact N-O 3.42Å; L419-L440 HydrophobicContact CB-CD1 4.18Å; L419-L440 HydrophobicContact CD2-CD1 4.09Å; L419-L440 HydrophobicContact CG-CD1 4.15Å; L419-L440 WeakPolarHBondContact O-CA 3.13Å; L419-E441 PolarHBondContact O-N 3.03Å
420	D	98.9	Very high	97.6	Very high	15 Å²	15	41 Å²	41	8%	0.08	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.5	174.8	-176.9	2.8	0	0	0	110.5	L393 N394 L395 S396 S422 E441	L393-D420 PolarHBondContact O-N 2.83Å; L393-D420 VanDerWaalsContact O-N 3.09Å; N394-D420 HydrophobicContact CB-CB 4.44Å; N394-D420 PolarHBondContact ND2-OD2 2.9Å; N394-D420 PolarHBondContact OD1-OD2 2.92Å; L395-D420 CarbonylContact C-O 3.08Å; L395-D420 WeakPolarHBondContact CA-O 3.06Å; L395-D420 PolarHBondContact N-O 3.35Å; S396-D420 WeakPolarHBondContact CB-OD1 3.48Å; S396-D420 WeakPolarHBondContact CB-OD2 3.42Å; S396-D420 PolarHBondContact N-O 2.8Å; S396-D420 PolarHBondContact OG-OD2 3.31Å; D420-S422 WeakPolarHBondContact OD1-CB 3.45Å; D420-S422 PolarHBondContact OD1-N 2.54Å; D420-S422 PolarHBondContact OD1-OG 2.83Å; D420-E441 HydrophobicContact CB-CB 4.4Å
421	L	98.8	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.			trans	-116.9	15.8	177.4	-65.9	172.6	0	0	0	111.9	L395 L400 L419 N424 L426 P430 E441 I442 N445	L395-L421 HydrophobicContact CB-CD2 3.97Å; L395-L421 HydrophobicContact CD1-CD2 4.11Å; L400-L421 HydrophobicContact CD1-CD2 4.1Å; L419-L421 HydrophobicContact CD1-CD2 4.24Å; L419-L421 HydrophobicContact CD1-CG 4.18Å; L419-L421 HydrophobicContact CD2-CD1 4.07Å; L419-L421 HydrophobicContact CD2-CG 4.3Å; L419-L421 HydrophobicContact CG-CD1 4.36Å; L419-L421 HydrophobicContact CG-CG 4.06Å; L421-N424 PolarHBondContact O-ND2 3.04Å; L421-L426 HydrophobicContact CB-CD1 4.02Å; L421-L426 HydrophobicContact CD1-CD1 4.25Å; L421-P430 HydrophobicContact CD1-CG 4.2Å; L421-E441 PolarHBondContact N-O 3.33Å; L421-I442 HydrophobicContact CB-CG1 4.33Å; L421-I442 HydrophobicContact CB-CG2 4.25Å; L421-N445 PolarHBondContact O-ND2 3.03Å
422	S	98.8	Very high	97.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	156.2	-174.5	-55.1	0	0	0	0	113.2	S396 Y397 D420 N424 K443	S396-S422 CarbonylContact C-O 2.99Å; S396-S422 WeakPolarHBondContact CA-O 3.48Å; S396-S422 VanDerWaalsContact CB-O 3.31Å; S396-S422 WeakPolarHBondContact CB-O 3.5Å; Y397-S422 PolarHBondContact N-O 3.42Å; D420-S422 WeakPolarHBondContact OD1-CB 3.45Å; D420-S422 PolarHBondContact OD1-N 2.54Å; D420-S422 PolarHBondContact OD1-OG 2.83Å; S422-N424 VanDerWaalsContact C-N 3.27Å; S422-N424 PolarHBondContact O-N 3.33Å; S422-N424 PolarHBondContact O-ND2 3Å; S422-K443 CarbonylContact C-O 3.51Å; S422-K443 WeakPolarHBondContact CA-O 3.3Å; S422-K443 VanDerWaalsContact CB-CG 3.44Å; S422-K443 WeakPolarHBondContact CB-O 3.43Å; S422-K443 VanDerWaalsContact OG-CG 3.26Å; S422-K443 WeakPolarHBondContact OG-CG 3.35Å; S422-K443 PolarHBondContact OG-N 3.27Å
423	G	98.6	Very high	97.3	Very high	17 Å²	17	34.9 Å²	34.9	18%	0.175	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	26.4	173	0	0	0	0	0	114.7	Y397 K443 N444 N445	Y397-G423 WeakPolarHBondContact CA-O 3.12Å; G423-K443 PolarHBondContact N-O 2.85Å; G423-N444 WeakPolarHBondContact CA-O 3.45Å; G423-N444 PolarHBondContact N-O 3.21Å; G423-N445 PolarHBondContact N-ND2 2.74Å
424	N	98.8	Very high	97.3	Very high	14 Å²	14	35.4 Å²	35.4	8%	0.075	19%	0.191	C	C	.	.	S	Bend	trans	-104.7	-166.9	175.3	-80	-77.7	0	0	0	110.5	L395 N398 K399 L400 L421 S422 L426 N445	L395-N424 PolarHBondContact O-ND2 3.09Å; N398-N424 VanDerWaalsContact CA-OD1 3.29Å; N398-N424 WeakPolarHBondContact CA-OD1 3.35Å; N398-N424 WeakPolarHBondContact CB-OD1 3.14Å; N398-N424 PolarHBondContact N-OD1 3.09Å; N398-N424 PolarHBondContact O-OD1 2.97Å; K399-N424 PolarHBondContact N-OD1 3.04Å; L400-N424 HydrophobicContact CB-CB 4.14Å; L400-N424 VanDerWaalsContact CB-OD1 3.31Å; L400-N424 WeakPolarHBondContact CB-OD1 3.21Å; L400-N424 WeakPolarHBondContact CG-OD1 3.25Å; L400-N424 PolarHBondContact N-OD1 3.02Å; L421-N424 PolarHBondContact O-ND2 3.04Å; S422-N424 VanDerWaalsContact C-N 3.27Å; S422-N424 PolarHBondContact O-N 3.33Å; S422-N424 PolarHBondContact O-ND2 3Å; N424-L426 HydrophobicContact CB-CG 4.18Å; N424-N445 VanDerWaalsContact CA-OD1 3.31Å; N424-N445 WeakPolarHBondContact CA-OD1 3.43Å; N424-N445 VanDerWaalsContact CB-OD1 3.27Å; N424-N445 WeakPolarHBondContact CB-OD1 3.37Å; N424-N445 PolarHBondContact N-OD1 3.1Å; N424-N445 PolarHBondContact O-OD1 3.05Å; N424-N445 VanDerWaalsContact O-OD1 3.09Å
425	A	97.9	Very high	97.3	Very high	36 Å²	36	32.2 Å²	32.2	30%	0.298	18%	0.184	S	C	.	.			trans	-114.4	40.9	177.5	0	0	0	0	0	111.8	L400 T401 H427 N445	L400-A425 CarbonylContact O-C 3.04Å; L400-A425 WeakPolarHBondContact O-CA 3.11Å; L400-A425 PolarHBondContact O-N 2.82Å; T401-A425 HydrophobicContact CG2-CB 4.03Å; A425-H427 PolarHBondContact O-ND1 3.39Å; A425-H427 VanDerWaalsContact O-ND1 3.17Å; A425-N445 PolarHBondContact N-OD1 3.23Å
426	L	98.3	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.			trans	-75.9	132.8	178.9	-58.3	175.5	0	0	0	110.7	L400 N402 I405 L421 N424 P430 I442 N445 Q446 L447	L400-L426 HydrophobicContact CB-CD2 4.37Å; N402-L426 WeakPolarHBondContact OD1-CA 3.47Å; I405-L426 HydrophobicContact CD1-CD2 3.73Å; L421-L426 HydrophobicContact CB-CD1 4.02Å; L421-L426 HydrophobicContact CD1-CD1 4.25Å; N424-L426 HydrophobicContact CB-CG 4.18Å; L426-P430 HydrophobicContact CD1-CG 4.38Å; L426-I442 HydrophobicContact CD1-CG2 3.82Å; L426-N445 HydrophobicContact CB-CB 4.4Å; L426-N445 VanDerWaalsContact CB-OD1 3.3Å; L426-N445 WeakPolarHBondContact CB-OD1 3.27Å; L426-N445 WeakPolarHBondContact CG-OD1 3.47Å; L426-N445 PolarHBondContact N-OD1 2.93Å; L426-Q446 CarbonylContact O-C 3.29Å; L426-Q446 WeakPolarHBondContact O-CA 3.28Å; L426-Q446 WeakPolarHBondContact O-CB 3.4Å; L426-Q446 PolarHBondContact O-N 2.99Å; L426-L447 HydrophobicContact CB-CD2 3.89Å; L426-L447 PolarHBondContact O-N 3.36Å; L426-L447 VanDerWaalsContact O-N 3.14Å
427	H	97.5	Very high	97.3	Very high	110 Å²	110	29.1 Å²	29.1	51%	0.509	17%	0.17	S	C	.	.	S	Bend	trans	-99.5	-18	176.6	-65.2	74.3	0	0	0	112.8	N402 A425 Q446 L447 S448	N402-H427 PolarHBondContact OD1-N 3.43Å; A425-H427 PolarHBondContact O-ND1 3.39Å; A425-H427 VanDerWaalsContact O-ND1 3.17Å; H427-Q446 WeakPolarHBondContact CA-O 3.35Å; H427-L447 WeakPolarHBondContact O-CA 3.48Å; H427-S448 PolarHBondContact O-N 2.83Å; H427-S448 PolarHBondContact O-OG 2.86Å
428	A	97.6	Very high	97.3	Very high	19 Å²	19	28.6 Å²	28.6	16%	0.157	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-147.2	160.8	175.3	0	0	0	0	0	110.9	N402 L447 A449 P451	N402-A428 PolarHBondContact ND2-O 3.34Å; N402-A428 PolarHBondContact OD1-N 2.97Å; N402-A428 VanDerWaalsContact OD1-N 3.09Å; N402-A428 PolarHBondContact OD1-O 3.42Å; A428-L447 VanDerWaalsContact CA-CD2 3.5Å; A428-L447 WeakPolarHBondContact O-CD2 3.31Å; A428-A449 WeakPolarHBondContact CA-O 3.19Å; A428-A449 WeakPolarHBondContact CB-O 3.29Å; A428-P451 HydrophobicContact CB-CG 4.27Å
429	I	96.6	Very high	97.3	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-64.3	129.2	170.6	-59.6	-169.6	0	0	0	108.5	L433 I442 L447 A449 I450 A454 L455 L466	I429-L433 HydrophobicContact CG2-CD1 3.76Å; I429-I442 HydrophobicContact CB-CD1 4.48Å; I429-I442 HydrophobicContact CD1-CD1 4.31Å; I429-I442 HydrophobicContact CG1-CD1 4.03Å; I429-I442 HydrophobicContact CG2-CD1 4.09Å; I429-L447 HydrophobicContact CG1-CD1 4.19Å; I429-A449 PolarHBondContact N-O 3.03Å; I429-I450 HydrophobicContact CD1-CB 4.46Å; I429-I450 HydrophobicContact CD1-CD1 4.15Å; I429-I450 HydrophobicContact CD1-CG1 3.88Å; I429-I450 HydrophobicContact CD1-CG2 4.02Å; I429-I450 HydrophobicContact CG1-CG1 4.19Å; I429-A454 HydrophobicContact CB-CB 4.15Å; I429-A454 HydrophobicContact CG2-CB 4.06Å; I429-L455 HydrophobicContact CD1-CD1 4.32Å; I429-L455 HydrophobicContact CD1-CD2 4.1Å; I429-L455 HydrophobicContact CD1-CG 4.38Å; I429-L455 HydrophobicContact CG2-CD2 4.47Å; I429-L466 HydrophobicContact CD1-CD1 4.33Å; I429-L466 HydrophobicContact CD1-CD2 4.01Å
430	P	95.3	Very high	97.3	Very high	7 Å²	7	28 Å²	28	5%	0.045	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-60.3	141.8	177.8	-23	33.7	0	0	0	112.1	I405 L421 L426 L433	I405-P430 HydrophobicContact CD1-CG 4.05Å; I405-P430 HydrophobicContact CG2-CB 4.44Å; L421-P430 HydrophobicContact CD1-CG 4.2Å; L426-P430 HydrophobicContact CD1-CG 4.38Å; P430-L433 HydrophobicContact CB-CD2 4.36Å; P430-L433 WeakPolarHBondContact O-CG 3.3Å
431	L	92.6	Very high	97.3	Very high	84 Å²	84	28.8 Å²	28.8	44%	0.44	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	151.3	171.5	-63.3	176.3	0	0	0	110.7	P451 A454	L431-P451 HydrophobicContact CD2-CB 4.36Å; L431-P451 HydrophobicContact CD2-CG 4.12Å; L431-A454 HydrophobicContact CD2-CB 3.95Å
432	G	92.6	Very high	97.3	Very high	38 Å²	38	28.8 Å²	28.8	39%	0.392	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	24	174.8	0	0	0	0	0	114.5
433	L	96.4	Very high	97.2	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	18%	0.178	C	C	.	.			trans	-63.6	149.2	168.7	-64.1	-179.4	0	0	0	110.7	F410 L419 I429 P430 H435 L437 L440	F410-L433 HydrophobicContact CD2-CD2 3.81Å; F410-L433 HydrophobicContact CE2-CD2 3.95Å; F410-L433 HydrophobicContact CG-CD2 4.41Å; L419-L433 HydrophobicContact CD2-CD2 3.71Å; I429-L433 HydrophobicContact CG2-CD1 3.76Å; P430-L433 HydrophobicContact CB-CD2 4.36Å; P430-L433 WeakPolarHBondContact O-CG 3.3Å; L433-H435 PolarHBondContact O-N 3.3Å; L433-L437 HydrophobicContact CB-CD1 4.26Å; L433-L440 HydrophobicContact CD1-CD1 4.25Å; L433-L440 HydrophobicContact CD1-CD2 3.77Å
434	P	96	Very high	97.2	Very high	12 Å²	12	34 Å²	34	8%	0.078	19%	0.187	C	C	.	.			trans	-68.2	133.2	-179.4	-19.9	33.9	0	0	0	112.4	F410 L413 L416 S436 L437	F410-P434 HydrophobicContact CB-CG 3.96Å; L413-P434 HydrophobicContact CB-CG 4.09Å; L413-P434 WeakPolarHBondContact O-CB 3.27Å; L416-P434 HydrophobicContact CB-CB 4.41Å; L416-P434 HydrophobicContact CB-CG 4.22Å; L416-P434 HydrophobicContact CD2-CG 4.09Å; P434-S436 PolarHBondContact O-N 2.72Å; P434-S436 VanDerWaalsContact O-N 3.16Å; P434-L437 HydrophobicContact CB-CG 4.49Å; P434-L437 VanDerWaalsContact O-CG 3.31Å; P434-L437 WeakPolarHBondContact O-CG 3.31Å; P434-L437 PolarHBondContact O-N 3.39Å
435	H	96.1	Very high	97.2	Very high	116 Å²	116	33.6 Å²	33.6	54%	0.537	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-6.9	176.9	-55.9	176.3	0	0	0	113.5	L433 L437	L433-H435 PolarHBondContact O-N 3.3Å; H435-L437 VanDerWaalsContact C-N 3.28Å
436	S	97.6	Very high	97.2	Very high	20 Å²	20	35.4 Å²	35.4	14%	0.14	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11.8	176.4	36.1	0	0	0	0	114.1	R414 L416 P434 K438	R414-S436 VanDerWaalsContact C-OG 3.31Å; R414-S436 WeakPolarHBondContact O-CB 3.18Å; R414-S436 PolarHBondContact O-OG 2.84Å; L416-S436 PolarHBondContact N-OG 3.38Å; L416-S436 CarbonylContact O-C 3.49Å; L416-S436 WeakPolarHBondContact O-CB 3.49Å; L416-S436 PolarHBondContact O-OG 3.38Å; P434-S436 PolarHBondContact O-N 2.72Å; P434-S436 VanDerWaalsContact O-N 3.16Å; S436-K438 PolarHBondContact O-N 3Å
437	L	98.6	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.			trans	-58.5	134.3	-176.7	-73.4	172	0	0	0	111.6	L416 L419 L433 P434 H435 L440 M458 K460 L461	L416-L437 HydrophobicContact CB-CD2 4.34Å; L416-L437 HydrophobicContact CD2-CD2 3.95Å; L416-L437 HydrophobicContact CG-CD2 3.9Å; L416-L437 WeakPolarHBondContact O-CA 3.15Å; L416-L437 PolarHBondContact O-N 2.93Å; L416-L437 VanDerWaalsContact O-N 3.17Å; L419-L437 HydrophobicContact CB-CD1 4.25Å; L419-L437 HydrophobicContact CB-CD2 3.6Å; L419-L437 HydrophobicContact CD2-CD1 4.26Å; L433-L437 HydrophobicContact CB-CD1 4.26Å; P434-L437 HydrophobicContact CB-CG 4.49Å; P434-L437 VanDerWaalsContact O-CG 3.31Å; P434-L437 WeakPolarHBondContact O-CG 3.31Å; P434-L437 PolarHBondContact O-N 3.39Å; H435-L437 VanDerWaalsContact C-N 3.28Å; L437-L440 HydrophobicContact CD1-CD1 4.4Å; L437-M458 HydrophobicContact CB-CE 3.65Å; L437-M458 HydrophobicContact CD1-CE 3.55Å; L437-M458 HydrophobicContact CG-CE 4.16Å; L437-K460 CarbonylContact O-C 3.02Å; L437-K460 VanDerWaalsContact O-C 3.23Å; L437-L461 HydrophobicContact CB-CD1 4.14Å; L437-L461 VanDerWaalsContact O-CA 3.24Å; L437-L461 WeakPolarHBondContact O-CA 3.09Å; L437-L461 PolarHBondContact O-N 2.87Å; L437-L461 VanDerWaalsContact O-N 3.15Å
438	K	98.8	Very high	97.2	Very high	62 Å²	62	33.1 Å²	33.1	27%	0.27	18%	0.184	S	C	.	.	S	Bend	trans	-102.9	-34	169.3	-61.7	-179.8	-171.7	160.5	0	111.3	E417 S436 K460 Q462 K463	E417-K438 HydrophobicContact CB-CD 4.26Å; E417-K438 HydrophobicContact CB-CG 4.33Å; E417-K438 PolarHBondContact O-N 2.85Å; E417-K438 WeakPolarHBondContact OE1-CE 3.31Å; E417-K438 IonicContact OE1-NZ 3.38Å; E417-K438 PolarHBondContact OE1-NZ 3.09Å; E417-K438 IonicContact OE2-NZ 3.79Å; E417-K438 PolarHBondContact OE2-NZ 3.37Å; S436-K438 PolarHBondContact O-N 3Å; K438-K460 WeakPolarHBondContact CA-O 3.35Å; K438-Q462 PolarHBondContact O-N 3.47Å; K438-K463 PolarHBondContact O-N 2.94Å
