A0A087Y0G6_POEFO Loading...

WD repeat domain 5

AlphaFold DB (A0A3Q2E9J2), UniProt , Accession A0A087Y0G6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 333 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	43.8	Very low	41.5	Very low	247 Å²	247	167.8 Å²	167.8	100%	1.217	88%	0.883	S	S	*	*				0	112.3	0	-112.5	167.6	166	0	0	106.3
2	A	42.1	Very low	41.4	Very low	98 Å²	98	164.4 Å²	164.4	81%	0.81	88%	0.875	S	S	*	*			trans	-70.9	135.7	-165.3	0	0	0	0	0	112.1
3	T	41.3	Very low	41.9	Very low	134 Å²	134	166.5 Å²	166.5	82%	0.822	87%	0.872	S	S	*	*			trans	-102.4	108.6	162	43.8	0	0	0	0	106.9
4	E	41.3	Very low	42.4	Very low	190 Å²	190	161.9 Å²	161.9	89%	0.888	86%	0.857	S	S	*	*			trans	-83	115.5	176.2	-78.4	178.9	149.8	0	0	110.1
5	D	43.9	Very low	42.2	Very low	159 Å²	159	159.4 Å²	159.4	85%	0.85	85%	0.853	S	S	*	*			trans	-80.7	125.5	170.4	-85.3	-45.7	0	0	0	111	K7	D5-K7 PolarHBondContact O-N 3.32Å
6	K	39.8	Very low	42.3	Very low	215 Å²	215	157.5 Å²	157.5	94%	0.935	85%	0.849	S	S	*	*			trans	-81.3	109.5	-179.6	-143.3	177.7	-173.3	-178.7	0	109.6
7	K	44.9	Very low	42.3	Very low	193 Å²	193	155.4 Å²	155.4	84%	0.839	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-89.5	146.1	175.3	-141.9	176.2	-176.3	-178	0	110.3	D5	D5-K7 PolarHBondContact O-N 3.32Å
8	P	40.4	Very low	42.1	Very low	117 Å²	117	153.2 Å²	153.2	76%	0.76	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-78.7	136	-176.8	3.2	12.9	0	0	0	111.9	T10	P8-T10 PolarHBondContact O-N 2.9Å
9	E	38.8	Very low	41.8	Very low	200 Å²	200	150.7 Å²	150.7	94%	0.935	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-70.9	121.7	169.9	-74.8	178.4	153	0	0	110.2
10	T	40.8	Very low	42	Very low	119 Å²	119	148.5 Å²	148.5	73%	0.73	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-93	118.2	170.2	44.8	0	0	0	0	109.6	P8 T12	P8-T10 PolarHBondContact O-N 2.9Å; T10-T12 PolarHBondContact O-N 2.78Å
11	D	39	Very low	41.8	Very low	174 Å²	174	146.4 Å²	146.4	93%	0.93	83%	0.829	S	S	*	*			trans	-61	99.2	169.9	-92.7	-41.1	0	0	0	111.4
12	T	40.2	Very low	41.5	Very low	127 Å²	127	139.1 Å²	139.1	78%	0.779	81%	0.809	S	S	*	*			trans	-98.6	102.7	166.9	45.8	0	0	0	0	110.3	T10	T10-T12 PolarHBondContact O-N 2.78Å
13	K	47.9	Very low	41.2	Very low	192 Å²	192	140 Å²	140	84%	0.835	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-61.6	135.7	170.2	-156.8	176	-172.1	178.5	0	110
14	P	48.8	Very low	41.2	Very low	102 Å²	102	142.6 Å²	142.6	66%	0.662	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-66.2	147.2	179.1	24.9	-31.9	0	0	0	111.5	V16	P14-V16 PolarHBondContact O-N 3.12Å
15	P	40.5	Very low	41.1	Very low	124 Å²	124	138.7 Å²	138.7	81%	0.805	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-64.1	126.8	179.7	24.4	-30.7	0	0	0	110.6	V17	P15-V17 PolarHBondContact O-N 2.77Å