439	V	98.9	Very high	97.1	Very high	29 Å²	29	34 Å²	34	18%	0.176	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.2	179.9	-175.6	0	0	0	0	109.6	E417 T418 L419 E441 K463	E417-V439 PolarHBondContact O-N 2.99Å; T418-V439 WeakPolarHBondContact CA-O 3.05Å; T418-V439 HydrophobicContact CG2-CB 4.2Å; T418-V439 HydrophobicContact CG2-CG1 4.41Å; L419-V439 PolarHBondContact N-O 3.42Å; V439-E441 HydrophobicContact CG1-CG 4.06Å; V439-K463 WeakPolarHBondContact CA-O 3.22Å; V439-K463 HydrophobicContact CG1-CB 4.25Å; V439-K463 HydrophobicContact CG1-CD 4.15Å; V439-K463 HydrophobicContact CG1-CG 4.38Å; V439-K463 HydrophobicContact CG2-CB 4.23Å
440	L	98.8	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.4	173.5	178.7	58.9	0	0	0	109.7	L419 L433 L437 I442 L455 M458 L461 K463 L464 I465	L419-L440 HydrophobicContact CB-CD1 4.18Å; L419-L440 HydrophobicContact CD2-CD1 4.09Å; L419-L440 HydrophobicContact CG-CD1 4.15Å; L419-L440 WeakPolarHBondContact O-CA 3.13Å; L433-L440 HydrophobicContact CD1-CD1 4.25Å; L433-L440 HydrophobicContact CD1-CD2 3.77Å; L437-L440 HydrophobicContact CD1-CD1 4.4Å; L440-I442 HydrophobicContact CD1-CD1 4.07Å; L440-I442 HydrophobicContact CD1-CG1 3.96Å; L440-I442 HydrophobicContact CD2-CD1 4.14Å; L440-I442 HydrophobicContact CG-CD1 4.1Å; L440-I442 HydrophobicContact CG-CG1 4.05Å; L440-L455 HydrophobicContact CD2-CD2 4.3Å; L440-M458 HydrophobicContact CD2-CE 4.34Å; L440-L461 HydrophobicContact CB-CD1 3.82Å; L440-K463 PolarHBondContact N-O 3.46Å; L440-L464 HydrophobicContact CB-CD1 4.05Å; L440-L464 HydrophobicContact CD2-CD1 3.94Å; L440-L464 HydrophobicContact CG-CD1 4.03Å; L440-I465 PolarHBondContact O-N 2.99Å
441	E	98.9	Very high	97	Very high	33 Å²	33	35.8 Å²	35.8	15%	0.154	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.1	176.4	-55.4	-161.1	174.4	0	0	110.5	L419 D420 L421 V439 K443 K463 I465	L419-E441 PolarHBondContact O-N 3.03Å; D420-E441 HydrophobicContact CB-CB 4.4Å; L421-E441 PolarHBondContact N-O 3.33Å; V439-E441 HydrophobicContact CG1-CG 4.06Å; E441-K443 IonicContact OE2-NZ 2.67Å; E441-K463 IonicContact OE1-NZ 3.67Å; E441-K463 PolarHBondContact OE1-NZ 3.3Å; E441-I465 HydrophobicContact CB-CB 4.37Å; E441-I465 HydrophobicContact CG-CB 4.14Å; E441-I465 HydrophobicContact CG-CG1 4.07Å
442	I	98.5	Very high	97	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.			trans	-135.9	41.1	175.9	-38.7	179.8	0	0	0	109.4	L421 L426 I429 L440 N445 L447 I465 L466 N469	L421-I442 HydrophobicContact CB-CG1 4.33Å; L421-I442 HydrophobicContact CB-CG2 4.25Å; L426-I442 HydrophobicContact CD1-CG2 3.82Å; I429-I442 HydrophobicContact CB-CD1 4.48Å; I429-I442 HydrophobicContact CD1-CD1 4.31Å; I429-I442 HydrophobicContact CG1-CD1 4.03Å; I429-I442 HydrophobicContact CG2-CD1 4.09Å; L440-I442 HydrophobicContact CD1-CD1 4.07Å; L440-I442 HydrophobicContact CD1-CG1 3.96Å; L440-I442 HydrophobicContact CD2-CD1 4.14Å; L440-I442 HydrophobicContact CG-CD1 4.1Å; L440-I442 HydrophobicContact CG-CG1 4.05Å; I442-N445 HydrophobicContact CG2-CB 4.32Å; I442-L447 HydrophobicContact CB-CD1 4.09Å; I442-L447 HydrophobicContact CG2-CD1 3.81Å; I442-L447 HydrophobicContact CG2-CD2 4.46Å; I442-L447 HydrophobicContact CG2-CG 4.35Å; I442-I465 PolarHBondContact N-O 3.02Å; I442-L466 HydrophobicContact CB-CD2 4.02Å; I442-L466 HydrophobicContact CD1-CD2 4.29Å; I442-L466 HydrophobicContact CG1-CD2 4.26Å; I442-N469 PolarHBondContact O-ND2 3.08Å
443	K	98	Very high	96.8	Very high	58 Å²	58	40.4 Å²	40.4	25%	0.252	21%	0.213	S	C	.	.			trans	-70.2	162.9	178.6	64.8	-176.6	174.8	-149.9	0	112	S422 G423 E441 N445 I465 S467	S422-K443 CarbonylContact C-O 3.51Å; S422-K443 WeakPolarHBondContact CA-O 3.3Å; S422-K443 VanDerWaalsContact CB-CG 3.44Å; S422-K443 WeakPolarHBondContact CB-O 3.43Å; S422-K443 VanDerWaalsContact OG-CG 3.26Å; S422-K443 WeakPolarHBondContact OG-CG 3.35Å; S422-K443 PolarHBondContact OG-N 3.27Å; G423-K443 PolarHBondContact N-O 2.85Å; E441-K443 IonicContact OE2-NZ 2.67Å; K443-N445 VanDerWaalsContact C-N 3.34Å; K443-N445 PolarHBondContact O-N 2.93Å; K443-N445 PolarHBondContact O-ND2 3.24Å; K443-I465 HydrophobicContact CB-CG2 4.3Å; K443-S467 CarbonylContact C-O 3.48Å; K443-S467 WeakPolarHBondContact CA-O 3.09Å; K443-S467 WeakPolarHBondContact CB-O 3.28Å; K443-S467 VanDerWaalsContact CB-OG 3.23Å; K443-S467 WeakPolarHBondContact CB-OG 3.27Å
444	N	98.4	Very high	96.7	Very high	68 Å²	68	40.3 Å²	40.3	36%	0.364	21%	0.213	S	C	.	.	S	Bend	trans	52.6	50.9	173	-70.3	-60.3	0	0	0	112.4	G423 S467 D468	G423-N444 WeakPolarHBondContact CA-O 3.45Å; G423-N444 PolarHBondContact N-O 3.21Å; N444-S467 PolarHBondContact N-O 2.95Å; N444-D468 VanDerWaalsContact CA-O 3.23Å; N444-D468 WeakPolarHBondContact CA-O 3.15Å; N444-D468 PolarHBondContact N-O 3.15Å; N444-D468 WeakPolarHBondContact OD1-CB 3.29Å
445	N	98.7	Very high	96.6	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.032	21%	0.209	C	C	.	.	S	Bend	trans	-123	-162	177.7	-91.3	-87.2	0	0	0	109.1	L421 G423 N424 A425 L426 I442 K443 L447 D468 N469	L421-N445 PolarHBondContact O-ND2 3.03Å; G423-N445 PolarHBondContact N-ND2 2.74Å; N424-N445 VanDerWaalsContact CA-OD1 3.31Å; N424-N445 WeakPolarHBondContact CA-OD1 3.43Å; N424-N445 VanDerWaalsContact CB-OD1 3.27Å; N424-N445 WeakPolarHBondContact CB-OD1 3.37Å; N424-N445 PolarHBondContact N-OD1 3.1Å; N424-N445 PolarHBondContact O-OD1 3.05Å; N424-N445 VanDerWaalsContact O-OD1 3.09Å; A425-N445 PolarHBondContact N-OD1 3.23Å; L426-N445 HydrophobicContact CB-CB 4.4Å; L426-N445 VanDerWaalsContact CB-OD1 3.3Å; L426-N445 WeakPolarHBondContact CB-OD1 3.27Å; L426-N445 WeakPolarHBondContact CG-OD1 3.47Å; L426-N445 PolarHBondContact N-OD1 2.93Å; I442-N445 HydrophobicContact CG2-CB 4.32Å; K443-N445 VanDerWaalsContact C-N 3.34Å; K443-N445 PolarHBondContact O-N 2.93Å; K443-N445 PolarHBondContact O-ND2 3.24Å; N445-L447 HydrophobicContact CB-CG 4.17Å; N445-D468 PolarHBondContact N-O 3.24Å; N445-N469 VanDerWaalsContact CA-OD1 3.28Å; N445-N469 WeakPolarHBondContact CA-OD1 3.2Å; N445-N469 WeakPolarHBondContact CB-OD1 3.26Å; N445-N469 PolarHBondContact N-OD1 3.04Å; N445-N469 PolarHBondContact O-OD1 2.91Å
446	Q	97.9	Very high	96.4	Very high	74 Å²	74	35.7 Å²	35.7	35%	0.346	20%	0.196	S	C	.	.			trans	-118.8	29.3	178	-56.7	-65.4	-1.8	0	0	111.3	L426 H427 S448 N469	L426-Q446 CarbonylContact O-C 3.29Å; L426-Q446 WeakPolarHBondContact O-CA 3.28Å; L426-Q446 WeakPolarHBondContact O-CB 3.4Å; L426-Q446 PolarHBondContact O-N 2.99Å; H427-Q446 WeakPolarHBondContact CA-O 3.35Å; Q446-S448 PolarHBondContact O-N 3.3Å; Q446-N469 PolarHBondContact N-OD1 3.02Å
447	L	98.1	Very high	96.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.			trans	-61.6	120.4	-172.4	-62.5	-179.1	0	0	0	110.8	L426 H427 A428 I429 I442 N445 L466 N469 K470 L471	L426-L447 HydrophobicContact CB-CD2 3.89Å; L426-L447 PolarHBondContact O-N 3.36Å; L426-L447 VanDerWaalsContact O-N 3.14Å; H427-L447 WeakPolarHBondContact O-CA 3.48Å; A428-L447 VanDerWaalsContact CA-CD2 3.5Å; A428-L447 WeakPolarHBondContact O-CD2 3.31Å; I429-L447 HydrophobicContact CG1-CD1 4.19Å; I442-L447 HydrophobicContact CB-CD1 4.09Å; I442-L447 HydrophobicContact CG2-CD1 3.81Å; I442-L447 HydrophobicContact CG2-CD2 4.46Å; I442-L447 HydrophobicContact CG2-CG 4.35Å; N445-L447 HydrophobicContact CB-CG 4.17Å; L447-L466 HydrophobicContact CD1-CD2 3.92Å; L447-N469 HydrophobicContact CB-CB 4Å; L447-N469 VanDerWaalsContact CB-OD1 3.25Å; L447-N469 WeakPolarHBondContact CB-OD1 3.37Å; L447-N469 WeakPolarHBondContact CG-OD1 3.44Å; L447-N469 PolarHBondContact N-OD1 3.14Å; L447-K470 CarbonylContact O-C 3.55Å; L447-K470 WeakPolarHBondContact O-CA 3.27Å; L447-K470 WeakPolarHBondContact O-CB 3.44Å; L447-K470 PolarHBondContact O-N 3.32Å; L447-L471 HydrophobicContact CB-CD2 4.11Å; L447-L471 HydrophobicContact CB-CG 4.5Å; L447-L471 PolarHBondContact O-N 3.22Å; L447-L471 VanDerWaalsContact O-N 3.15Å
448	S	96.6	Very high	96	Very high	62 Å²	62	36.5 Å²	36.5	43%	0.434	21%	0.207	S	C	.	.			trans	-117.2	-10.5	176.6	59.4	0	0	0	0	112.7	H427 Q446 S475	H427-S448 PolarHBondContact O-N 2.83Å; H427-S448 PolarHBondContact O-OG 2.86Å; Q446-S448 PolarHBondContact O-N 3.3Å; S448-S475 VanDerWaalsContact O-CB 3.28Å; S448-S475 WeakPolarHBondContact O-CB 3.29Å; S448-S475 PolarHBondContact O-OG 2.81Å
449	A	95.8	Very high	95.8	Very high	36 Å²	36	40 Å²	40	30%	0.298	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-148.6	148.9	178.5	0	0	0	0	0	112.3	A428 I429 S475	A428-A449 WeakPolarHBondContact CA-O 3.19Å; A428-A449 WeakPolarHBondContact CB-O 3.29Å; I429-A449 PolarHBondContact N-O 3.03Å; A449-S475 CarbonylContact C-O 3.57Å; A449-S475 WeakPolarHBondContact CA-O 3.46Å
450	I	96.4	Very high	95.7	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-114.5	96.3	167	-57.6	177.6	0	0	0	105.4	I429 A454 L455 L466 L471 S475 A476 Y477 W481	I429-I450 HydrophobicContact CD1-CB 4.46Å; I429-I450 HydrophobicContact CD1-CD1 4.15Å; I429-I450 HydrophobicContact CD1-CG1 3.88Å; I429-I450 HydrophobicContact CD1-CG2 4.02Å; I429-I450 HydrophobicContact CG1-CG1 4.19Å; I450-A454 HydrophobicContact CG2-CB 4.46Å; I450-L455 HydrophobicContact CG2-CD1 3.75Å; I450-L455 HydrophobicContact CG2-CG 4.07Å; I450-L466 HydrophobicContact CD1-CD1 3.91Å; I450-L471 HydrophobicContact CG1-CD2 4.2Å; I450-S475 PolarHBondContact N-O 2.84Å; I450-A476 HydrophobicContact CB-CB 4.33Å; I450-A476 HydrophobicContact CD1-CB 4.23Å; I450-Y477 HydrophobicContact CG2-CE1 4.41Å; I450-W481 HydrophobicContact CD1-CH2 3.29Å; I450-W481 HydrophobicContact CD1-CZ2 3.75Å; I450-W481 HydrophobicContact CD1-CZ3 4.08Å
451	P	94.5	Very high	95.7	Very high	42 Å²	42	44.6 Å²	44.6	27%	0.273	24%	0.242	S	C	.	.			trans	-67.1	152.7	-172.9	17.6	-20.8	0	0	0	111.7	A428 L431 G453 A454	A428-P451 HydrophobicContact CB-CG 4.27Å; L431-P451 HydrophobicContact CD2-CB 4.36Å; L431-P451 HydrophobicContact CD2-CG 4.12Å; P451-G453 PolarHBondContact O-N 3.3Å; P451-A454 HydrophobicContact CG-CB 4.05Å; P451-A454 WeakPolarHBondContact O-CB 3.39Å; P451-A454 PolarHBondContact O-N 2.86Å
452	Y	92	Very high	95.7	Very high	188 Å²	188	47.5 Å²	47.5	74%	0.737	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	131.6	176.7	-179.2	-95.6	0	0	0	111.1	A454 Y477	Y452-A454 VanDerWaalsContact C-N 3.29Å; Y452-A454 PolarHBondContact O-N 3.04Å; Y452-Y477 AromaticContact CD2-CD2 3.85Å; Y452-Y477 HydrophobicContact CD2-CD2 3.85Å; Y452-Y477 HydrophobicContact CD2-CE2 4.26Å; Y452-Y477 HydrophobicContact CD2-CG 4.07Å; Y452-Y477 HydrophobicContact CE2-CD2 4.38Å
453	G	88.9	Confident	95.7	Very high	31 Å²	31	51.2 Å²	51.2	32%	0.32	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-0.6	-178.4	0	0	0	0	0	115.4	P451 L455	P451-G453 PolarHBondContact O-N 3.3Å; G453-L455 VanDerWaalsContact C-N 3.33Å
454	A	93.8	Very high	95.7	Very high	5 Å²	5	48.4 Å²	48.4	4%	0.041	26%	0.26	C	S	.	.	S	Bend	trans	-67.9	-33.4	177.2	0	0	0	0	0	113	I429 L431 I450 P451 Y452	I429-A454 HydrophobicContact CB-CB 4.15Å; I429-A454 HydrophobicContact CG2-CB 4.06Å; L431-A454 HydrophobicContact CD2-CB 3.95Å; I450-A454 HydrophobicContact CG2-CB 4.46Å; P451-A454 HydrophobicContact CG-CB 4.05Å; P451-A454 WeakPolarHBondContact O-CB 3.39Å; P451-A454 PolarHBondContact O-N 2.86Å; Y452-A454 VanDerWaalsContact C-N 3.29Å; Y452-A454 PolarHBondContact O-N 3.04Å
455	L	94.4	Very high	95.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-112.5	-2.1	-179.8	-61.4	177.7	0	0	0	112.9	I429 L440 I450 G453 G457 M458 L464 L484	I429-L455 HydrophobicContact CD1-CD1 4.32Å; I429-L455 HydrophobicContact CD1-CD2 4.1Å; I429-L455 HydrophobicContact CD1-CG 4.38Å; I429-L455 HydrophobicContact CG2-CD2 4.47Å; L440-L455 HydrophobicContact CD2-CD2 4.3Å; I450-L455 HydrophobicContact CG2-CD1 3.75Å; I450-L455 HydrophobicContact CG2-CG 4.07Å; G453-L455 VanDerWaalsContact C-N 3.33Å; L455-G457 PolarHBondContact O-N 2.62Å; L455-M458 HydrophobicContact CB-SD 4.36Å; L455-M458 HydrophobicContact CD2-SD 3.72Å; L455-M458 WeakPolarHBondContact O-CB 3.33Å; L455-M458 VanDerWaalsContact O-CG 3.27Å; L455-M458 WeakPolarHBondContact O-CG 3.25Å; L455-M458 PolarHBondContact O-N 2.95Å; L455-L464 HydrophobicContact CD1-CD2 4.13Å; L455-L484 HydrophobicContact CB-CD2 4.37Å; L455-L484 HydrophobicContact CD1-CD1 4.37Å
456	A	91.8	Very high	95.8	Very high	32 Å²	32	45.5 Å²	45.5	26%	0.264	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	131.6	-173.7	0	0	0	0	0	111.8	M458 E483	A456-M458 VanDerWaalsContact C-N 3.3Å; A456-M458 PolarHBondContact O-N 3.3Å; A456-E483 WeakPolarHBondContact CA-OE2 3.48Å
457	G	90.9	Very high	95.8	Very high	35 Å²	35	42.3 Å²	42.3	36%	0.361	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	9	177.6	0	0	0	0	0	115.3	L455 Q459	L455-G457 PolarHBondContact O-N 2.62Å; G457-Q459 PolarHBondContact O-N 3.36Å
458	M	95.8	Very high	95.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.249	C	C	.	.			trans	-77.5	55.7	175.7	-61.8	-174.5	79.5	0	0	112.5	L437 L440 L455 A456 K460 L461 L484	L437-M458 HydrophobicContact CB-CE 3.65Å; L437-M458 HydrophobicContact CD1-CE 3.55Å; L437-M458 HydrophobicContact CG-CE 4.16Å; L440-M458 HydrophobicContact CD2-CE 4.34Å; L455-M458 HydrophobicContact CB-SD 4.36Å; L455-M458 HydrophobicContact CD2-SD 3.72Å; L455-M458 WeakPolarHBondContact O-CB 3.33Å; L455-M458 VanDerWaalsContact O-CG 3.27Å; L455-M458 WeakPolarHBondContact O-CG 3.25Å; L455-M458 PolarHBondContact O-N 2.95Å; A456-M458 VanDerWaalsContact C-N 3.3Å; A456-M458 PolarHBondContact O-N 3.3Å; M458-K460 PolarHBondContact O-N 3.38Å; M458-L461 HydrophobicContact CB-CB 4.13Å; M458-L461 HydrophobicContact CE-CD1 4.14Å; M458-L461 HydrophobicContact CE-CD2 4.22Å; M458-L461 WeakPolarHBondContact O-CB 3.5Å; M458-L461 PolarHBondContact O-N 3.47Å; M458-L461 VanDerWaalsContact O-N 3.08Å; M458-L461 HydrophobicContact SD-CD2 4.42Å; M458-L484 HydrophobicContact CB-CD2 3.77Å
459	Q	94.4	Very high	95.9	Very high	135 Å²	135	43.4 Å²	43.4	63%	0.631	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-10	-174.6	-65.4	177.4	-20.1	0	0	114.7	G457 A486	G457-Q459 PolarHBondContact O-N 3.36Å; Q459-A486 WeakPolarHBondContact O-CB 3.37Å
460	K	97.6	Very high	96	Very high	126 Å²	126	46 Å²	46	55%	0.548	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-5.5	177.2	-63.1	-172.1	-178.4	-176.6	0	113	L437 K438 M458 Q462	L437-K460 CarbonylContact O-C 3.02Å; L437-K460 VanDerWaalsContact O-C 3.23Å; K438-K460 WeakPolarHBondContact CA-O 3.35Å; M458-K460 PolarHBondContact O-N 3.38Å; K460-Q462 PolarHBondContact O-N 2.95Å
461	L	98.6	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.			trans	-71.7	115.8	-173.4	-168.9	70.2	0	0	0	109.6	L437 L440 M458 L464 L484 A486 L487	L437-L461 HydrophobicContact CB-CD1 4.14Å; L437-L461 VanDerWaalsContact O-CA 3.24Å; L437-L461 WeakPolarHBondContact O-CA 3.09Å; L437-L461 PolarHBondContact O-N 2.87Å; L437-L461 VanDerWaalsContact O-N 3.15Å; L440-L461 HydrophobicContact CB-CD1 3.82Å; M458-L461 HydrophobicContact CB-CB 4.13Å; M458-L461 HydrophobicContact CE-CD1 4.14Å; M458-L461 HydrophobicContact CE-CD2 4.22Å; M458-L461 WeakPolarHBondContact O-CB 3.5Å; M458-L461 PolarHBondContact O-N 3.47Å; M458-L461 VanDerWaalsContact O-N 3.08Å; M458-L461 HydrophobicContact SD-CD2 4.42Å; L461-L464 HydrophobicContact CD2-CB 4.13Å; L461-L464 HydrophobicContact CD2-CD1 4.4Å; L461-L464 HydrophobicContact CD2-CD2 4.28Å; L461-L484 HydrophobicContact CB-CD2 4.43Å; L461-L484 HydrophobicContact CD2-CD1 4.16Å; L461-L484 HydrophobicContact CD2-CD2 4.05Å; L461-A486 CarbonylContact O-C 3.23Å; L461-L487 HydrophobicContact CD2-CD1 4.41Å; L461-L487 HydrophobicContact CG-CD1 4.28Å; L461-L487 WeakPolarHBondContact O-CA 3.18Å; L461-L487 PolarHBondContact O-N 2.97Å; L461-L487 VanDerWaalsContact O-N 3.13Å
462	Q	98.6	Very high	96.1	Very high	94 Å²	94	49.9 Å²	49.9	44%	0.439	25%	0.248	S	C	.	.			trans	-99.9	-37.1	-178.1	-69	171.1	-11.3	0	0	111.6	K438 K460 A486 T488 T489	K438-Q462 PolarHBondContact O-N 3.47Å; K460-Q462 PolarHBondContact O-N 2.95Å; Q462-A486 WeakPolarHBondContact CA-O 3.21Å; Q462-T488 PolarHBondContact O-N 3.08Å; Q462-T488 PolarHBondContact O-OG1 2.76Å; Q462-T489 PolarHBondContact O-N 2.85Å
463	K	98.9	Very high	95.8	Very high	78 Å²	78	45 Å²	45	34%	0.339	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.1	-176.4	-176.1	179.4	179.3	-157.7	0	110.6	K438 V439 L440 E441 I465 T489	K438-K463 PolarHBondContact O-N 2.94Å; V439-K463 WeakPolarHBondContact CA-O 3.22Å; V439-K463 HydrophobicContact CG1-CB 4.25Å; V439-K463 HydrophobicContact CG1-CD 4.15Å; V439-K463 HydrophobicContact CG1-CG 4.38Å; V439-K463 HydrophobicContact CG2-CB 4.23Å; L440-K463 PolarHBondContact N-O 3.46Å; E441-K463 IonicContact OE1-NZ 3.67Å; E441-K463 PolarHBondContact OE1-NZ 3.3Å; K463-I465 HydrophobicContact CD-CD1 4.3Å; K463-I465 HydrophobicContact CD-CG1 4.31Å; K463-I465 VanDerWaalsContact CE-CD1 3.48Å; K463-I465 HydrophobicContact CG-CD1 3.82Å; K463-I465 HydrophobicContact CG-CG1 3.95Å; K463-T489 WeakPolarHBondContact CA-O 3.12Å; K463-T489 HydrophobicContact CG-CG2 4.19Å
464	L	98.8	Very high	95.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113.6	176.4	179.5	54.8	0	0	0	109.9	L440 L455 L461 L466 W481 L484 L487 T489 L490 D491	L440-L464 HydrophobicContact CB-CD1 4.05Å; L440-L464 HydrophobicContact CD2-CD1 3.94Å; L440-L464 HydrophobicContact CG-CD1 4.03Å; L455-L464 HydrophobicContact CD1-CD2 4.13Å; L461-L464 HydrophobicContact CD2-CB 4.13Å; L461-L464 HydrophobicContact CD2-CD1 4.4Å; L461-L464 HydrophobicContact CD2-CD2 4.28Å; L464-L466 HydrophobicContact CD1-CD1 4.32Å; L464-L466 HydrophobicContact CD1-CD2 3.92Å; L464-L466 HydrophobicContact CD1-CG 3.97Å; L464-L466 HydrophobicContact CD2-CD1 4.17Å; L464-L466 HydrophobicContact CG-CD1 4.12Å; L464-L466 HydrophobicContact CG-CG 4.02Å; L464-W481 HydrophobicContact CD2-CE3 4.28Å; L464-W481 HydrophobicContact CD2-CZ3 3.79Å; L464-L484 HydrophobicContact CD2-CD1 3.94Å; L464-L487 HydrophobicContact CB-CD1 3.71Å; L464-T489 PolarHBondContact N-O 2.92Å; L464-L490 HydrophobicContact CB-CD1 4.15Å; L464-L490 HydrophobicContact CD2-CD1 4.08Å; L464-L490 HydrophobicContact CG-CD1 4.09Å; L464-D491 PolarHBondContact O-N 2.75Å
465	I	98.8	Very high	95.6	Very high	12 Å²	12	51 Å²	51	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.3	-177.8	-50.4	-59	0	0	0	109.7	L440 E441 I442 K443 K463 T489 D491	L440-I465 PolarHBondContact O-N 2.99Å; E441-I465 HydrophobicContact CB-CB 4.37Å; E441-I465 HydrophobicContact CG-CB 4.14Å; E441-I465 HydrophobicContact CG-CG1 4.07Å; I442-I465 PolarHBondContact N-O 3.02Å; K443-I465 HydrophobicContact CB-CG2 4.3Å; K463-I465 HydrophobicContact CD-CD1 4.3Å; K463-I465 HydrophobicContact CD-CG1 4.31Å; K463-I465 VanDerWaalsContact CE-CD1 3.48Å; K463-I465 HydrophobicContact CG-CD1 3.82Å; K463-I465 HydrophobicContact CG-CG1 3.95Å; I465-T489 HydrophobicContact CD1-CG2 4.28Å; I465-D491 HydrophobicContact CB-CB 4.47Å; I465-D491 HydrophobicContact CD1-CB 3.47Å; I465-D491 VanDerWaalsContact CD1-CB 3.47Å; I465-D491 HydrophobicContact CG2-CB 4.11Å
466	L	98.6	Very high	95.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.27	C	S	.	.			trans	-122.1	23.2	-179.8	-56.7	175.4	0	0	0	111.4	I429 I442 L447 I450 L464 N469 L471 W481 D491 L492 N495	I429-L466 HydrophobicContact CD1-CD1 4.33Å; I429-L466 HydrophobicContact CD1-CD2 4.01Å; I442-L466 HydrophobicContact CB-CD2 4.02Å; I442-L466 HydrophobicContact CD1-CD2 4.29Å; I442-L466 HydrophobicContact CG1-CD2 4.26Å; L447-L466 HydrophobicContact CD1-CD2 3.92Å; I450-L466 HydrophobicContact CD1-CD1 3.91Å; L464-L466 HydrophobicContact CD1-CD1 4.32Å; L464-L466 HydrophobicContact CD1-CD2 3.92Å; L464-L466 HydrophobicContact CD1-CG 3.97Å; L464-L466 HydrophobicContact CD2-CD1 4.17Å; L464-L466 HydrophobicContact CG-CD1 4.12Å; L464-L466 HydrophobicContact CG-CG 4.02Å; L466-N469 PolarHBondContact O-ND2 2.83Å; L466-L471 HydrophobicContact CB-CD1 4.09Å; L466-L471 HydrophobicContact CD1-CD1 4.1Å; L466-W481 HydrophobicContact CD1-CH2 3.8Å; L466-W481 HydrophobicContact CD1-CZ3 3.95Å; L466-D491 CarbonylContact C-O 3.37Å; L466-D491 WeakPolarHBondContact CA-O 3.41Å; L466-D491 PolarHBondContact N-O 3.46Å; L466-L492 HydrophobicContact CB-CD2 4.09Å; L466-L492 HydrophobicContact CD1-CD2 3.96Å; L466-N495 PolarHBondContact O-ND2 3.01Å
467	S	98.6	Very high	95.4	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.049	26%	0.263	C	S	.	.			trans	-61.3	154.9	-177.8	67.8	0	0	0	0	112.8	K443 N444 N469 D491 S493	K443-S467 CarbonylContact C-O 3.48Å; K443-S467 WeakPolarHBondContact CA-O 3.09Å; K443-S467 WeakPolarHBondContact CB-O 3.28Å; K443-S467 VanDerWaalsContact CB-OG 3.23Å; K443-S467 WeakPolarHBondContact CB-OG 3.27Å; N444-S467 PolarHBondContact N-O 2.95Å; S467-N469 PolarHBondContact O-ND2 3.21Å; S467-N469 VanDerWaalsContact O-ND2 3.12Å; S467-D491 PolarHBondContact N-O 3Å; S467-S493 CarbonylContact C-O 3.37Å; S467-S493 WeakPolarHBondContact CA-O 3.24Å; S467-S493 VanDerWaalsContact CB-OG 3.26Å; S467-S493 WeakPolarHBondContact CB-OG 3.37Å
468	D	98.5	Very high	95.3	Very high	75 Å²	75	59.8 Å²	59.8	40%	0.401	29%	0.289	S	S	.	.	S	Bend	trans	55.5	61.9	176	-56.4	-53.4	0	0	0	112.5	N444 N445 S493 G494	N444-D468 VanDerWaalsContact CA-O 3.23Å; N444-D468 WeakPolarHBondContact CA-O 3.15Å; N444-D468 PolarHBondContact N-O 3.15Å; N444-D468 WeakPolarHBondContact OD1-CB 3.29Å; N445-D468 PolarHBondContact N-O 3.24Å; D468-S493 PolarHBondContact N-O 2.82Å; D468-G494 VanDerWaalsContact CA-O 3.3Å; D468-G494 WeakPolarHBondContact CA-O 3.4Å
469	N	98.6	Very high	95	Very high	11 Å²	11	60.5 Å²	60.5	6%	0.059	30%	0.297	C	S	.	.	S	Bend	trans	-136.3	-163.5	-178.9	-87.8	-68.3	0	0	0	110.7	I442 N445 Q446 L447 L466 S467 L471 G494 N495	I442-N469 PolarHBondContact O-ND2 3.08Å; N445-N469 VanDerWaalsContact CA-OD1 3.28Å; N445-N469 WeakPolarHBondContact CA-OD1 3.2Å; N445-N469 WeakPolarHBondContact CB-OD1 3.26Å; N445-N469 PolarHBondContact N-OD1 3.04Å; N445-N469 PolarHBondContact O-OD1 2.91Å; Q446-N469 PolarHBondContact N-OD1 3.02Å; L447-N469 HydrophobicContact CB-CB 4Å; L447-N469 VanDerWaalsContact CB-OD1 3.25Å; L447-N469 WeakPolarHBondContact CB-OD1 3.37Å; L447-N469 WeakPolarHBondContact CG-OD1 3.44Å; L447-N469 PolarHBondContact N-OD1 3.14Å; L466-N469 PolarHBondContact O-ND2 2.83Å; S467-N469 PolarHBondContact O-ND2 3.21Å; S467-N469 VanDerWaalsContact O-ND2 3.12Å; N469-L471 HydrophobicContact CB-CG 4.45Å; N469-G494 PolarHBondContact N-O 2.83Å; N469-N495 WeakPolarHBondContact CA-OD1 3.47Å; N469-N495 WeakPolarHBondContact CB-OD1 3.48Å; N469-N495 PolarHBondContact O-OD1 3.49Å
470	K	98	Very high	94.9	Very high	91 Å²	91	54.1 Å²	54.1	40%	0.396	27%	0.267	S	S	.	.			trans	-121	28.1	-177.5	-65.2	179.6	165.3	160.5	0	112.3	L447 N495	L447-K470 CarbonylContact O-C 3.55Å; L447-K470 WeakPolarHBondContact O-CA 3.27Å; L447-K470 WeakPolarHBondContact O-CB 3.44Å; L447-K470 PolarHBondContact O-N 3.32Å; K470-N495 PolarHBondContact N-OD1 2.86Å
471	L	97.9	Very high	94.7	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	24%	0.243	C	C	.	.			trans	-69.6	141	-178.7	-59.6	173.1	0	0	0	111.1	L447 I450 L466 N469 L492 N495 Q496 L497	L447-L471 HydrophobicContact CB-CD2 4.11Å; L447-L471 HydrophobicContact CB-CG 4.5Å; L447-L471 PolarHBondContact O-N 3.22Å; L447-L471 VanDerWaalsContact O-N 3.15Å; I450-L471 HydrophobicContact CG1-CD2 4.2Å; L466-L471 HydrophobicContact CB-CD1 4.09Å; L466-L471 HydrophobicContact CD1-CD1 4.1Å; N469-L471 HydrophobicContact CB-CG 4.45Å; L471-L492 HydrophobicContact CD1-CD2 4.11Å; L471-N495 HydrophobicContact CB-CB 4.23Å; L471-N495 VanDerWaalsContact CB-OD1 3.27Å; L471-N495 WeakPolarHBondContact CB-OD1 3.37Å; L471-N495 WeakPolarHBondContact CG-OD1 3.49Å; L471-N495 PolarHBondContact N-OD1 3.45Å; L471-Q496 CarbonylContact O-C 3.55Å; L471-Q496 VanDerWaalsContact O-CA 3.25Å; L471-Q496 WeakPolarHBondContact O-CA 3.43Å; L471-Q496 WeakPolarHBondContact O-CB 3.1Å; L471-Q496 PolarHBondContact O-N 2.81Å; L471-L497 HydrophobicContact CB-CD2 4.4Å; L471-L497 PolarHBondContact O-N 3.26Å
472	K	95.7	Very high	94.3	Very high	122 Å²	122	54.5 Å²	54.5	53%	0.53	27%	0.272	S	S	.	.			trans	-127.8	175.7	179.3	-61.4	178.9	-176.3	178.9	0	109.4	N474 S475 Q496	K472-N474 PolarHBondContact O-N 3.06Å; K472-N474 VanDerWaalsContact O-N 3.09Å; K472-S475 PolarHBondContact N-OG 2.86Å; K472-S475 VanDerWaalsContact O-CB 3.28Å; K472-S475 WeakPolarHBondContact O-CB 3.33Å; K472-S475 PolarHBondContact O-N 3.48Å; K472-S475 PolarHBondContact O-OG 2.95Å; K472-Q496 VanDerWaalsContact CE-OE1 3.26Å; K472-Q496 HydrophobicContact CG-CB 4.03Å
473	L	84.9	Confident	93.9	Very high	86 Å²	86	53.6 Å²	53.6	45%	0.45	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-41	-176.8	-172.2	63	0	0	0	114.2	H499	L473-H499 HydrophobicContact CD1-CB 3.75Å
474	N	86.3	Confident	93.8	Very high	146 Å²	146	49.9 Å²	49.9	78%	0.781	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	20.9	-177.1	-58.8	-19.9	0	0	0	112.9	K472 A476	K472-N474 PolarHBondContact O-N 3.06Å; K472-N474 VanDerWaalsContact O-N 3.09Å; N474-A476 VanDerWaalsContact C-N 3.31Å
475	S	92.8	Very high	93.6	Very high	15 Å²	15	53.4 Å²	53.4	11%	0.105	28%	0.276	C	S	.	.	S	Bend	trans	-72	-28.8	177.6	-73.5	0	0	0	0	111.9	S448 A449 I450 K472	S448-S475 VanDerWaalsContact O-CB 3.28Å; S448-S475 WeakPolarHBondContact O-CB 3.29Å; S448-S475 PolarHBondContact O-OG 2.81Å; A449-S475 CarbonylContact C-O 3.57Å; A449-S475 WeakPolarHBondContact CA-O 3.46Å; I450-S475 PolarHBondContact N-O 2.84Å; K472-S475 PolarHBondContact N-OG 2.86Å; K472-S475 VanDerWaalsContact O-CB 3.28Å; K472-S475 WeakPolarHBondContact O-CB 3.33Å; K472-S475 PolarHBondContact O-N 3.48Å; K472-S475 PolarHBondContact O-OG 2.95Å
476	A	92.5	Very high	93.6	Very high	27 Å²	27	54.2 Å²	54.2	22%	0.223	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-96.6	152.6	175.6	0	0	0	0	0	111.8	I450 N474 A480 W481	I450-A476 HydrophobicContact CB-CB 4.33Å; I450-A476 HydrophobicContact CD1-CB 4.23Å; N474-A476 VanDerWaalsContact C-N 3.31Å; A476-A480 HydrophobicContact CB-CB 4.03Å; A476-W481 HydrophobicContact CB-CZ2 3.9Å
477	Y	89.7	Confident	93.6	Very high	30 Å²	30	54.2 Å²	54.2	12%	0.118	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-72.8	155.6	168.4	64.9	-87.8	0	0	0	110.3	I450 Y452 G479 A480 E483	I450-Y477 HydrophobicContact CG2-CE1 4.41Å; Y452-Y477 AromaticContact CD2-CD2 3.85Å; Y452-Y477 HydrophobicContact CD2-CD2 3.85Å; Y452-Y477 HydrophobicContact CD2-CE2 4.26Å; Y452-Y477 HydrophobicContact CD2-CG 4.07Å; Y452-Y477 HydrophobicContact CE2-CD2 4.38Å; Y477-G479 PolarHBondContact O-N 3.2Å; Y477-A480 HydrophobicContact CD1-CB 3.73Å; Y477-A480 HydrophobicContact CD2-CB 3.99Å; Y477-A480 HydrophobicContact CE1-CB 3.54Å; Y477-A480 VanDerWaalsContact CE2-CA 3.49Å; Y477-A480 HydrophobicContact CE2-CB 3.82Å; Y477-A480 HydrophobicContact CG-CB 3.96Å; Y477-A480 VanDerWaalsContact O-CB 3.24Å; Y477-A480 WeakPolarHBondContact O-CB 3.45Å; Y477-A480 PolarHBondContact O-N 3.22Å; Y477-A480 VanDerWaalsContact O-N 3.15Å; Y477-E483 PolarHBondContact OH-OE2 3.16Å