16	V	42.7	Very low	41.3	Very low	129 Å²	129	140.9 Å²	140.9	78%	0.782	81%	0.807	S	S	*	*			trans	-65.6	113.7	174.1	177.5	0	0	0	0	108.2	P14	P14-V16 PolarHBondContact O-N 3.12Å
17	V	42.6	Very low	41.5	Very low	121 Å²	121	135.5 Å²	135.5	73%	0.733	80%	0.797	S	S	*	*			trans	-61.9	125.1	168	-177.2	0	0	0	0	107.5	P15 S19	P15-V17 PolarHBondContact O-N 2.77Å; V17-S19 PolarHBondContact O-N 2.58Å; V17-S19 VanDerWaalsContact O-N 3.13Å
18	P	38.3	Very low	42	Very low	117 Å²	117	130.6 Å²	130.6	76%	0.76	79%	0.792	S	S	*	*			trans	-65.1	118.7	174.6	-7.1	19	0	0	0	108.6	A20	P18-A20 PolarHBondContact O-N 3.5Å; P18-A20 VanDerWaalsContact O-N 3.13Å
19	S	36.7	Very low	43	Very low	106 Å²	106	129.5 Å²	129.5	74%	0.741	79%	0.785	S	S	*	*			trans	-61.1	114.2	171.6	47.9	0	0	0	0	109.3	V17 S21	V17-S19 PolarHBondContact O-N 2.58Å; V17-S19 VanDerWaalsContact O-N 3.13Å; S19-S21 PolarHBondContact O-N 3.4Å
20	A	46	Very low	45	Very low	105 Å²	105	123.3 Å²	123.3	87%	0.868	77%	0.768	S	S	*	*			trans	-67.5	95.7	164.4	0	0	0	0	0	108.7	P18	P18-A20 PolarHBondContact O-N 3.5Å; P18-A20 VanDerWaalsContact O-N 3.13Å
21	S	38.9	Very low	47.4	Very low	105 Å²	105	124.5 Å²	124.5	73%	0.734	76%	0.763	S	S	*	*			trans	-170.4	86.2	157.6	45.1	0	0	0	0	111.9	S19	S19-S21 PolarHBondContact O-N 3.4Å
22	A	35.8	Very low	50.1	Low	95 Å²	95	116.5 Å²	116.5	79%	0.785	72%	0.721	S	S	*	*			trans	-144.6	80.6	140.1	0	0	0	0	0	106	Q24	A22-Q24 PolarHBondContact O-N 2.83Å
23	S	36.9	Very low	52.8	Low	116 Å²	116	113.7 Å²	113.7	81%	0.811	70%	0.701	S	S	*	*			trans	-53.7	112.2	154.4	44	0	0	0	0	105.4	S25	S23-S25 VanDerWaalsContact C-N 3.27Å; S23-S25 PolarHBondContact O-N 3.24Å
24	Q	40.3	Very low	55.2	Low	189 Å²	189	104.9 Å²	104.9	88%	0.883	66%	0.663	S	S	*	*			trans	-54.7	104.5	163.5	-75.1	178.9	-12.1	0	0	105.4	A22 K26	A22-Q24 PolarHBondContact O-N 2.83Å; Q24-K26 PolarHBondContact O-N 2.99Å
25	S	40.4	Very low	57.5	Low	108 Å²	108	102.5 Å²	102.5	76%	0.755	65%	0.648	S	S	*	*			trans	-59	109.1	168.6	50.4	0	0	0	0	104.6	S23 S27	S23-S25 VanDerWaalsContact C-N 3.27Å; S23-S25 PolarHBondContact O-N 3.24Å; S25-S27 VanDerWaalsContact C-N 3.27Å; S25-S27 PolarHBondContact O-N 3.04Å
26	K	46.6	Very low	60.3	Low	204 Å²	204	100.1 Å²	100.1	89%	0.887	63%	0.628	S	S	*	*			trans	-55.6	107.3	161	-81.2	-175.9	176.4	179.5	0	104.3	Q24 A28	Q24-K26 PolarHBondContact O-N 2.99Å; K26-A28 PolarHBondContact O-N 2.95Å
27	S	44.9	Very low	63	Low	103 Å²	103	99 Å²	99	72%	0.72	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-47.2	135.7	172.4	43.5	0	0	0	0	107.3	S25 P29	S25-S27 VanDerWaalsContact C-N 3.27Å; S25-S27 PolarHBondContact O-N 3.04Å; S27-P29 VanDerWaalsContact O-N 3.16Å