478	Q	88.3	Confident	93.6	Very high	195 Å²	195	55.9 Å²	55.9	91%	0.911	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	124.8	179	-175.5	177.3	3.3	0	0	110.8
479	G	88.8	Confident	93.6	Very high	17 Å²	17	53.5 Å²	53.5	18%	0.175	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	3.8	-179.5	0	0	0	0	0	114.3	Y477 W481 M482 E483 D503	Y477-G479 PolarHBondContact O-N 3.2Å; G479-W481 VanDerWaalsContact C-N 3.26Å; G479-W481 PolarHBondContact O-N 3.16Å; G479-M482 PolarHBondContact O-N 2.93Å; G479-E483 WeakPolarHBondContact O-CG 3.43Å; G479-E483 PolarHBondContact O-N 3.01Å; G479-D503 WeakPolarHBondContact CA-OD2 3.25Å; G479-D503 PolarHBondContact N-OD2 2.92Å
480	A	92.1	Very high	93.6	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-37.3	-175.4	0	0	0	0	0	113.6	A476 Y477 D503	A476-A480 HydrophobicContact CB-CB 4.03Å; Y477-A480 HydrophobicContact CD1-CB 3.73Å; Y477-A480 HydrophobicContact CD2-CB 3.99Å; Y477-A480 HydrophobicContact CE1-CB 3.54Å; Y477-A480 VanDerWaalsContact CE2-CA 3.49Å; Y477-A480 HydrophobicContact CE2-CB 3.82Å; Y477-A480 HydrophobicContact CG-CB 3.96Å; Y477-A480 VanDerWaalsContact O-CB 3.24Å; Y477-A480 WeakPolarHBondContact O-CB 3.45Å; Y477-A480 PolarHBondContact O-N 3.22Å; Y477-A480 VanDerWaalsContact O-N 3.15Å; A480-D503 PolarHBondContact N-OD2 2.99Å
481	W	93.4	Very high	93.6	Very high	13 Å²	13	49.7 Å²	49.7	5%	0.049	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-36.3	-179	-40.7	104	0	0	0	111.7	I450 L464 L466 A476 G479 E483 L484 L490 L492 D503 P505	I450-W481 HydrophobicContact CD1-CH2 3.29Å; I450-W481 HydrophobicContact CD1-CZ2 3.75Å; I450-W481 HydrophobicContact CD1-CZ3 4.08Å; L464-W481 HydrophobicContact CD2-CE3 4.28Å; L464-W481 HydrophobicContact CD2-CZ3 3.79Å; L466-W481 HydrophobicContact CD1-CH2 3.8Å; L466-W481 HydrophobicContact CD1-CZ3 3.95Å; A476-W481 HydrophobicContact CB-CZ2 3.9Å; G479-W481 VanDerWaalsContact C-N 3.26Å; G479-W481 PolarHBondContact O-N 3.16Å; W481-E483 PolarHBondContact O-N 3.18Å; W481-L484 WeakPolarHBondContact O-CB 3.43Å; W481-L484 PolarHBondContact O-N 2.72Å; W481-L490 HydrophobicContact CD2-CD2 4.3Å; W481-L490 HydrophobicContact CE3-CD1 4.03Å; W481-L490 HydrophobicContact CE3-CD2 3.93Å; W481-L490 HydrophobicContact CZ3-CD1 3.73Å; W481-L490 HydrophobicContact CZ3-CD2 4.3Å; W481-L492 HydrophobicContact CH2-CD1 4.41Å; W481-L492 HydrophobicContact CH2-CD2 3.71Å; W481-L492 HydrophobicContact CZ2-CD1 4.4Å; W481-L492 HydrophobicContact CZ2-CD2 4.34Å; W481-L492 HydrophobicContact CZ3-CD2 4.28Å; W481-D503 CarbonylContact C-O 3.55Å; W481-D503 WeakPolarHBondContact CB-O 3.28Å; W481-D503 VanDerWaalsContact CD1-OD1 3.24Å; W481-P505 WeakPolarHBondContact O-CG 3.34Å
482	M	91.4	Very high	93.6	Very high	121 Å²	121	49.6 Å²	49.6	60%	0.596	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.6	179.2	-170.9	-177.2	-70.8	0	0	112.4	G479 L484 D503	G479-M482 PolarHBondContact O-N 2.93Å; M482-L484 PolarHBondContact O-N 3.28Å; M482-D503 WeakPolarHBondContact CA-O 3.44Å; M482-D503 WeakPolarHBondContact CB-O 3.25Å; M482-D503 HydrophobicContact CE-CB 4.33Å; M482-D503 PolarHBondContact N-O 3.06Å
483	E	90.4	Very high	93.8	Very high	76 Å²	76	44.2 Å²	44.2	36%	0.355	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.8	175.7	-73.4	178.5	176.5	0	0	113.4	A456 Y477 G479 W481 S485	A456-E483 WeakPolarHBondContact CA-OE2 3.48Å; Y477-E483 PolarHBondContact OH-OE2 3.16Å; G479-E483 WeakPolarHBondContact O-CG 3.43Å; G479-E483 PolarHBondContact O-N 3.01Å; W481-E483 PolarHBondContact O-N 3.18Å; E483-S485 VanDerWaalsContact C-N 3.3Å; E483-S485 PolarHBondContact O-N 2.93Å; E483-S485 VanDerWaalsContact O-N 3.07Å
484	L	96.1	Very high	94.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.			trans	-88.1	63.3	-176.1	-55.3	175.2	0	0	0	111.7	L455 M458 L461 L464 W481 M482 A486 L487	L455-L484 HydrophobicContact CB-CD2 4.37Å; L455-L484 HydrophobicContact CD1-CD1 4.37Å; M458-L484 HydrophobicContact CB-CD2 3.77Å; L461-L484 HydrophobicContact CB-CD2 4.43Å; L461-L484 HydrophobicContact CD2-CD1 4.16Å; L461-L484 HydrophobicContact CD2-CD2 4.05Å; L464-L484 HydrophobicContact CD2-CD1 3.94Å; W481-L484 WeakPolarHBondContact O-CB 3.43Å; W481-L484 PolarHBondContact O-N 2.72Å; M482-L484 PolarHBondContact O-N 3.28Å; L484-A486 PolarHBondContact O-N 3.13Å; L484-L487 HydrophobicContact CB-CB 3.82Å; L484-L487 HydrophobicContact CB-CD2 4.25Å; L484-L487 HydrophobicContact CD1-CD1 4.49Å; L484-L487 HydrophobicContact CD1-CD2 3.93Å; L484-L487 WeakPolarHBondContact O-CB 3.22Å; L484-L487 PolarHBondContact O-N 3.15Å
485	S	95.3	Very high	95	Very high	74 Å²	74	34.4 Å²	34.4	52%	0.517	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-12.2	-175	54.4	0	0	0	0	117.6	E483 S507	E483-S485 VanDerWaalsContact C-N 3.3Å; E483-S485 PolarHBondContact O-N 2.93Å; E483-S485 VanDerWaalsContact O-N 3.07Å; S485-S507 VanDerWaalsContact O-CB 3.29Å; S485-S507 WeakPolarHBondContact O-CB 3.43Å; S485-S507 PolarHBondContact O-OG 3.35Å
486	A	97.8	Very high	95.2	Very high	29 Å²	29	36 Å²	36	24%	0.24	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	4.2	175.9	0	0	0	0	0	113.2	Q459 L461 Q462 L484 T488	Q459-A486 WeakPolarHBondContact O-CB 3.37Å; L461-A486 CarbonylContact O-C 3.23Å; Q462-A486 WeakPolarHBondContact CA-O 3.21Å; L484-A486 PolarHBondContact O-N 3.13Å; A486-T488 PolarHBondContact O-N 3.24Å
487	L	98.4	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.			trans	-71.7	118.9	-174.1	-168.6	73.4	0	0	0	109.8	L461 L464 L484 L490 P505 S507 L508	L461-L487 HydrophobicContact CD2-CD1 4.41Å; L461-L487 HydrophobicContact CG-CD1 4.28Å; L461-L487 WeakPolarHBondContact O-CA 3.18Å; L461-L487 PolarHBondContact O-N 2.97Å; L461-L487 VanDerWaalsContact O-N 3.13Å; L464-L487 HydrophobicContact CB-CD1 3.71Å; L484-L487 HydrophobicContact CB-CB 3.82Å; L484-L487 HydrophobicContact CB-CD2 4.25Å; L484-L487 HydrophobicContact CD1-CD1 4.49Å; L484-L487 HydrophobicContact CD1-CD2 3.93Å; L484-L487 WeakPolarHBondContact O-CB 3.22Å; L484-L487 PolarHBondContact O-N 3.15Å; L487-L490 HydrophobicContact CD2-CB 4.03Å; L487-L490 HydrophobicContact CD2-CD1 4.37Å; L487-L490 HydrophobicContact CD2-CD2 4.42Å; L487-P505 HydrophobicContact CB-CG 4.12Å; L487-P505 HydrophobicContact CD2-CG 4.24Å; L487-S507 PolarHBondContact N-OG 2.67Å; L487-S507 CarbonylContact O-C 3.16Å; L487-S507 WeakPolarHBondContact O-CB 3.45Å; L487-S507 VanDerWaalsContact O-O 3.11Å; L487-S507 PolarHBondContact O-OG 2.99Å; L487-L508 HydrophobicContact CD2-CD1 4.25Å; L487-L508 HydrophobicContact CG-CD1 4.28Å; L487-L508 VanDerWaalsContact O-CA 3.29Å; L487-L508 WeakPolarHBondContact O-CA 3.46Å; L487-L508 PolarHBondContact O-N 3.38Å
488	T	98.5	Very high	95.6	Very high	42 Å²	42	36.2 Å²	36.2	26%	0.258	20%	0.203	S	C	.	.			trans	-105.7	-29.8	178.3	56.5	0	0	0	0	111.4	Q462 A486 E509 Y510	Q462-T488 PolarHBondContact O-N 3.08Å; Q462-T488 PolarHBondContact O-OG1 2.76Å; A486-T488 PolarHBondContact O-N 3.24Å; T488-E509 HydrophobicContact CG2-CG 4.32Å; T488-E509 CarbonylContact O-C 3.45Å; T488-E509 WeakPolarHBondContact O-CA 3.16Å; T488-E509 WeakPolarHBondContact O-CB 3.41Å; T488-E509 PolarHBondContact O-N 3.44Å; T488-Y510 PolarHBondContact O-N 2.84Å
489	T	98.8	Very high	95.9	Very high	25 Å²	25	30.6 Å²	30.6	15%	0.153	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.8	-178.8	-58.6	0	0	0	0	110.8	Q462 K463 L464 I465 Y510 Y512	Q462-T489 PolarHBondContact O-N 2.85Å; K463-T489 WeakPolarHBondContact CA-O 3.12Å; K463-T489 HydrophobicContact CG-CG2 4.19Å; L464-T489 PolarHBondContact N-O 2.92Å; I465-T489 HydrophobicContact CD1-CG2 4.28Å; T489-Y510 WeakPolarHBondContact CA-O 3.42Å; T489-Y512 HydrophobicContact CG2-CD2 4.43Å; T489-Y512 HydrophobicContact CG2-CE2 4.03Å
490	L	98.6	Very high	96.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.4	173.4	-180	56.6	0	0	0	109.8	L464 W481 L487 L492 L504 L508 Y510 L511 Y512	L464-L490 HydrophobicContact CB-CD1 4.15Å; L464-L490 HydrophobicContact CD2-CD1 4.08Å; L464-L490 HydrophobicContact CG-CD1 4.09Å; W481-L490 HydrophobicContact CD2-CD2 4.3Å; W481-L490 HydrophobicContact CE3-CD1 4.03Å; W481-L490 HydrophobicContact CE3-CD2 3.93Å; W481-L490 HydrophobicContact CZ3-CD1 3.73Å; W481-L490 HydrophobicContact CZ3-CD2 4.3Å; L487-L490 HydrophobicContact CD2-CB 4.03Å; L487-L490 HydrophobicContact CD2-CD1 4.37Å; L487-L490 HydrophobicContact CD2-CD2 4.42Å; L490-L492 HydrophobicContact CD1-CD1 4.48Å; L490-L492 HydrophobicContact CD1-CD2 4.09Å; L490-L492 HydrophobicContact CD1-CG 4.03Å; L490-L492 HydrophobicContact CD2-CD1 3.93Å; L490-L492 HydrophobicContact CD2-CG 4.31Å; L490-L492 HydrophobicContact CG-CD1 4.13Å; L490-L492 HydrophobicContact CG-CG 3.94Å; L490-L504 HydrophobicContact CD2-CD2 3.63Å; L490-L508 HydrophobicContact CB-CD1 3.67Å; L490-Y510 PolarHBondContact N-O 3.28Å; L490-L511 HydrophobicContact CB-CD1 4.18Å; L490-L511 HydrophobicContact CD2-CD1 4.09Å; L490-L511 HydrophobicContact CG-CD1 4.15Å; L490-L511 WeakPolarHBondContact O-CA 3.38Å; L490-Y512 PolarHBondContact O-N 3.2Å
491	D	98.7	Very high	96.3	Very high	22 Å²	22	31.3 Å²	31.3	12%	0.118	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	111	175	-174	-3.8	0	0	0	111.4	L464 I465 L466 S467 S493 Y512	L464-D491 PolarHBondContact O-N 2.75Å; I465-D491 HydrophobicContact CB-CB 4.47Å; I465-D491 HydrophobicContact CD1-CB 3.47Å; I465-D491 VanDerWaalsContact CD1-CB 3.47Å; I465-D491 HydrophobicContact CG2-CB 4.11Å; L466-D491 CarbonylContact C-O 3.37Å; L466-D491 WeakPolarHBondContact CA-O 3.41Å; L466-D491 PolarHBondContact N-O 3.46Å; S467-D491 PolarHBondContact N-O 3Å; D491-S493 WeakPolarHBondContact OD1-CB 3.33Å; D491-S493 PolarHBondContact OD1-N 2.98Å; D491-S493 PolarHBondContact OD1-OG 3.38Å; D491-Y512 HydrophobicContact CB-CD2 4.13Å; D491-Y512 HydrophobicContact CB-CG 4.42Å; D491-Y512 WeakPolarHBondContact OD1-CB 3.36Å
492	L	98.3	Very high	96.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	21%	0.213	C	C	.	.			trans	-116.5	17.3	177.2	-63.2	175.6	0	0	0	111.3	L466 L471 W481 L490 N495 L497 P501 Y512 L513 N516	L466-L492 HydrophobicContact CB-CD2 4.09Å; L466-L492 HydrophobicContact CD1-CD2 3.96Å; L471-L492 HydrophobicContact CD1-CD2 4.11Å; W481-L492 HydrophobicContact CH2-CD1 4.41Å; W481-L492 HydrophobicContact CH2-CD2 3.71Å; W481-L492 HydrophobicContact CZ2-CD1 4.4Å; W481-L492 HydrophobicContact CZ2-CD2 4.34Å; W481-L492 HydrophobicContact CZ3-CD2 4.28Å; L490-L492 HydrophobicContact CD1-CD1 4.48Å; L490-L492 HydrophobicContact CD1-CD2 4.09Å; L490-L492 HydrophobicContact CD1-CG 4.03Å; L490-L492 HydrophobicContact CD2-CD1 3.93Å; L490-L492 HydrophobicContact CD2-CG 4.31Å; L490-L492 HydrophobicContact CG-CD1 4.13Å; L490-L492 HydrophobicContact CG-CG 3.94Å; L492-N495 WeakPolarHBondContact O-CB 3.42Å; L492-N495 PolarHBondContact O-ND2 2.99Å; L492-L497 HydrophobicContact CB-CD1 3.87Å; L492-L497 HydrophobicContact CD1-CD1 3.99Å; L492-L497 HydrophobicContact CG-CD1 4.48Å; L492-P501 HydrophobicContact CD1-CG 3.99Å; L492-Y512 CarbonylContact C-O 3.56Å; L492-Y512 WeakPolarHBondContact CA-O 3.45Å; L492-Y512 PolarHBondContact N-O 2.84Å; L492-L513 HydrophobicContact CB-CD2 3.89Å; L492-L513 HydrophobicContact CD1-CD2 4.16Å; L492-N516 PolarHBondContact O-ND2 3.14Å
493	S	98.2	Very high	96.1	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.07	19%	0.191	C	C	.	.			trans	-63.6	157.2	-178.7	63	0	0	0	0	113.1	S467 D468 D491 N495 Y512 Q514	S467-S493 CarbonylContact C-O 3.37Å; S467-S493 WeakPolarHBondContact CA-O 3.24Å; S467-S493 VanDerWaalsContact CB-OG 3.26Å; S467-S493 WeakPolarHBondContact CB-OG 3.37Å; D468-S493 PolarHBondContact N-O 2.82Å; D491-S493 WeakPolarHBondContact OD1-CB 3.33Å; D491-S493 PolarHBondContact OD1-N 2.98Å; D491-S493 PolarHBondContact OD1-OG 3.38Å; S493-N495 VanDerWaalsContact C-N 3.3Å; S493-N495 PolarHBondContact O-N 3.12Å; S493-N495 PolarHBondContact O-ND2 2.99Å; S493-N495 VanDerWaalsContact O-ND2 3.1Å; S493-Y512 PolarHBondContact N-O 3.14Å; S493-Q514 CarbonylContact C-O 3.27Å; S493-Q514 WeakPolarHBondContact CA-O 3.5Å; S493-Q514 VanDerWaalsContact CB-O 3.24Å; S493-Q514 WeakPolarHBondContact CB-O 3.25Å; S493-Q514 PolarHBondContact OG-NE2 3.37Å
494	G	97.7	Very high	96.3	Very high	18 Å²	18	28.4 Å²	28.4	19%	0.186	18%	0.177	C	C	.	.	S	Bend	trans	63.4	33.9	177.4	0	0	0	0	0	113.8	D468 N469 Q514 S515	D468-G494 VanDerWaalsContact CA-O 3.3Å; D468-G494 WeakPolarHBondContact CA-O 3.4Å; N469-G494 PolarHBondContact N-O 2.83Å; G494-Q514 PolarHBondContact N-O 3.17Å; G494-S515 WeakPolarHBondContact CA-O 3.5Å; G494-S515 PolarHBondContact N-O 3.3Å
495	N	98.5	Very high	96.3	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.043	18%	0.178	C	C	.	.	S	Bend	trans	-112.8	-164.4	177.6	-83.5	-79.2	0	0	0	111.1	L466 N469 K470 L471 L492 S493 L497 S515 N516	L466-N495 PolarHBondContact O-ND2 3.01Å; N469-N495 WeakPolarHBondContact CA-OD1 3.47Å; N469-N495 WeakPolarHBondContact CB-OD1 3.48Å; N469-N495 PolarHBondContact O-OD1 3.49Å; K470-N495 PolarHBondContact N-OD1 2.86Å; L471-N495 HydrophobicContact CB-CB 4.23Å; L471-N495 VanDerWaalsContact CB-OD1 3.27Å; L471-N495 WeakPolarHBondContact CB-OD1 3.37Å; L471-N495 WeakPolarHBondContact CG-OD1 3.49Å; L471-N495 PolarHBondContact N-OD1 3.45Å; L492-N495 WeakPolarHBondContact O-CB 3.42Å; L492-N495 PolarHBondContact O-ND2 2.99Å; S493-N495 VanDerWaalsContact C-N 3.3Å; S493-N495 PolarHBondContact O-N 3.12Å; S493-N495 PolarHBondContact O-ND2 2.99Å; S493-N495 VanDerWaalsContact O-ND2 3.1Å; N495-L497 HydrophobicContact CB-CG 4.27Å; N495-S515 PolarHBondContact N-O 3.08Å; N495-N516 VanDerWaalsContact CA-OD1 3.25Å; N495-N516 WeakPolarHBondContact CA-OD1 3.4Å; N495-N516 WeakPolarHBondContact CB-OD1 3.45Å; N495-N516 PolarHBondContact N-OD1 3Å; N495-N516 PolarHBondContact O-OD1 2.89Å
496	Q	97.4	Very high	96.3	Very high	48 Å²	48	31.3 Å²	31.3	22%	0.224	18%	0.182	C	C	.	.			trans	-118.4	30.7	-180	-59	173.8	33	0	0	111.2	L471 K472 N516	L471-Q496 CarbonylContact O-C 3.55Å; L471-Q496 VanDerWaalsContact O-CA 3.25Å; L471-Q496 WeakPolarHBondContact O-CA 3.43Å; L471-Q496 WeakPolarHBondContact O-CB 3.1Å; L471-Q496 PolarHBondContact O-N 2.81Å; K472-Q496 VanDerWaalsContact CE-OE1 3.26Å; K472-Q496 HydrophobicContact CG-CB 4.03Å; Q496-N516 PolarHBondContact N-OD1 3.12Å
497	L	96.9	Very high	96.3	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.052	18%	0.18	C	C	.	.			trans	-68.7	133.5	179.7	-61	175.4	0	0	0	110.2	L471 L492 N495 L513 N516 R517 I518	L471-L497 HydrophobicContact CB-CD2 4.4Å; L471-L497 PolarHBondContact O-N 3.26Å; L492-L497 HydrophobicContact CB-CD1 3.87Å; L492-L497 HydrophobicContact CD1-CD1 3.99Å; L492-L497 HydrophobicContact CG-CD1 4.48Å; N495-L497 HydrophobicContact CB-CG 4.27Å; L497-L513 HydrophobicContact CD1-CD2 3.85Å; L497-N516 HydrophobicContact CB-CB 4.32Å; L497-N516 WeakPolarHBondContact CB-OD1 3.46Å; L497-N516 WeakPolarHBondContact CG-OD1 3.28Å; L497-N516 PolarHBondContact N-OD1 3.23Å; L497-R517 CarbonylContact O-C 3.47Å; L497-R517 WeakPolarHBondContact O-CA 3.22Å; L497-R517 WeakPolarHBondContact O-CB 3.21Å; L497-R517 PolarHBondContact O-N 2.96Å; L497-I518 HydrophobicContact CB-CG1 4.34Å; L497-I518 PolarHBondContact O-N 3.48Å; L497-I518 VanDerWaalsContact O-N 3.15Å
498	T	95.1	Very high	96.3	Very high	51 Å²	51	31.3 Å²	31.3	31%	0.313	18%	0.18	S	C	.	.	S	Bend	trans	-100.5	-16.1	176.4	52.5	0	0	0	0	113	R517 I518 S519	T498-R517 HydrophobicContact CG2-CB 4.32Å; T498-I518 WeakPolarHBondContact O-CA 3.28Å; T498-S519 PolarHBondContact O-N 3.05Å
499	H	94.3	Very high	96.2	Very high	78 Å²	78	31.9 Å²	31.9	36%	0.361	18%	0.18	S	C	.	.	S	Bend	trans	-142.2	160.3	176.8	-53.8	72	0	0	0	109.2	L473	L473-H499 HydrophobicContact CD1-CB 3.75Å
500	I	94.7	Very high	96.2	Very high	16 Å²	16	34 Å²	34	8%	0.082	19%	0.186	C	C	.	.			trans	-70.5	135	169.8	-59.7	166.5	0	0	0	108.1	S502 L504 L513 I518 V521 A525 F526	I500-S502 PolarHBondContact O-N 2.76Å; I500-L504 HydrophobicContact CG2-CD1 4.13Å; I500-L513 HydrophobicContact CG1-CD1 3.94Å; I500-L513 HydrophobicContact CG2-CD1 4.2Å; I500-I518 HydrophobicContact CG1-CD1 4.16Å; I500-I518 HydrophobicContact CG1-CG2 4.22Å; I500-V521 HydrophobicContact CD1-CB 4.25Å; I500-V521 HydrophobicContact CD1-CG1 3.86Å; I500-V521 HydrophobicContact CD1-CG2 3.84Å; I500-A525 HydrophobicContact CD1-CB 4.11Å; I500-F526 HydrophobicContact CD1-CE1 4.41Å; I500-F526 HydrophobicContact CD1-CE2 4.24Å; I500-F526 HydrophobicContact CD1-CZ 3.7Å; I500-F526 HydrophobicContact CG2-CE1 4.13Å; I500-F526 HydrophobicContact CG2-CZ 4.47Å
501	P	93.1	Very high	96.2	Very high	16 Å²	16	34 Å²	34	10%	0.104	19%	0.186	C	C	.	.			trans	-57.9	133.6	173.8	-22	32.9	0	0	0	111.3	L492 L504	L492-P501 HydrophobicContact CD1-CG 3.99Å; P501-L504 HydrophobicContact CB-CD2 4.09Å; P501-L504 HydrophobicContact CB-CG 4.26Å; P501-L504 HydrophobicContact CG-CD2 4.39Å; P501-L504 WeakPolarHBondContact O-CG 3.28Å
502	S	89.4	Confident	96.2	Very high	114 Å²	114	36.1 Å²	36.1	80%	0.797	19%	0.193	S	C	*	.	S	Bend	trans	-87.3	-11.1	-176.3	56.2	0	0	0	0	114.2	I500	I500-S502 PolarHBondContact O-N 2.76Å
503	D	92.2	Very high	96.2	Very high	26 Å²	26	36 Å²	36	14%	0.139	19%	0.192	C	C	.	.			trans	-108.8	32.2	-174.6	60.6	-40.2	0	0	0	112.9	G479 A480 W481 M482	G479-D503 WeakPolarHBondContact CA-OD2 3.25Å; G479-D503 PolarHBondContact N-OD2 2.92Å; A480-D503 PolarHBondContact N-OD2 2.99Å; W481-D503 CarbonylContact C-O 3.55Å; W481-D503 WeakPolarHBondContact CB-O 3.28Å; W481-D503 VanDerWaalsContact CD1-OD1 3.24Å; M482-D503 WeakPolarHBondContact CA-O 3.44Å; M482-D503 WeakPolarHBondContact CB-O 3.25Å; M482-D503 HydrophobicContact CE-CB 4.33Å; M482-D503 PolarHBondContact N-O 3.06Å
504	L	95.2	Very high	96.1	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.047	20%	0.199	C	C	.	.			trans	-65.9	144.9	176.4	-63.8	170.6	0	0	0	111.6	L490 I500 P501 L508 L511 T529	L490-L504 HydrophobicContact CD2-CD2 3.63Å; I500-L504 HydrophobicContact CG2-CD1 4.13Å; P501-L504 HydrophobicContact CB-CD2 4.09Å; P501-L504 HydrophobicContact CB-CG 4.26Å; P501-L504 HydrophobicContact CG-CD2 4.39Å; P501-L504 WeakPolarHBondContact O-CG 3.28Å; L504-L508 HydrophobicContact CB-CD2 4.31Å; L504-L508 HydrophobicContact CD1-CD2 4.32Å; L504-L508 HydrophobicContact CD2-CD2 4.15Å; L504-L508 HydrophobicContact CG-CD2 4.5Å; L504-L511 HydrophobicContact CD1-CD2 3.71Å; L504-T529 HydrophobicContact CB-CG2 3.39Å; L504-T529 HydrophobicContact CD1-CG2 4.39Å
505	P	95.2	Very high	96	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.026	21%	0.21	C	C	.	.			trans	-80.6	150	-175.9	31.4	-33.9	0	0	0	113.1	W481 L487 S507 L508	W481-P505 WeakPolarHBondContact O-CG 3.34Å; L487-P505 HydrophobicContact CB-CG 4.12Å; L487-P505 HydrophobicContact CD2-CG 4.24Å; P505-S507 PolarHBondContact O-N 2.96Å; P505-S507 VanDerWaalsContact O-N 3.16Å; P505-L508 HydrophobicContact CG-CB 4.39Å; P505-L508 VanDerWaalsContact O-CB 3.27Å; P505-L508 WeakPolarHBondContact O-CB 3.2Å; P505-L508 PolarHBondContact O-N 3.07Å; P505-L508 VanDerWaalsContact O-N 3.13Å
506	E	95.8	Very high	95.9	Very high	130 Å²	130	39.8 Å²	39.8	61%	0.607	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.4	-179.9	-170.8	-175.4	169	0	0	113.7	L508 G528 P530 N531	E506-L508 PolarHBondContact O-N 3.46Å; E506-G528 WeakPolarHBondContact CA-O 3.27Å; E506-P530 HydrophobicContact CG-CG 3.82Å; E506-N531 PolarHBondContact O-ND2 3.28Å
507	S	97.1	Very high	95.8	Very high	29 Å²	29	43 Å²	43	20%	0.203	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.8	-179.4	60.2	0	0	0	0	114.5	S485 L487 P505 E509	S485-S507 VanDerWaalsContact O-CB 3.29Å; S485-S507 WeakPolarHBondContact O-CB 3.43Å; S485-S507 PolarHBondContact O-OG 3.35Å; L487-S507 PolarHBondContact N-OG 2.67Å; L487-S507 CarbonylContact O-C 3.16Å; L487-S507 WeakPolarHBondContact O-CB 3.45Å; L487-S507 VanDerWaalsContact O-O 3.11Å; L487-S507 PolarHBondContact O-OG 2.99Å; P505-S507 PolarHBondContact O-N 2.96Å; P505-S507 VanDerWaalsContact O-N 3.16Å; S507-E509 PolarHBondContact O-N 3.09Å
508	L	98.1	Very high	95.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.			trans	-68.6	128.3	-170.7	-167.3	67.9	0	0	0	111.5	L487 L490 L504 P505 E506 L511 N531 I532	L487-L508 HydrophobicContact CD2-CD1 4.25Å; L487-L508 HydrophobicContact CG-CD1 4.28Å; L487-L508 VanDerWaalsContact O-CA 3.29Å; L487-L508 WeakPolarHBondContact O-CA 3.46Å; L487-L508 PolarHBondContact O-N 3.38Å; L490-L508 HydrophobicContact CB-CD1 3.67Å; L504-L508 HydrophobicContact CB-CD2 4.31Å; L504-L508 HydrophobicContact CD1-CD2 4.32Å; L504-L508 HydrophobicContact CD2-CD2 4.15Å; L504-L508 HydrophobicContact CG-CD2 4.5Å; P505-L508 HydrophobicContact CG-CB 4.39Å; P505-L508 VanDerWaalsContact O-CB 3.27Å; P505-L508 WeakPolarHBondContact O-CB 3.2Å; P505-L508 PolarHBondContact O-N 3.07Å; P505-L508 VanDerWaalsContact O-N 3.13Å; E506-L508 PolarHBondContact O-N 3.46Å; L508-L511 HydrophobicContact CD2-CB 4.13Å; L508-L511 HydrophobicContact CD2-CD1 4.26Å; L508-N531 CarbonylContact O-C 3.55Å; L508-N531 VanDerWaalsContact O-C 3.29Å; L508-I532 HydrophobicContact CB-CG1 4.48Å; L508-I532 HydrophobicContact CD2-CD1 4.37Å; L508-I532 WeakPolarHBondContact O-CA 3.16Å; L508-I532 VanDerWaalsContact O-CG1 3.29Å; L508-I532 WeakPolarHBondContact O-CG1 3.44Å; L508-I532 PolarHBondContact O-N 2.88Å
509	E	98.3	Very high	95.6	Very high	55 Å²	55	42.7 Å²	42.7	26%	0.257	22%	0.221	S	C	.	.			trans	-108.6	-39.4	178.8	-58.3	-166.7	167.3	0	0	112.1	T488 S507 K533 G534	T488-E509 HydrophobicContact CG2-CG 4.32Å; T488-E509 CarbonylContact O-C 3.45Å; T488-E509 WeakPolarHBondContact O-CA 3.16Å; T488-E509 WeakPolarHBondContact O-CB 3.41Å; T488-E509 PolarHBondContact O-N 3.44Å; S507-E509 PolarHBondContact O-N 3.09Å; E509-K533 HydrophobicContact CB-CD 4.31Å; E509-K533 HydrophobicContact CB-CG 4.46Å; E509-K533 WeakPolarHBondContact O-CA 3.24Å; E509-K533 PolarHBondContact O-N 3.23Å; E509-K533 IonicContact OE1-NZ 2.93Å; E509-K533 PolarHBondContact OE1-NZ 2.71Å; E509-K533 WeakPolarHBondContact OE2-CE 3.31Å; E509-K533 IonicContact OE2-NZ 3.91Å; E509-K533 PolarHBondContact OE2-NZ 3.27Å; E509-G534 PolarHBondContact O-N 3.43Å
510	Y	98.6	Very high	95.5	Very high	68 Å²	68	40.6 Å²	40.6	27%	0.267	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.7	-177.1	-63.7	-83.7	0	0	0	111.2	T488 T489 L490 K533 F536	T488-Y510 PolarHBondContact O-N 2.84Å; T489-Y510 WeakPolarHBondContact CA-O 3.42Å; L490-Y510 PolarHBondContact N-O 3.28Å; Y510-K533 HydrophobicContact CE1-CB 4.25Å; Y510-K533 HydrophobicContact CE2-CD 4.48Å; Y510-F536 HydrophobicContact CD1-CE2 4.41Å
511	L	98.3	Very high	95.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	114.5	178.7	-179.9	61.3	0	0	0	110.8	L490 L504 L508 L513 F526 G534 F536	L490-L511 HydrophobicContact CB-CD1 4.18Å; L490-L511 HydrophobicContact CD2-CD1 4.09Å; L490-L511 HydrophobicContact CG-CD1 4.15Å; L490-L511 WeakPolarHBondContact O-CA 3.38Å; L504-L511 HydrophobicContact CD1-CD2 3.71Å; L508-L511 HydrophobicContact CD2-CB 4.13Å; L508-L511 HydrophobicContact CD2-CD1 4.26Å; L511-L513 HydrophobicContact CD1-CD1 4.27Å; L511-L513 HydrophobicContact CD1-CD2 4.44Å; L511-L513 HydrophobicContact CD1-CG 4.08Å; L511-L513 HydrophobicContact CD2-CD1 3.63Å; L511-L513 HydrophobicContact CD2-CG 4.31Å; L511-L513 HydrophobicContact CG-CD1 3.8Å; L511-L513 HydrophobicContact CG-CG 3.92Å; L511-F526 HydrophobicContact CD2-CE1 3.83Å; L511-G534 PolarHBondContact N-O 3.37Å; L511-F536 PolarHBondContact O-N 3.17Å
512	Y	98.4	Very high	95.5	Very high	67 Å²	67	42 Å²	42	26%	0.263	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.5	177.3	-59.1	-92.5	0	0	0	110.3	T489 L490 D491 L492 S493 F536	T489-Y512 HydrophobicContact CG2-CD2 4.43Å; T489-Y512 HydrophobicContact CG2-CE2 4.03Å; L490-Y512 PolarHBondContact O-N 3.2Å; D491-Y512 HydrophobicContact CB-CD2 4.13Å; D491-Y512 HydrophobicContact CB-CG 4.42Å; D491-Y512 WeakPolarHBondContact OD1-CB 3.36Å; L492-Y512 CarbonylContact C-O 3.56Å; L492-Y512 WeakPolarHBondContact CA-O 3.45Å; L492-Y512 PolarHBondContact N-O 2.84Å; S493-Y512 PolarHBondContact N-O 3.14Å; Y512-F536 HydrophobicContact CD1-CB 4.05Å; Y512-F536 AromaticContact CD1-CD2 3.36Å; Y512-F536 HydrophobicContact CD1-CD2 3.36Å; Y512-F536 AromaticContact CD1-CE2 3.89Å; Y512-F536 HydrophobicContact CD1-CE2 3.89Å; Y512-F536 AromaticContact CD1-CG 3.73Å; Y512-F536 HydrophobicContact CD1-CG 3.73Å; Y512-F536 HydrophobicContact CE1-CD1 4.41Å; Y512-F536 AromaticContact CE1-CD2 3.36Å; Y512-F536 HydrophobicContact CE1-CD2 3.36Å; Y512-F536 HydrophobicContact CE1-CE1 4.39Å; Y512-F536 AromaticContact CE1-CE2 3.35Å; Y512-F536 HydrophobicContact CE1-CE2 3.35Å; Y512-F536 AromaticContact CE1-CG 3.93Å; Y512-F536 HydrophobicContact CE1-CG 3.93Å; Y512-F536 AromaticContact CE1-CZ 3.9Å; Y512-F536 HydrophobicContact CE1-CZ 3.9Å; Y512-F536 HydrophobicContact CE2-CE2 4.48Å; Y512-F536 HydrophobicContact CG-CD2 4.04Å; Y512-F536 AromaticContact CZ-CE2 3.69Å
513	L	97.3	Very high	95.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.			trans	-130.5	10.7	-178.2	-71.3	167.6	0	0	0	112.1	L492 L497 I500 L511 N516 I518 F536 L537 N540	L492-L513 HydrophobicContact CB-CD2 3.89Å; L492-L513 HydrophobicContact CD1-CD2 4.16Å; L497-L513 HydrophobicContact CD1-CD2 3.85Å; I500-L513 HydrophobicContact CG1-CD1 3.94Å; I500-L513 HydrophobicContact CG2-CD1 4.2Å; L511-L513 HydrophobicContact CD1-CD1 4.27Å; L511-L513 HydrophobicContact CD1-CD2 4.44Å; L511-L513 HydrophobicContact CD1-CG 4.08Å; L511-L513 HydrophobicContact CD2-CD1 3.63Å; L511-L513 HydrophobicContact CD2-CG 4.31Å; L511-L513 HydrophobicContact CG-CD1 3.8Å; L511-L513 HydrophobicContact CG-CG 3.92Å; L513-N516 PolarHBondContact O-ND2 3.34Å; L513-I518 HydrophobicContact CB-CD1 3.96Å; L513-I518 HydrophobicContact CD1-CD1 4.07Å; L513-I518 HydrophobicContact CD2-CD1 4.07Å; L513-I518 HydrophobicContact CG-CD1 4.28Å; L513-F536 CarbonylContact C-O 3.52Å; L513-F536 WeakPolarHBondContact CA-O 3.37Å; L513-F536 WeakPolarHBondContact CB-O 3.42Å; L513-F536 PolarHBondContact N-O 3.34Å; L513-L537 HydrophobicContact CB-CD2 3.8Å; L513-L537 HydrophobicContact CD1-CD2 3.94Å; L513-N540 PolarHBondContact O-ND2 3.22Å