28	A	55.4	Low	65.7	Low	89 Å²	89	97 Å²	97	74%	0.736	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-50.1	129	177	0	0	0	0	0	107.7	K26 A30	K26-A28 PolarHBondContact O-N 2.95Å; A28-A30 PolarHBondContact O-N 2.81Å
29	P	61.5	Low	68.5	Low	95 Å²	95	94.9 Å²	94.9	62%	0.617	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-57	122.1	-175.9	19.8	-29.3	0	0	0	108.2	S27 K31	S27-P29 VanDerWaalsContact O-N 3.16Å; P29-K31 PolarHBondContact O-N 2.76Å
30	A	80.6	Confident	71.5	Confident	70 Å²	70	90 Å²	90	58%	0.579	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-54.7	141.2	-179.2	0	0	0	0	0	109.8	A28	A28-A30 PolarHBondContact O-N 2.81Å
31	K	91.1	Very high	74	Confident	143 Å²	143	88.5 Å²	88.5	62%	0.622	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-59.8	143	171.8	-66.6	-176.9	179.4	-175.8	0	108.6	P29 V293	P29-K31 PolarHBondContact O-N 2.76Å; K31-V293 HydrophobicContact CG-CB 4.29Å; K31-V293 HydrophobicContact CG-CG1 4.48Å
32	P	95.2	Very high	76.8	Confident	6 Å²	6	85.4 Å²	85.4	4%	0.039	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-65.7	157	175.1	31.4	-34	0	0	0	109.9	Y34 W272 I284 V293 Q294	P32-Y34 HydrophobicContact CB-CD2 3.75Å; P32-Y34 HydrophobicContact CB-CE2 3.75Å; P32-Y34 HydrophobicContact CG-CD2 4.35Å; P32-Y34 HydrophobicContact CG-CE2 4.43Å; P32-W272 HydrophobicContact CG-CD2 4.46Å; P32-W272 HydrophobicContact CG-CZ2 4.24Å; P32-I284 HydrophobicContact CG-CG2 4.16Å; P32-V293 HydrophobicContact CG-CG2 3.82Å; P32-Q294 HydrophobicContact CG-CB 4.47Å; P32-Q294 PolarHBondContact O-OE1 3.41Å; P32-Q294 VanDerWaalsContact O-OE1 3.11Å
33	N	97.1	Very high	79.8	Confident	68 Å²	68	81.5 Å²	81.5	36%	0.364	48%	0.483	S	S	.	.			trans	-126.6	45	-178.1	68.4	-24	0	0	0	111.4	S35 S331 D332	N33-S35 PolarHBondContact O-N 2.95Å; N33-S35 VanDerWaalsContact O-N 3.16Å; N33-S331 PolarHBondContact N-OG 3.13Å; N33-S331 VanDerWaalsContact N-OG 3.07Å; N33-S331 PolarHBondContact OD1-OG 3.13Å; N33-D332 PolarHBondContact ND2-OD2 3.5Å; N33-D332 PolarHBondContact OD1-N 3.21Å
34	Y	98.6	Very high	82.7	Confident	8 Å²	8	80.7 Å²	80.7	3%	0.031	47%	0.473	C	S	.	.			trans	-53.9	123.1	178.9	-76.9	-82.9	0	0	0	111.2	P32 I284 Q294 N313 I315 W329 K330	P32-Y34 HydrophobicContact CB-CD2 3.75Å; P32-Y34 HydrophobicContact CB-CE2 3.75Å; P32-Y34 HydrophobicContact CG-CD2 4.35Å; P32-Y34 HydrophobicContact CG-CE2 4.43Å; Y34-I284 HydrophobicContact CD2-CD1 3.38Å; Y34-I284 HydrophobicContact CE2-CD1 3.88Å; Y34-I284 HydrophobicContact CG-CD1 4.1Å; Y34-Q294 PolarHBondContact O-NE2 3.36Å; Y34-N313 VanDerWaalsContact CE1-O 3.23Å; Y34-N313 WeakPolarHBondContact CE1-O 3.45Å; Y34-I315 HydrophobicContact CD1-CB 4.37Å; Y34-I315 HydrophobicContact CD1-CD1 3.84Å; Y34-I315 HydrophobicContact CD1-CG1 4.12Å; Y34-I315 HydrophobicContact CD2-CD1 3.94Å; Y34-I315 HydrophobicContact CE1-CB 4.18Å; Y34-I315 HydrophobicContact CE1-CD1 3.55Å; Y34-I315 HydrophobicContact CE1-CG1 3.58Å; Y34-I315 HydrophobicContact CE2-CD1 3.67Å; Y34-I315 HydrophobicContact CE2-CG1 4.5Å; Y34-I315 HydrophobicContact CG-CD1 4.03Å; Y34-I315 VanDerWaalsContact CZ-CD1 3.47Å; Y34-W329 HydrophobicContact CD1-CB 3.99Å; Y34-K330 WeakPolarHBondContact CA-O 3.2Å