514	Q	95.8	Very high	95.6	Very high	45 Å²	45	40.6 Å²	40.6	21%	0.21	22%	0.221	C	C	.	.			trans	-59.8	152.7	179.6	65.4	-79.9	-0.3	0	0	112.3	S493 G494 N516 F536 R538	S493-Q514 CarbonylContact C-O 3.27Å; S493-Q514 WeakPolarHBondContact CA-O 3.5Å; S493-Q514 VanDerWaalsContact CB-O 3.24Å; S493-Q514 WeakPolarHBondContact CB-O 3.25Å; S493-Q514 PolarHBondContact OG-NE2 3.37Å; G494-Q514 PolarHBondContact N-O 3.17Å; Q514-N516 PolarHBondContact O-ND2 3.33Å; Q514-F536 PolarHBondContact N-O 3.16Å; Q514-R538 CarbonylContact C-O 3.49Å; Q514-R538 WeakPolarHBondContact CA-O 3.31Å; Q514-R538 HydrophobicContact CB-CB 4.17Å; Q514-R538 WeakPolarHBondContact CB-O 3.47Å
515	S	95.8	Very high	95.5	Very high	59 Å²	59	40.7 Å²	40.7	41%	0.413	22%	0.223	S	C	.	.	S	Bend	trans	59.3	47.3	178.4	-55.1	0	0	0	0	113	G494 N495 R538 F539	G494-S515 WeakPolarHBondContact CA-O 3.5Å; G494-S515 PolarHBondContact N-O 3.3Å; N495-S515 PolarHBondContact N-O 3.08Å; S515-R538 PolarHBondContact N-O 2.83Å; S515-F539 VanDerWaalsContact CA-O 3.23Å; S515-F539 WeakPolarHBondContact CA-O 3.37Å; S515-F539 PolarHBondContact N-O 3.16Å
516	N	96.8	Very high	95.4	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.059	22%	0.222	C	C	.	.	S	Bend	trans	-117.1	-161.4	173.6	-88	-77.4	0	0	0	110.4	L492 N495 Q496 L497 L513 Q514 I518 F539 N540	L492-N516 PolarHBondContact O-ND2 3.14Å; N495-N516 VanDerWaalsContact CA-OD1 3.25Å; N495-N516 WeakPolarHBondContact CA-OD1 3.4Å; N495-N516 WeakPolarHBondContact CB-OD1 3.45Å; N495-N516 PolarHBondContact N-OD1 3Å; N495-N516 PolarHBondContact O-OD1 2.89Å; Q496-N516 PolarHBondContact N-OD1 3.12Å; L497-N516 HydrophobicContact CB-CB 4.32Å; L497-N516 WeakPolarHBondContact CB-OD1 3.46Å; L497-N516 WeakPolarHBondContact CG-OD1 3.28Å; L497-N516 PolarHBondContact N-OD1 3.23Å; L513-N516 PolarHBondContact O-ND2 3.34Å; Q514-N516 PolarHBondContact O-ND2 3.33Å; N516-I518 HydrophobicContact CB-CD1 4.26Å; N516-I518 HydrophobicContact CB-CG1 4.1Å; N516-F539 PolarHBondContact N-O 3.27Å; N516-N540 VanDerWaalsContact CA-OD1 3.29Å; N516-N540 WeakPolarHBondContact CA-OD1 3.21Å; N516-N540 WeakPolarHBondContact CB-OD1 2.92Å; N516-N540 PolarHBondContact N-OD1 3.21Å; N516-N540 PolarHBondContact O-OD1 3.23Å
517	R	95.6	Very high	95.2	Very high	115 Å²	115	41.3 Å²	41.3	43%	0.434	23%	0.225	S	C	.	.			trans	-120.6	27.1	177.4	-56.9	-179.9	-177	-172.7	-0.3	111.4	L497 T498 S519 N540	L497-R517 CarbonylContact O-C 3.47Å; L497-R517 WeakPolarHBondContact O-CA 3.22Å; L497-R517 WeakPolarHBondContact O-CB 3.21Å; L497-R517 PolarHBondContact O-N 2.96Å; T498-R517 HydrophobicContact CG2-CB 4.32Å; R517-S519 PolarHBondContact O-N 3.35Å; R517-N540 PolarHBondContact N-OD1 2.73Å
518	I	94.7	Very high	94.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.238	C	C	.	.			trans	-68.6	125.6	-175	-60.7	170.5	0	0	0	108.9	L497 T498 I500 L513 N516 S520 L537 N540 R541 L542	L497-I518 HydrophobicContact CB-CG1 4.34Å; L497-I518 PolarHBondContact O-N 3.48Å; L497-I518 VanDerWaalsContact O-N 3.15Å; T498-I518 WeakPolarHBondContact O-CA 3.28Å; I500-I518 HydrophobicContact CG1-CD1 4.16Å; I500-I518 HydrophobicContact CG1-CG2 4.22Å; L513-I518 HydrophobicContact CB-CD1 3.96Å; L513-I518 HydrophobicContact CD1-CD1 4.07Å; L513-I518 HydrophobicContact CD2-CD1 4.07Å; L513-I518 HydrophobicContact CG-CD1 4.28Å; N516-I518 HydrophobicContact CB-CD1 4.26Å; N516-I518 HydrophobicContact CB-CG1 4.1Å; I518-S520 WeakPolarHBondContact CG2-O 3.44Å; I518-L537 HydrophobicContact CD1-CD2 4.04Å; I518-N540 HydrophobicContact CB-CB 4.34Å; I518-N540 WeakPolarHBondContact CB-OD1 3.32Å; I518-N540 PolarHBondContact N-OD1 3.46Å; I518-R541 CarbonylContact O-C 3.14Å; I518-R541 VanDerWaalsContact O-C 3.25Å; I518-R541 WeakPolarHBondContact O-CA 3.47Å; I518-R541 PolarHBondContact O-N 3.19Å; I518-L542 HydrophobicContact CG2-CD2 4.06Å; I518-L542 PolarHBondContact O-N 3.03Å
519	S	92.7	Very high	94.7	Very high	54 Å²	54	42.2 Å²	42.2	38%	0.378	24%	0.239	S	C	.	.			trans	-112	-4.1	-175	62.4	0	0	0	0	114.5	T498 R517 R541 S546	T498-S519 PolarHBondContact O-N 3.05Å; R517-S519 PolarHBondContact O-N 3.35Å; S519-R541 WeakPolarHBondContact CA-O 3.21Å; S519-S546 WeakPolarHBondContact O-CB 3.15Å; S519-S546 PolarHBondContact O-OG 2.75Å; S519-S546 VanDerWaalsContact O-OG 3.13Å
520	S	92.9	Very high	94.6	Very high	34 Å²	34	41.5 Å²	41.5	24%	0.238	24%	0.239	C	C	.	.			trans	-155.3	156	174.2	59.1	0	0	0	0	112.2	I518 S546	I518-S520 WeakPolarHBondContact CG2-O 3.44Å; S520-S546 CarbonylContact C-O 3.52Å; S520-S546 VanDerWaalsContact CA-O 3.24Å; S520-S546 WeakPolarHBondContact CA-O 3.16Å; S520-S546 WeakPolarHBondContact CB-O 3.21Å
521	V	94.6	Very high	94.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-124	93.6	168.8	-174.4	0	0	0	0	107.4	I500 A525 F526 L537 L542 S546 V547 D548 F552	I500-V521 HydrophobicContact CD1-CB 4.25Å; I500-V521 HydrophobicContact CD1-CG1 3.86Å; I500-V521 HydrophobicContact CD1-CG2 3.84Å; V521-A525 HydrophobicContact CG1-CB 3.85Å; V521-F526 HydrophobicContact CG1-CE2 3.78Å; V521-L537 HydrophobicContact CG2-CD1 4.2Å; V521-L542 HydrophobicContact CG2-CD1 4.27Å; V521-L542 HydrophobicContact CG2-CD2 3.86Å; V521-S546 PolarHBondContact N-O 3.34Å; V521-V547 HydrophobicContact CB-CG1 4.29Å; V521-V547 HydrophobicContact CG2-CG2 4.27Å; V521-D548 WeakPolarHBondContact O-CB 3.42Å; V521-D548 PolarHBondContact O-N 2.92Å; V521-F552 HydrophobicContact CG1-CZ 3.89Å
522	P	93.8	Very high	94.4	Very high	61 Å²	61	41.1 Å²	41.1	40%	0.396	24%	0.242	S	C	.	.			trans	-72	161.1	-179.9	29.7	-36.2	0	0	0	112.2	S524 A525 S551	P522-S524 PolarHBondContact O-N 3.24Å; P522-A525 HydrophobicContact CG-CB 4.18Å; P522-A525 WeakPolarHBondContact O-CB 3.29Å; P522-A525 PolarHBondContact O-N 3.01Å; P522-S551 VanDerWaalsContact O-CB 3.25Å; P522-S551 WeakPolarHBondContact O-CB 3.33Å
523	A	91.4	Very high	94.4	Very high	43 Å²	43	40.6 Å²	40.6	36%	0.355	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-37.4	176.9	0	0	0	0	0	113.9	A525 D548 S550 S551	A523-A525 VanDerWaalsContact C-N 3.32Å; A523-A525 PolarHBondContact O-N 2.7Å; A523-D548 HydrophobicContact CB-CB 4.47Å; A523-D548 WeakPolarHBondContact CB-OD2 3.1Å; A523-S550 WeakPolarHBondContact CB-OG 3.45Å; A523-S551 WeakPolarHBondContact O-CA 3.5Å
524	S	92.1	Very high	94.4	Very high	69 Å²	69	40.6 Å²	40.6	48%	0.483	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	2.9	-178.1	67	0	0	0	0	114.5	P522 F526	P522-S524 PolarHBondContact O-N 3.24Å; S524-F526 PolarHBondContact O-N 3.21Å
525	A	92	Very high	94.5	Very high	11 Å²	11	38.4 Å²	38.4	9%	0.091	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.3	-170.9	0	0	0	0	0	113.9	I500 V521 P522 A523	I500-A525 HydrophobicContact CD1-CB 4.11Å; V521-A525 HydrophobicContact CG1-CB 3.85Å; P522-A525 HydrophobicContact CG-CB 4.18Å; P522-A525 WeakPolarHBondContact O-CB 3.29Å; P522-A525 PolarHBondContact O-N 3.01Å; A523-A525 VanDerWaalsContact C-N 3.32Å; A523-A525 PolarHBondContact O-N 2.7Å
526	F	94.5	Very high	94.5	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	13.3	-175	-56.3	-65.2	0	0	0	113.4	I500 L511 V521 S524 G528 T529 I532 I535 F552 H554 L555	I500-F526 HydrophobicContact CD1-CE1 4.41Å; I500-F526 HydrophobicContact CD1-CE2 4.24Å; I500-F526 HydrophobicContact CD1-CZ 3.7Å; I500-F526 HydrophobicContact CG2-CE1 4.13Å; I500-F526 HydrophobicContact CG2-CZ 4.47Å; L511-F526 HydrophobicContact CD2-CE1 3.83Å; V521-F526 HydrophobicContact CG1-CE2 3.78Å; S524-F526 PolarHBondContact O-N 3.21Å; F526-G528 PolarHBondContact O-N 3.07Å; F526-T529 WeakPolarHBondContact CA-OG1 3.15Å; F526-T529 WeakPolarHBondContact CB-OG1 3.47Å; F526-T529 PolarHBondContact O-N 3.29Å; F526-T529 PolarHBondContact O-OG1 3.07Å; F526-T529 VanDerWaalsContact O-OG1 3.05Å; F526-I532 HydrophobicContact CD1-CD1 3.91Å; F526-I532 HydrophobicContact CE1-CD1 4.44Å; F526-I535 HydrophobicContact CD1-CD1 4.28Å; F526-I535 HydrophobicContact CD2-CD1 4.17Å; F526-I535 HydrophobicContact CE1-CD1 4Å; F526-I535 HydrophobicContact CE2-CD1 3.89Å; F526-I535 HydrophobicContact CG-CD1 4.35Å; F526-I535 HydrophobicContact CZ-CD1 3.79Å; F526-I535 HydrophobicContact CZ-CG2 4.04Å; F526-F552 HydrophobicContact CD2-CD1 4.19Å; F526-F552 AromaticContact CD2-CE1 3.9Å; F526-F552 HydrophobicContact CD2-CE1 3.9Å; F526-F552 HydrophobicContact CE2-CD1 4.23Å; F526-F552 AromaticContact CE2-CE1 3.49Å; F526-F552 HydrophobicContact CE2-CE1 3.49Å; F526-F552 VanDerWaalsContact CE2-CE1 3.49Å; F526-F552 HydrophobicContact CE2-CZ 4.11Å; F526-F552 HydrophobicContact CZ-CE1 4.48Å; F526-H554 VanDerWaalsContact C-NE2 3.33Å; F526-H554 PolarHBondContact O-NE2 2.86Å; F526-L555 HydrophobicContact CB-CD1 4.07Å; F526-L555 HydrophobicContact CB-CD2 4.21Å; F526-L555 HydrophobicContact CD2-CD1 4.37Å; F526-L555 HydrophobicContact CG-CD1 4.27Å
527	E	90.9	Very high	94.4	Very high	145 Å²	145	37 Å²	37	68%	0.678	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-38.3	-176.1	-171.1	177.5	-177.8	0	0	112.3
528	G	89.9	Confident	94.2	Very high	46 Å²	46	36.3 Å²	36.3	47%	0.474	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	3.9	178.8	0	0	0	0	0	115.8	E506 F526 P530	E506-G528 WeakPolarHBondContact CA-O 3.27Å; F526-G528 PolarHBondContact O-N 3.07Å; G528-P530 VanDerWaalsContact C-CD 3.48Å; G528-P530 WeakPolarHBondContact O-CD 3.42Å
529	T	95.2	Very high	94.1	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	24%	0.236	C	C	.	.			trans	-128.8	61.2	-171	58.4	0	0	0	0	113.3	L504 F526 N531 I532 L555	L504-T529 HydrophobicContact CB-CG2 3.39Å; L504-T529 HydrophobicContact CD1-CG2 4.39Å; F526-T529 WeakPolarHBondContact CA-OG1 3.15Å; F526-T529 WeakPolarHBondContact CB-OG1 3.47Å; F526-T529 PolarHBondContact O-N 3.29Å; F526-T529 PolarHBondContact O-OG1 3.07Å; F526-T529 VanDerWaalsContact O-OG1 3.05Å; T529-N531 VanDerWaalsContact C-N 3.26Å; T529-N531 PolarHBondContact O-N 2.9Å; T529-I532 HydrophobicContact CG2-CD1 4.25Å; T529-I532 PolarHBondContact O-N 3.15Å; T529-I532 WeakPolarHBondContact OG1-CD1 3.4Å; T529-L555 VanDerWaalsContact O-CD2 3.23Å; T529-L555 WeakPolarHBondContact O-CD2 3.12Å
530	P	94.8	Very high	94.1	Very high	41 Å²	41	39 Å²	39	27%	0.266	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.8	-174.1	28.9	-36.9	0	0	0	114.7	E506 G528	E506-P530 HydrophobicContact CG-CG 3.82Å; G528-P530 VanDerWaalsContact C-CD 3.48Å; G528-P530 WeakPolarHBondContact O-CD 3.42Å
531	N	96.2	Very high	94	Very high	60 Å²	60	44.2 Å²	44.2	32%	0.321	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4.3	-175.9	-63	-52.6	0	0	0	114.4	E506 L508 T529 K533	E506-N531 PolarHBondContact O-ND2 3.28Å; L508-N531 CarbonylContact O-C 3.55Å; L508-N531 VanDerWaalsContact O-C 3.29Å; T529-N531 VanDerWaalsContact C-N 3.26Å; T529-N531 PolarHBondContact O-N 2.9Å; N531-K533 PolarHBondContact O-N 3.29Å
532	I	97	Very high	93.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.			trans	-62	130.1	-179.7	-72.1	-179.3	0	0	0	110.8	L508 F526 T529 I535 N557 L558	L508-I532 HydrophobicContact CB-CG1 4.48Å; L508-I532 HydrophobicContact CD2-CD1 4.37Å; L508-I532 WeakPolarHBondContact O-CA 3.16Å; L508-I532 VanDerWaalsContact O-CG1 3.29Å; L508-I532 WeakPolarHBondContact O-CG1 3.44Å; L508-I532 PolarHBondContact O-N 2.88Å; F526-I532 HydrophobicContact CD1-CD1 3.91Å; F526-I532 HydrophobicContact CE1-CD1 4.44Å; T529-I532 HydrophobicContact CG2-CD1 4.25Å; T529-I532 PolarHBondContact O-N 3.15Å; T529-I532 WeakPolarHBondContact OG1-CD1 3.4Å; I532-I535 HydrophobicContact CG2-CD1 3.9Å; I532-I535 HydrophobicContact CG2-CG1 3.44Å; I532-I535 VanDerWaalsContact CG2-CG1 3.44Å; I532-N557 CarbonylContact O-C 3.45Å; I532-L558 HydrophobicContact CG2-CD1 4.05Å; I532-L558 PolarHBondContact O-N 3.02Å
533	K	97.9	Very high	93.3	Very high	55 Å²	55	42.6 Å²	42.6	24%	0.239	22%	0.224	C	C	.	.			trans	-104.4	-32.2	174.2	-61.2	174.7	-171.3	161.9	0	112.1	E509 Y510 N531 N557 Q559 V560	E509-K533 HydrophobicContact CB-CD 4.31Å; E509-K533 HydrophobicContact CB-CG 4.46Å; E509-K533 WeakPolarHBondContact O-CA 3.24Å; E509-K533 PolarHBondContact O-N 3.23Å; E509-K533 IonicContact OE1-NZ 2.93Å; E509-K533 PolarHBondContact OE1-NZ 2.71Å; E509-K533 WeakPolarHBondContact OE2-CE 3.31Å; E509-K533 IonicContact OE2-NZ 3.91Å; E509-K533 PolarHBondContact OE2-NZ 3.27Å; Y510-K533 HydrophobicContact CE1-CB 4.25Å; Y510-K533 HydrophobicContact CE2-CD 4.48Å; N531-K533 PolarHBondContact O-N 3.29Å; K533-N557 WeakPolarHBondContact CA-O 3.06Å; K533-N557 HydrophobicContact CG-CB 4.41Å; K533-Q559 WeakPolarHBondContact O-CA 3.2Å; K533-Q559 PolarHBondContact O-N 3.34Å; K533-V560 PolarHBondContact O-N 2.95Å
534	G	97.6	Very high	92.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	127.9	-176.2	0	0	0	0	0	113.9	E509 L511 V560	E509-G534 PolarHBondContact O-N 3.43Å; L511-G534 PolarHBondContact N-O 3.37Å; G534-V560 CarbonylContact C-O 3.29Å; G534-V560 VanDerWaalsContact CA-O 3.32Å; G534-V560 WeakPolarHBondContact CA-O 3.43Å
535	I	97.1	Very high	92.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.7	174.6	-56.7	172	0	0	0	109	F526 I532 L537 F552 L555 L558 V560 L561 D562	F526-I535 HydrophobicContact CD1-CD1 4.28Å; F526-I535 HydrophobicContact CD2-CD1 4.17Å; F526-I535 HydrophobicContact CE1-CD1 4Å; F526-I535 HydrophobicContact CE2-CD1 3.89Å; F526-I535 HydrophobicContact CG-CD1 4.35Å; F526-I535 HydrophobicContact CZ-CD1 3.79Å; F526-I535 HydrophobicContact CZ-CG2 4.04Å; I532-I535 HydrophobicContact CG2-CD1 3.9Å; I532-I535 HydrophobicContact CG2-CG1 3.44Å; I532-I535 VanDerWaalsContact CG2-CG1 3.44Å; I535-L537 HydrophobicContact CG2-CD1 3.69Å; I535-L537 HydrophobicContact CG2-CG 3.96Å; I535-F552 HydrophobicContact CD1-CD1 4.19Å; I535-F552 HydrophobicContact CD1-CE1 4.03Å; I535-L555 HydrophobicContact CD1-CD1 3.84Å; I535-L558 HydrophobicContact CD1-CD1 3.99Å; I535-L558 HydrophobicContact CG1-CD1 4.02Å; I535-V560 PolarHBondContact N-O 3.11Å; I535-L561 HydrophobicContact CB-CD1 3.83Å; I535-L561 HydrophobicContact CD1-CD1 4.28Å; I535-L561 HydrophobicContact CG2-CD1 4.08Å; I535-D562 PolarHBondContact O-N 2.95Å
536	F	96.9	Very high	91.8	Very high	40 Å²	40	46.9 Å²	46.9	18%	0.175	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114.1	-178.6	-56.1	-93.5	0	0	0	111.1	Y510 L511 Y512 L513 Q514 V560 D562	Y510-F536 HydrophobicContact CD1-CE2 4.41Å; L511-F536 PolarHBondContact O-N 3.17Å; Y512-F536 HydrophobicContact CD1-CB 4.05Å; Y512-F536 AromaticContact CD1-CD2 3.36Å; Y512-F536 HydrophobicContact CD1-CD2 3.36Å; Y512-F536 AromaticContact CD1-CE2 3.89Å; Y512-F536 HydrophobicContact CD1-CE2 3.89Å; Y512-F536 AromaticContact CD1-CG 3.73Å; Y512-F536 HydrophobicContact CD1-CG 3.73Å; Y512-F536 HydrophobicContact CE1-CD1 4.41Å; Y512-F536 AromaticContact CE1-CD2 3.36Å; Y512-F536 HydrophobicContact CE1-CD2 3.36Å; Y512-F536 HydrophobicContact CE1-CE1 4.39Å; Y512-F536 AromaticContact CE1-CE2 3.35Å; Y512-F536 HydrophobicContact CE1-CE2 3.35Å; Y512-F536 AromaticContact CE1-CG 3.93Å; Y512-F536 HydrophobicContact CE1-CG 3.93Å; Y512-F536 AromaticContact CE1-CZ 3.9Å; Y512-F536 HydrophobicContact CE1-CZ 3.9Å; Y512-F536 HydrophobicContact CE2-CE2 4.48Å; Y512-F536 HydrophobicContact CG-CD2 4.04Å; Y512-F536 AromaticContact CZ-CE2 3.69Å; L513-F536 CarbonylContact C-O 3.52Å; L513-F536 WeakPolarHBondContact CA-O 3.37Å; L513-F536 WeakPolarHBondContact CB-O 3.42Å; L513-F536 PolarHBondContact N-O 3.34Å; Q514-F536 PolarHBondContact N-O 3.16Å; F536-V560 HydrophobicContact CE1-CG1 3.74Å; F536-V560 HydrophobicContact CZ-CB 4.44Å; F536-V560 HydrophobicContact CZ-CG1 3.93Å; F536-D562 HydrophobicContact CD1-CB 3.85Å; F536-D562 HydrophobicContact CE1-CB 4.49Å
537	L	94.5	Very high	91.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.			trans	-128	13.6	-170.5	-78.3	164.2	0	0	0	113.6	L513 I518 V521 I535 N540 L542 D562 F563 N567	L513-L537 HydrophobicContact CB-CD2 3.8Å; L513-L537 HydrophobicContact CD1-CD2 3.94Å; I518-L537 HydrophobicContact CD1-CD2 4.04Å; V521-L537 HydrophobicContact CG2-CD1 4.2Å; I535-L537 HydrophobicContact CG2-CD1 3.69Å; I535-L537 HydrophobicContact CG2-CG 3.96Å; L537-N540 PolarHBondContact O-ND2 3.32Å; L537-L542 HydrophobicContact CB-CD1 4.17Å; L537-L542 HydrophobicContact CD1-CD1 4.42Å; L537-D562 CarbonylContact C-O 3.54Å; L537-D562 WeakPolarHBondContact CA-O 3.35Å; L537-D562 PolarHBondContact N-O 3.19Å; L537-F563 HydrophobicContact CB-CD1 4.21Å; L537-F563 HydrophobicContact CD1-CD1 4.17Å; L537-F563 HydrophobicContact CD1-CE1 3.73Å; L537-N567 PolarHBondContact O-ND2 3.45Å
538	R	92.1	Very high	91.7	Very high	101 Å²	101	44.6 Å²	44.6	38%	0.381	23%	0.231	S	C	.	.			trans	-55.1	154.8	176.5	-72.4	-170.3	168.9	173.9	8.9	113.3	Q514 S515 N540 D562	Q514-R538 CarbonylContact C-O 3.49Å; Q514-R538 WeakPolarHBondContact CA-O 3.31Å; Q514-R538 HydrophobicContact CB-CB 4.17Å; Q514-R538 WeakPolarHBondContact CB-O 3.47Å; S515-R538 PolarHBondContact N-O 2.83Å; R538-N540 VanDerWaalsContact C-N 3.33Å; R538-N540 PolarHBondContact O-N 3.18Å; R538-N540 PolarHBondContact O-ND2 3.24Å; R538-D562 WeakPolarHBondContact CD-OD2 3.24Å; R538-D562 WeakPolarHBondContact CG-OD1 3.17Å; R538-D562 WeakPolarHBondContact CG-OD2 3.48Å; R538-D562 IonicContact CZ-OD1 2.82Å; R538-D562 VanDerWaalsContact CZ-OD1 3.26Å; R538-D562 IonicContact CZ-OD2 3.73Å; R538-D562 VanDerWaalsContact CZ-OD2 3.32Å; R538-D562 PolarHBondContact N-O 3.15Å; R538-D562 IonicContact NE-OD1 3.7Å; R538-D562 PolarHBondContact NE-OD1 3.07Å; R538-D562 IonicContact NE-OD2 3.85Å; R538-D562 PolarHBondContact NE-OD2 3.22Å; R538-D562 IonicContact NH2-OD1 3.66Å; R538-D562 PolarHBondContact NH2-OD1 3.44Å; R538-D562 IonicContact NH2-OD2 3.84Å
539	F	92.4	Very high	91.6	Very high	105 Å²	105	50.5 Å²	50.5	46%	0.461	25%	0.246	S	C	.	.	S	Bend	trans	53.6	47.3	175.4	-51.8	-70.3	0	0	0	113.1	S515 N516	S515-F539 VanDerWaalsContact CA-O 3.23Å; S515-F539 WeakPolarHBondContact CA-O 3.37Å; S515-F539 PolarHBondContact N-O 3.16Å; N516-F539 PolarHBondContact N-O 3.27Å
540	N	92.6	Very high	91.4	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.032	27%	0.266	C	S	.	.	S	Bend	trans	-111.7	-159.3	172.7	-88	-72.4	0	0	0	109.9	L513 N516 R517 I518 L537 R538 L542 N567	L513-N540 PolarHBondContact O-ND2 3.22Å; N516-N540 VanDerWaalsContact CA-OD1 3.29Å; N516-N540 WeakPolarHBondContact CA-OD1 3.21Å; N516-N540 WeakPolarHBondContact CB-OD1 2.92Å; N516-N540 PolarHBondContact N-OD1 3.21Å; N516-N540 PolarHBondContact O-OD1 3.23Å; R517-N540 PolarHBondContact N-OD1 2.73Å; I518-N540 HydrophobicContact CB-CB 4.34Å; I518-N540 WeakPolarHBondContact CB-OD1 3.32Å; I518-N540 PolarHBondContact N-OD1 3.46Å; L537-N540 PolarHBondContact O-ND2 3.32Å; R538-N540 VanDerWaalsContact C-N 3.33Å; R538-N540 PolarHBondContact O-N 3.18Å; R538-N540 PolarHBondContact O-ND2 3.24Å; N540-L542 HydrophobicContact CB-CG 4.26Å; N540-N567 WeakPolarHBondContact CA-OD1 3.09Å; N540-N567 WeakPolarHBondContact CB-OD1 3.39Å; N540-N567 PolarHBondContact N-OD1 3.13Å; N540-N567 PolarHBondContact O-OD1 3.19Å
541	R	91.5	Very high	91.2	Very high	142 Å²	142	51.4 Å²	51.4	54%	0.536	25%	0.253	S	S	.	.			trans	-118.4	30.5	178.2	-62.3	-176.9	177	-161.7	-5.6	111.5	I518 S519	I518-R541 CarbonylContact O-C 3.14Å; I518-R541 VanDerWaalsContact O-C 3.25Å; I518-R541 WeakPolarHBondContact O-CA 3.47Å; I518-R541 PolarHBondContact O-N 3.19Å; S519-R541 WeakPolarHBondContact CA-O 3.21Å
542	L	89.9	Confident	91	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.244	C	C	.	.			trans	-71.6	132.8	-179.1	-62.4	173.3	0	0	0	110	I518 V521 L537 N540 V547 F563 N567 L570	I518-L542 HydrophobicContact CG2-CD2 4.06Å; I518-L542 PolarHBondContact O-N 3.03Å; V521-L542 HydrophobicContact CG2-CD1 4.27Å; V521-L542 HydrophobicContact CG2-CD2 3.86Å; L537-L542 HydrophobicContact CB-CD1 4.17Å; L537-L542 HydrophobicContact CD1-CD1 4.42Å; N540-L542 HydrophobicContact CB-CG 4.26Å; L542-V547 HydrophobicContact CB-CG2 4.41Å; L542-V547 HydrophobicContact CD1-CG2 4.42Å; L542-V547 HydrophobicContact CD2-CG2 4.36Å; L542-F563 HydrophobicContact CD1-CD1 3.86Å; L542-F563 HydrophobicContact CD1-CE1 4.08Å; L542-N567 HydrophobicContact CB-CB 4.31Å; L542-N567 PolarHBondContact N-OD1 3.32Å; L542-L570 HydrophobicContact CB-CD1 3.87Å
543	S	83.2	Confident	90.7	Very high	28 Å²	28	54 Å²	54	20%	0.196	28%	0.278	C	S	.	.			trans	-102.8	162.8	163.5	63.6	0	0	0	0	110.8	D545 S546 E569	S543-D545 VanDerWaalsContact C-N 3.28Å; S543-D545 PolarHBondContact O-N 2.78Å; S543-S546 PolarHBondContact N-OG 2.75Å; S543-S546 PolarHBondContact O-N 3.09Å; S543-S546 VanDerWaalsContact O-N 3.09Å; S543-S546 PolarHBondContact O-OG 3.37Å; S543-S546 WeakPolarHBondContact OG-CB 3.48Å; S543-S546 PolarHBondContact OG-OG 3.2Å; S543-E569 WeakPolarHBondContact CB-OE2 3.44Å
544	V	76.6	Confident	90.3	Very high	50 Å²	50	54.7 Å²	54.7	30%	0.303	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-57.5	-42.4	-178.3	178.4	0	0	0	0	111.4	S546 L570 K573	V544-S546 PolarHBondContact O-N 3.25Å; V544-L570 HydrophobicContact CG2-CG 4.45Å; V544-K573 HydrophobicContact CG1-CD 4.19Å; V544-K573 HydrophobicContact CG2-CD 4.18Å
545	D	81.1	Confident	90.2	Very high	142 Å²	142	55.1 Å²	55.1	76%	0.759	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-80.3	-5.3	-176.9	-52.6	-32.2	0	0	0	113	S543	S543-D545 VanDerWaalsContact C-N 3.28Å; S543-D545 PolarHBondContact O-N 2.78Å
546	S	86.3	Confident	90	Very high	21 Å²	21	61.2 Å²	61.2	15%	0.147	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-93.1	-4.7	-179.4	74.7	0	0	0	0	113.9	S519 S520 V521 S543 V544	S519-S546 WeakPolarHBondContact O-CB 3.15Å; S519-S546 PolarHBondContact O-OG 2.75Å; S519-S546 VanDerWaalsContact O-OG 3.13Å; S520-S546 CarbonylContact C-O 3.52Å; S520-S546 VanDerWaalsContact CA-O 3.24Å; S520-S546 WeakPolarHBondContact CA-O 3.16Å; S520-S546 WeakPolarHBondContact CB-O 3.21Å; V521-S546 PolarHBondContact N-O 3.34Å; S543-S546 PolarHBondContact N-OG 2.75Å; S543-S546 PolarHBondContact O-N 3.09Å; S543-S546 VanDerWaalsContact O-N 3.09Å; S543-S546 PolarHBondContact O-OG 3.37Å; S543-S546 WeakPolarHBondContact OG-CB 3.48Å; S543-S546 PolarHBondContact OG-OG 3.2Å; V544-S546 PolarHBondContact O-N 3.25Å
547	V	90.8	Very high	89.9	Confident	29 Å²	29	62.6 Å²	62.6	18%	0.176	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-107.7	110.8	180	-179.4	0	0	0	0	108.6	V521 L542 E549 F552 F563	V521-V547 HydrophobicContact CB-CG1 4.29Å; V521-V547 HydrophobicContact CG2-CG2 4.27Å; L542-V547 HydrophobicContact CB-CG2 4.41Å; L542-V547 HydrophobicContact CD1-CG2 4.42Å; L542-V547 HydrophobicContact CD2-CG2 4.36Å; V547-E549 PolarHBondContact O-N 3.35Å; V547-F552 HydrophobicContact CG1-CE2 3.82Å; V547-F552 HydrophobicContact CG1-CZ 4.33Å; V547-F563 HydrophobicContact CG1-CE1 4.13Å; V547-F563 HydrophobicContact CG1-CZ 3.83Å; V547-F563 HydrophobicContact CG2-CE1 4.27Å
548	D	91.2	Very high	90	Very high	69 Å²	69	64.9 Å²	64.9	37%	0.369	34%	0.342	S	S	.	.			trans	-82.5	112.6	174.3	-166.8	-38.8	0	0	0	109.7	V521 A523 S550 S551	V521-D548 WeakPolarHBondContact O-CB 3.42Å; V521-D548 PolarHBondContact O-N 2.92Å; A523-D548 HydrophobicContact CB-CB 4.47Å; A523-D548 WeakPolarHBondContact CB-OD2 3.1Å; D548-S550 VanDerWaalsContact CG-OG 3.29Å; D548-S550 PolarHBondContact O-N 3.23Å; D548-S550 VanDerWaalsContact OD1-CB 3.26Å; D548-S550 WeakPolarHBondContact OD1-CB 3.37Å; D548-S550 PolarHBondContact OD1-N 2.88Å; D548-S550 PolarHBondContact OD1-OG 3.06Å; D548-S551 VanDerWaalsContact O-CB 3.26Å; D548-S551 WeakPolarHBondContact O-CB 3.49Å; D548-S551 PolarHBondContact O-N 3.21Å; D548-S551 PolarHBondContact O-OG 3.39Å
549	E	87.9	Confident	90.1	Very high	170 Å²	170	66.8 Å²	66.8	79%	0.794	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-59.7	-27.3	-179.1	-65	-176.9	177.8	0	0	112.8	V547 S551 F552	V547-E549 PolarHBondContact O-N 3.35Å; E549-S551 PolarHBondContact O-N 2.93Å; E549-F552 PolarHBondContact O-N 3.25Å
550	S	91.5	Very high	90.2	Very high	61 Å²	61	64.7 Å²	64.7	43%	0.427	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-64.6	-20.8	177.8	72	0	0	0	0	112.9	A523 D548 F552 A553	A523-S550 WeakPolarHBondContact CB-OG 3.45Å; D548-S550 VanDerWaalsContact CG-OG 3.29Å; D548-S550 PolarHBondContact O-N 3.23Å; D548-S550 VanDerWaalsContact OD1-CB 3.26Å; D548-S550 WeakPolarHBondContact OD1-CB 3.37Å; D548-S550 PolarHBondContact OD1-N 2.88Å; D548-S550 PolarHBondContact OD1-OG 3.06Å; S550-F552 PolarHBondContact O-N 3.18Å; S550-F552 VanDerWaalsContact O-N 3.13Å; S550-A553 PolarHBondContact O-N 3.38Å
551	S	90.9	Very high	90.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-63.8	-16.1	177.3	68.2	0	0	0	0	114.4	P522 A523 D548 E549 H554	P522-S551 VanDerWaalsContact O-CB 3.25Å; P522-S551 WeakPolarHBondContact O-CB 3.33Å; A523-S551 WeakPolarHBondContact O-CA 3.5Å; D548-S551 VanDerWaalsContact O-CB 3.26Å; D548-S551 WeakPolarHBondContact O-CB 3.49Å; D548-S551 PolarHBondContact O-N 3.21Å; D548-S551 PolarHBondContact O-OG 3.39Å; E549-S551 PolarHBondContact O-N 2.93Å; S551-H554 PolarHBondContact O-CE1 2.76Å; S551-H554 VanDerWaalsContact O-CE1 3.29Å
552	F	92.7	Very high	90.1	Very high	29 Å²	29	62.2 Å²	62.2	13%	0.127	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-107.9	-9.5	179.5	-51.3	-73.2	0	0	0	113.4	V521 F526 I535 V547 E549 S550 H554 L555 L558 L561 F563	V521-F552 HydrophobicContact CG1-CZ 3.89Å; F526-F552 HydrophobicContact CD2-CD1 4.19Å; F526-F552 AromaticContact CD2-CE1 3.9Å; F526-F552 HydrophobicContact CD2-CE1 3.9Å; F526-F552 HydrophobicContact CE2-CD1 4.23Å; F526-F552 AromaticContact CE2-CE1 3.49Å; F526-F552 HydrophobicContact CE2-CE1 3.49Å; F526-F552 VanDerWaalsContact CE2-CE1 3.49Å; F526-F552 HydrophobicContact CE2-CZ 4.11Å; F526-F552 HydrophobicContact CZ-CE1 4.48Å; I535-F552 HydrophobicContact CD1-CD1 4.19Å; I535-F552 HydrophobicContact CD1-CE1 4.03Å; V547-F552 HydrophobicContact CG1-CE2 3.82Å; V547-F552 HydrophobicContact CG1-CZ 4.33Å; E549-F552 PolarHBondContact O-N 3.25Å; S550-F552 PolarHBondContact O-N 3.18Å; S550-F552 VanDerWaalsContact O-N 3.13Å; F552-H554 VanDerWaalsContact C-N 3.26Å; F552-H554 PolarHBondContact O-N 3.03Å; F552-L555 HydrophobicContact CD1-CD1 4.12Å; F552-L555 PolarHBondContact O-N 3.25Å; F552-L555 VanDerWaalsContact O-N 3.09Å; F552-L558 HydrophobicContact CD1-CD2 4.43Å; F552-L561 HydrophobicContact CD1-CD1 4.21Å; F552-L561 HydrophobicContact CD1-CD2 4.01Å; F552-L561 HydrophobicContact CD2-CD2 4.4Å; F552-L561 HydrophobicContact CE1-CD1 3.7Å; F552-L561 HydrophobicContact CE1-CD2 4.08Å; F552-L561 HydrophobicContact CE2-CD2 4.47Å; F552-L561 HydrophobicContact CG-CD2 4.19Å; F552-L561 HydrophobicContact CZ-CD1 4.22Å; F552-L561 HydrophobicContact CZ-CD2 4.33Å; F552-F563 AromaticContact CE2-CZ 3.83Å; F552-F563 VanDerWaalsContact CZ-CZ 3.48Å; F552-F563 HydrophobicContact CZ-CZ 3.48Å; F552-F563 AromaticContact CZ-CZ 3.48Å; F552-F563 HydrophobicContact CZ-CE2 4.34Å; F552-F563 HydrophobicContact CZ-CE1 4.3Å; F552-F563 HydrophobicContact CE2-CZ 3.83Å; F552-F563 HydrophobicContact CE2-CE2 4.49Å; F552-F563 HydrophobicContact CE1-CZ 4.33Å