35	S	98.4	Very high	85.5	Confident	51 Å²	51	76.6 Å²	76.6	36%	0.357	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.9	176.4	56.7	0	0	0	0	110	N33 K37 W329 K330	N33-S35 PolarHBondContact O-N 2.95Å; N33-S35 VanDerWaalsContact O-N 3.16Å; S35-K37 PolarHBondContact O-N 2.85Å; S35-K37 PolarHBondContact OG-NZ 2.9Å; S35-W329 CarbonylContact O-C 3.58Å; S35-W329 VanDerWaalsContact O-CA 3.27Å; S35-W329 WeakPolarHBondContact O-CA 3.38Å; S35-K330 PolarHBondContact N-O 3Å; S35-K330 PolarHBondContact O-N 2.93Å; S35-K330 PolarHBondContact OG-O 3.3Å
36	L	98.8	Very high	88.3	Confident	74 Å²	74	72.2 Å²	72.2	39%	0.387	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	128.1	178	-178.1	63.2	0	0	0	109.8	F38 K327 W329	L36-F38 WeakPolarHBondContact CD1-O 3.2Å; L36-K327 HydrophobicContact CD1-CB 3.67Å; L36-K327 HydrophobicContact CD1-CD 4.05Å; L36-K327 HydrophobicContact CD1-CG 3.85Å; L36-W329 HydrophobicContact CB-CE3 3.84Å; L36-W329 HydrophobicContact CB-CH2 4.48Å; L36-W329 HydrophobicContact CB-CZ3 3.75Å; L36-W329 HydrophobicContact CD1-CD2 4.32Å; L36-W329 HydrophobicContact CD1-CE3 4.26Å; L36-W329 HydrophobicContact CD1-CH2 4.3Å; L36-W329 HydrophobicContact CD1-CZ2 4.37Å; L36-W329 HydrophobicContact CD1-CZ3 4.24Å
37	K	98.6	Very high	90.8	Very high	105 Å²	105	62.5 Å²	62.5	46%	0.457	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-44.3	174.4	-61.7	-57.2	-178.4	-172.5	0	112	S35 L328 K330	S35-K37 PolarHBondContact O-N 2.85Å; S35-K37 PolarHBondContact OG-NZ 2.9Å; K37-L328 PolarHBondContact N-O 2.71Å; K37-K330 HydrophobicContact CD-CB 4.48Å; K37-K330 HydrophobicContact CG-CB 3.72Å
38	F	98.7	Very high	93.4	Very high	79 Å²	79	58.5 Å²	58.5	35%	0.346	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.5	-176.4	-51.3	-75.1	0	0	0	111.5	L36 L40 Y74 D75 K327 L328	L36-F38 WeakPolarHBondContact CD1-O 3.2Å; F38-L40 HydrophobicContact CB-CD1 3.64Å; F38-Y74 VanDerWaalsContact CE2-O 3.27Å; F38-Y74 WeakPolarHBondContact CE2-O 3.48Å; F38-D75 WeakPolarHBondContact CD1-O 3.46Å; F38-D75 WeakPolarHBondContact CE1-O 3.23Å; F38-K327 WeakPolarHBondContact O-CA 3.48Å; F38-L328 HydrophobicContact CB-CB 4.16Å; F38-L328 HydrophobicContact CB-CD1 4.36Å; F38-L328 HydrophobicContact CD2-CB 4.06Å; F38-L328 HydrophobicContact CD2-CD1 3.96Å; F38-L328 PolarHBondContact N-O 3.29Å; F38-L328 PolarHBondContact O-N 3.31Å