553	A	89.9	Confident	89.5	Confident	87 Å²	87	64.2 Å²	64.2	72%	0.719	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.6	-167.5	0	0	0	0	0	113.8	S550	S550-A553 PolarHBondContact O-N 3.38Å
554	H	90.2	Very high	88.7	Confident	69 Å²	69	64.4 Å²	64.4	32%	0.319	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.8	179.7	63.2	-70.9	0	0	0	114	F526 S551 F552 V556	F526-H554 VanDerWaalsContact C-NE2 3.33Å; F526-H554 PolarHBondContact O-NE2 2.86Å; S551-H554 PolarHBondContact O-CE1 2.76Å; S551-H554 VanDerWaalsContact O-CE1 3.29Å; F552-H554 VanDerWaalsContact C-N 3.26Å; F552-H554 PolarHBondContact O-N 3.03Å; H554-V556 VanDerWaalsContact C-N 3.34Å; H554-V556 PolarHBondContact O-N 3.44Å
555	L	94.6	Very high	88.3	Confident	9 Å²	9	66.8 Å²	66.8	5%	0.047	38%	0.378	C	S	.	.			trans	-84.8	71.7	-176.8	-58.4	-177.6	0	0	0	111.7	F526 T529 I535 F552 N557 L558	F526-L555 HydrophobicContact CB-CD1 4.07Å; F526-L555 HydrophobicContact CB-CD2 4.21Å; F526-L555 HydrophobicContact CD2-CD1 4.37Å; F526-L555 HydrophobicContact CG-CD1 4.27Å; T529-L555 VanDerWaalsContact O-CD2 3.23Å; T529-L555 WeakPolarHBondContact O-CD2 3.12Å; I535-L555 HydrophobicContact CD1-CD1 3.84Å; F552-L555 HydrophobicContact CD1-CD1 4.12Å; F552-L555 PolarHBondContact O-N 3.25Å; F552-L555 VanDerWaalsContact O-N 3.09Å; L555-N557 PolarHBondContact O-N 3.36Å; L555-N557 VanDerWaalsContact O-N 3.14Å; L555-L558 PolarHBondContact O-N 3.5Å; L555-L558 VanDerWaalsContact O-N 3.13Å; L555-L558 WeakPolarHBondContact O-CB 3.44Å; L555-L558 HydrophobicContact CD1-CD2 4.37Å; L555-L558 HydrophobicContact CB-CD2 4.45Å; L555-L558 HydrophobicContact CB-CB 4Å; L555-L558 VanDerWaalsContact O-CB 3.27Å
556	V	93.3	Very high	87.2	Confident	128 Å²	128	62.1 Å²	62.1	78%	0.776	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22	-175.5	-61.6	0	0	0	0	114.6	H554	H554-V556 VanDerWaalsContact C-N 3.34Å; H554-V556 PolarHBondContact O-N 3.44Å
557	N	94.7	Very high	86.6	Confident	69 Å²	69	61.3 Å²	61.3	37%	0.369	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	2.6	-179	-66.4	-48.8	0	0	0	113.4	I532 K533 L555 Q559	I532-N557 CarbonylContact O-C 3.45Å; K533-N557 WeakPolarHBondContact CA-O 3.06Å; K533-N557 HydrophobicContact CG-CB 4.41Å; L555-N557 PolarHBondContact O-N 3.36Å; L555-N557 VanDerWaalsContact O-N 3.14Å; N557-Q559 PolarHBondContact O-N 2.91Å
558	L	96.1	Very high	85	Confident	48 Å²	48	65 Å²	65	25%	0.251	38%	0.38	S	S	.	.			trans	-67.3	118.6	-174.9	-170.7	66.6	0	0	0	110.9	I532 I535 F552 L555 L561	I532-L558 HydrophobicContact CG2-CD1 4.05Å; I532-L558 PolarHBondContact O-N 3.02Å; I535-L558 HydrophobicContact CD1-CD1 3.99Å; I535-L558 HydrophobicContact CG1-CD1 4.02Å; F552-L558 HydrophobicContact CD1-CD2 4.43Å; L555-L558 PolarHBondContact O-N 3.5Å; L555-L558 VanDerWaalsContact O-N 3.13Å; L555-L558 WeakPolarHBondContact O-CB 3.44Å; L555-L558 HydrophobicContact CD1-CD2 4.37Å; L555-L558 HydrophobicContact CB-CD2 4.45Å; L555-L558 HydrophobicContact CB-CB 4Å; L555-L558 VanDerWaalsContact O-CB 3.27Å; L558-L561 HydrophobicContact CD2-CB 4.19Å; L558-L561 HydrophobicContact CD2-CD2 4.24Å
559	Q	95.8	Very high	83.3	Confident	141 Å²	141	66.5 Å²	66.5	66%	0.659	39%	0.385	S	S	*	.			trans	-106.7	-35	179.4	-64.3	171.7	9.4	0	0	111.6	K533 N557	K533-Q559 WeakPolarHBondContact O-CA 3.2Å; K533-Q559 PolarHBondContact O-N 3.34Å; N557-Q559 PolarHBondContact O-N 2.91Å
560	V	94.4	Very high	81.6	Confident	60 Å²	60	61 Å²	61	36%	0.364	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.9	-175.8	-176.3	0	0	0	0	110	K533 G534 I535 F536	K533-V560 PolarHBondContact O-N 2.95Å; G534-V560 CarbonylContact C-O 3.29Å; G534-V560 VanDerWaalsContact CA-O 3.32Å; G534-V560 WeakPolarHBondContact CA-O 3.43Å; I535-V560 PolarHBondContact N-O 3.11Å; F536-V560 HydrophobicContact CE1-CG1 3.74Å; F536-V560 HydrophobicContact CZ-CB 4.44Å; F536-V560 HydrophobicContact CZ-CG1 3.93Å
561	L	91.9	Very high	79.5	Confident	64 Å²	64	62 Å²	62	34%	0.335	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	102.9	170.9	-178.4	57.3	0	0	0	108.8	I535 F552 L558 F563	I535-L561 HydrophobicContact CB-CD1 3.83Å; I535-L561 HydrophobicContact CD1-CD1 4.28Å; I535-L561 HydrophobicContact CG2-CD1 4.08Å; F552-L561 HydrophobicContact CD1-CD1 4.21Å; F552-L561 HydrophobicContact CD1-CD2 4.01Å; F552-L561 HydrophobicContact CD2-CD2 4.4Å; F552-L561 HydrophobicContact CE1-CD1 3.7Å; F552-L561 HydrophobicContact CE1-CD2 4.08Å; F552-L561 HydrophobicContact CE2-CD2 4.47Å; F552-L561 HydrophobicContact CG-CD2 4.19Å; F552-L561 HydrophobicContact CZ-CD1 4.22Å; F552-L561 HydrophobicContact CZ-CD2 4.33Å; L558-L561 HydrophobicContact CD2-CB 4.19Å; L558-L561 HydrophobicContact CD2-CD2 4.24Å; L561-F563 HydrophobicContact CG-CE2 3.42Å; L561-F563 HydrophobicContact CG-CZ 4.07Å; L561-F563 VanDerWaalsContact CG-CE2 3.42Å; L561-F563 HydrophobicContact CG-CD2 3.87Å; L561-F563 HydrophobicContact CD2-CZ 4.07Å; L561-F563 HydrophobicContact CD2-CE2 3.41Å; L561-F563 HydrophobicContact CD2-CD2 4.24Å; L561-F563 HydrophobicContact CD1-CZ 3.88Å; L561-F563 HydrophobicContact CD1-CE2 3.76Å; L561-F563 HydrophobicContact CD1-CD2 4.34Å; L561-F563 VanDerWaalsContact CD2-CE2 3.41Å
562	D	88.5	Confident	77.3	Confident	32 Å²	32	65.3 Å²	65.3	17%	0.171	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	91.1	-171.4	-173	18	0	0	0	112.4	I535 F536 L537 R538 G564	I535-D562 PolarHBondContact O-N 2.95Å; F536-D562 HydrophobicContact CD1-CB 3.85Å; F536-D562 HydrophobicContact CE1-CB 4.49Å; L537-D562 CarbonylContact C-O 3.54Å; L537-D562 WeakPolarHBondContact CA-O 3.35Å; L537-D562 PolarHBondContact N-O 3.19Å; R538-D562 WeakPolarHBondContact CD-OD2 3.24Å; R538-D562 WeakPolarHBondContact CG-OD1 3.17Å; R538-D562 WeakPolarHBondContact CG-OD2 3.48Å; R538-D562 IonicContact CZ-OD1 2.82Å; R538-D562 VanDerWaalsContact CZ-OD1 3.26Å; R538-D562 IonicContact CZ-OD2 3.73Å; R538-D562 VanDerWaalsContact CZ-OD2 3.32Å; R538-D562 PolarHBondContact N-O 3.15Å; R538-D562 IonicContact NE-OD1 3.7Å; R538-D562 PolarHBondContact NE-OD1 3.07Å; R538-D562 IonicContact NE-OD2 3.85Å; R538-D562 PolarHBondContact NE-OD2 3.22Å; R538-D562 IonicContact NH2-OD1 3.66Å; R538-D562 PolarHBondContact NH2-OD1 3.44Å; R538-D562 IonicContact NH2-OD2 3.84Å; D562-G564 PolarHBondContact OD1-N 2.89Å
563	F	79.1	Confident	75	Confident	42 Å²	42	69.3 Å²	69.3	18%	0.184	41%	0.408	C	S	.	.			trans	-85.2	-13	171	-67.7	-71.8	0	0	0	114.3	L537 L542 V547 F552 L561 N567	L537-F563 HydrophobicContact CB-CD1 4.21Å; L537-F563 HydrophobicContact CD1-CD1 4.17Å; L537-F563 HydrophobicContact CD1-CE1 3.73Å; L542-F563 HydrophobicContact CD1-CD1 3.86Å; L542-F563 HydrophobicContact CD1-CE1 4.08Å; V547-F563 HydrophobicContact CG1-CE1 4.13Å; V547-F563 HydrophobicContact CG1-CZ 3.83Å; V547-F563 HydrophobicContact CG2-CE1 4.27Å; F552-F563 AromaticContact CE2-CZ 3.83Å; F552-F563 VanDerWaalsContact CZ-CZ 3.48Å; F552-F563 HydrophobicContact CZ-CZ 3.48Å; F552-F563 AromaticContact CZ-CZ 3.48Å; F552-F563 HydrophobicContact CZ-CE2 4.34Å; F552-F563 HydrophobicContact CZ-CE1 4.3Å; F552-F563 HydrophobicContact CE2-CZ 3.83Å; F552-F563 HydrophobicContact CE2-CE2 4.49Å; F552-F563 HydrophobicContact CE1-CZ 4.33Å; L561-F563 HydrophobicContact CG-CE2 3.42Å; L561-F563 HydrophobicContact CG-CZ 4.07Å; L561-F563 VanDerWaalsContact CG-CE2 3.42Å; L561-F563 HydrophobicContact CG-CD2 3.87Å; L561-F563 HydrophobicContact CD2-CZ 4.07Å; L561-F563 HydrophobicContact CD2-CE2 3.41Å; L561-F563 HydrophobicContact CD2-CD2 4.24Å; L561-F563 HydrophobicContact CD1-CZ 3.88Å; L561-F563 HydrophobicContact CD1-CE2 3.76Å; L561-F563 HydrophobicContact CD1-CD2 4.34Å; L561-F563 VanDerWaalsContact CD2-CE2 3.41Å; F563-N567 PolarHBondContact O-ND2 3.07Å
564	G	65.3	Low	72.8	Confident	33 Å²	33	75.3 Å²	75.3	34%	0.34	41%	0.412	S	S	.	.			trans	-16.9	-144.2	-161.3	0	0	0	0	0	121.7	D562	D562-G564 PolarHBondContact OD1-N 2.89Å
565	T	67.3	Low	70.4	Confident	99 Å²	99	78.7 Å²	78.7	61%	0.607	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	150.9	-175.9	50.7	0	0	0	0	111.8
566	G	60	Low	67.7	Low	44 Å²	44	86.1 Å²	86.1	45%	0.454	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	5.9	174.1	0	0	0	0	0	115.9
567	N	72.4	Confident	65.1	Low	4 Å²	4	89.4 Å²	89.4	2%	0.021	47%	0.471	C	S	.	.			trans	-89.1	129	160.9	-78.6	-48.1	0	0	0	108.8	L537 N540 L542 F563 E569 L570	L537-N567 PolarHBondContact O-ND2 3.45Å; N540-N567 WeakPolarHBondContact CA-OD1 3.09Å; N540-N567 WeakPolarHBondContact CB-OD1 3.39Å; N540-N567 PolarHBondContact N-OD1 3.13Å; N540-N567 PolarHBondContact O-OD1 3.19Å; L542-N567 HydrophobicContact CB-CB 4.31Å; L542-N567 PolarHBondContact N-OD1 3.32Å; F563-N567 PolarHBondContact O-ND2 3.07Å; N567-E569 PolarHBondContact O-N 2.71Å; N567-L570 HydrophobicContact CB-CB 4.14Å; N567-L570 PolarHBondContact O-N 2.93Å; N567-L570 HydrophobicContact CB-CD1 3.63Å
568	T	57.9	Low	62.4	Low	106 Å²	106	94.8 Å²	94.8	65%	0.65	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.3	-161.9	39.2	0	0	0	0	116
569	E	54	Low	59.4	Low	102 Å²	102	95.9 Å²	95.9	48%	0.477	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.9	2.7	180	-64	-175.1	170.9	0	0	115.2	S543 N567 S571 S572	S543-E569 WeakPolarHBondContact CB-OE2 3.44Å; N567-E569 PolarHBondContact O-N 2.71Å; E569-S571 VanDerWaalsContact C-N 3.31Å; E569-S572 PolarHBondContact O-OG 2.75Å
570	L	53.9	Low	56.3	Low	54 Å²	54	92.3 Å²	92.3	28%	0.283	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-19.7	176.5	-96.2	132.3	0	0	0	112.8	L542 V544 N567	L542-L570 HydrophobicContact CB-CD1 3.87Å; V544-L570 HydrophobicContact CG2-CG 4.45Å; N567-L570 HydrophobicContact CB-CB 4.14Å; N567-L570 PolarHBondContact O-N 2.93Å; N567-L570 HydrophobicContact CB-CD1 3.63Å
571	S	47.3	Very low	53.2	Low	83 Å²	83	99 Å²	99	58%	0.58	55%	0.545	S	S	*	.	S	Bend	trans	-81.7	-23.2	-179.8	55.6	0	0	0	0	114.1	E569 K573	E569-S571 VanDerWaalsContact C-N 3.31Å; S571-K573 PolarHBondContact O-N 2.87Å
572	S	44.8	Very low	50.3	Low	68 Å²	68	102.1 Å²	102.1	48%	0.476	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.6	-18.9	-172.4	51.6	0	0	0	0	114.8	E569	E569-S572 PolarHBondContact O-OG 2.75Å
573	K	43.9	Very low	47.7	Very low	114 Å²	114	107.8 Å²	107.8	50%	0.496	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.7	-7.2	178.2	-78	-170.2	-175.8	170.5	0	115	V544 S571	V544-K573 HydrophobicContact CG1-CD 4.19Å; V544-K573 HydrophobicContact CG2-CD 4.18Å; S571-K573 PolarHBondContact O-N 2.87Å
574	R	43.7	Very low	45.3	Very low	212 Å²	212	114.6 Å²	114.6	80%	0.8	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-29	174.8	-85.9	-172.8	179.6	-173.9	-0.9	112.5
575	D	39.3	Very low	43.7	Very low	141 Å²	141	121.6 Å²	121.6	75%	0.754	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-8.1	-178.6	-62.9	-26.6	0	0	0	113.8
576	E	39	Very low	41.9	Very low	164 Å²	164	125.9 Å²	125.9	77%	0.766	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-2.1	179.6	-73.3	-172.6	164.8	0	0	114.4
577	K	38.8	Very low	40.5	Very low	197 Å²	197	137 Å²	137	86%	0.857	70%	0.701	S	S	*	*	S	Bend	trans	-104.9	0.3	177.8	-84.3	-170.3	176.5	-177.5	0	115.4
578	E	37.6	Very low	38.9	Very low	183 Å²	183	143.6 Å²	143.6	86%	0.855	74%	0.735	S	S	*	*			trans	-113.4	22.7	175.7	-74.7	-170	166.3	0	0	113.8	G580	E578-G580 PolarHBondContact O-N 3.11Å
579	G	32.6	Very low	37.9	Very low	70 Å²	70	145.6 Å²	145.6	72%	0.722	74%	0.739	S	S	*	*			trans	-90.4	76.5	172.1	0	0	0	0	0	112.3	E581	G579-E581 PolarHBondContact O-N 3.29Å
580	G	30.7	Very low	37	Very low	67 Å²	67	148 Å²	148	69%	0.691	75%	0.754	S	S	*	*			trans	-66.2	125.1	167.8	0	0	0	0	0	111.1	E578 V582	E578-G580 PolarHBondContact O-N 3.11Å; G580-V582 PolarHBondContact O-N 3.32Å; G580-V582 VanDerWaalsContact O-N 3.08Å
581	E	30.1	Very low	36.1	Very low	200 Å²	200	153.5 Å²	153.5	94%	0.935	78%	0.781	S	S	*	*			trans	-64.5	103	165.6	-77.7	-178.7	154.2	0	0	109.2	G579	G579-E581 PolarHBondContact O-N 3.29Å
582	V	30.7	Very low	35.3	Very low	130 Å²	130	157.9 Å²	157.9	79%	0.788	79%	0.794	S	S	*	*			trans	-93.8	118.7	160.2	176.9	0	0	0	0	107.7	G580	G580-V582 PolarHBondContact O-N 3.32Å; G580-V582 VanDerWaalsContact O-N 3.08Å
583	I	33.3	Very low	34.7	Very low	151 Å²	151	163.9 Å²	163.9	77%	0.774	82%	0.815	S	S	*	*			trans	-64.5	125.2	169.3	-62.4	162.8	0	0	0	108.5
584	E	28.9	Very low	34.1	Very low	184 Å²	184	167.5 Å²	167.5	86%	0.86	84%	0.838	S	S	*	*			trans	-125.9	118.4	155.6	-90.9	-173.1	165.2	0	0	110
585	Q	31.1	Very low	33.3	Very low	180 Å²	180	164.1 Å²	164.1	84%	0.841	84%	0.841	S	S	*	*			trans	-73.8	137.1	164.3	-71.9	176.7	-24.4	0	0	109
586	E	29.5	Very low	32.8	Very low	190 Å²	190	166 Å²	166	89%	0.888	85%	0.848	S	S	*	*			trans	-154.6	124.1	138.1	-114.9	-174.6	-172.4	0	0	112.2
587	K	31.5	Very low	32.3	Very low	276 Å²	276	166.2 Å²	166.2	100%	1.2	86%	0.855	S	S	*	*			trans	79.2	0	170.3	-73.6	-177.8	179.3	171	0	120.8

Retrieved 587 of 587 residues in 768.5 ms (Link to these results)

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