39	T	98.8	Very high	95.4	Very high	73 Å²	73	54.3 Å²	54.3	45%	0.448	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.4	164.7	-62.9	0	0	0	0	107.7	T325 I326 K327	T39-T325 HydrophobicContact CG2-CG2 3.95Å; T39-I326 CarbonylContact C-O 3.51Å; T39-I326 WeakPolarHBondContact CA-O 3.48Å; T39-K327 HydrophobicContact CG2-CG 4.44Å; T39-K327 PolarHBondContact OG1-NZ 2.74Å
40	L	98.7	Very high	97.2	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.3	-175.5	-72.9	63.9	0	0	0	107.4	F38 L59 W71 G76 I326 L328	F38-L40 HydrophobicContact CB-CD1 3.64Å; L40-L59 HydrophobicContact CD2-CD2 4.28Å; L40-W71 HydrophobicContact CB-CD2 4.37Å; L40-W71 HydrophobicContact CB-CE3 4Å; L40-W71 HydrophobicContact CB-CH2 4.29Å; L40-W71 HydrophobicContact CB-CZ3 3.96Å; L40-W71 HydrophobicContact CD2-CB 3.7Å; L40-W71 HydrophobicContact CD2-CD2 3.61Å; L40-W71 HydrophobicContact CD2-CE3 3.73Å; L40-W71 HydrophobicContact CD2-CG 3.59Å; L40-W71 HydrophobicContact CG-CD2 4.31Å; L40-W71 HydrophobicContact CG-CE3 3.94Å; L40-W71 HydrophobicContact CG-CZ3 4.35Å; L40-G76 WeakPolarHBondContact CG-O 3.34Å; L40-I326 HydrophobicContact CB-CB 4.03Å; L40-I326 HydrophobicContact CD2-CG2 4.32Å; L40-I326 PolarHBondContact N-O 2.87Å; L40-I326 PolarHBondContact O-N 3.35Å; L40-L328 HydrophobicContact CD1-CD1 3.96Å; L40-L328 HydrophobicContact CD1-CG 3.9Å; L40-L328 HydrophobicContact CD2-CD1 4.4Å
41	A	98.5	Very high	98.1	Very high	73 Å²	73	48.1 Å²	48.1	60%	0.603	27%	0.268	S	S	*	.			trans	-107.2	145.5	176.7	0	0	0	0	0	110.2	W71	A41-W71 WeakPolarHBondContact O-CH2 3.45Å
42	G	98.1	Very high	98.5	Very high	40 Å²	40	42.2 Å²	42.2	41%	0.412	24%	0.242	S	C	.	.			trans	158.4	-20.6	173.5	0	0	0	0	0	115.1	K69	G42-K69 WeakPolarHBondContact O-CE 3.44Å
43	H	98.8	Very high	98.6	Very high	13 Å²	13	42 Å²	42	6%	0.06	24%	0.241	C	C	.	.			trans	-70.7	143.4	166.5	-79	-64.9	0	0	0	110.3	V47 S61 S63 D65	H43-V47 HydrophobicContact CB-CG2 3.98Å; H43-S61 PolarHBondContact NE2-OG 3Å; H43-S63 VanDerWaalsContact CE1-CB 3.46Å; H43-S63 WeakPolarHBondContact CE1-CB 3.26Å; H43-S63 WeakPolarHBondContact ND1-CB 3.31Å; H43-D65 WeakPolarHBondContact CA-OD2 3.35Å; H43-D65 IonicContact CE1-OD1 3.48Å; H43-D65 IonicContact CE1-OD2 2.88Å; H43-D65 IonicContact CG-OD2 3.74Å; H43-D65 IonicContact ND1-OD1 3.95Å; H43-D65 PolarHBondContact ND1-OD1 2.93Å; H43-D65 IonicContact ND1-OD2 2.69Å; H43-D65 PolarHBondContact ND1-OD2 3.1Å
44	T	98.8	Very high	98.7	Very high	99 Å²	99	41.6 Å²	41.6	61%	0.607	24%	0.242	S	C	*	.	S	Bend	trans	-99.7	-7.5	-176.9	59.2	0	0	0	0	113.4	D65	T44-D65 PolarHBondContact N-OD2 2.76Å; T44-D65 VanDerWaalsContact N-OD2 3.1Å; T44-D65 WeakPolarHBondContact OG1-CB 3.39Å
45	K	98.8	Very high	98.7	Very high	103 Å²	103	43.8 Å²	43.8	45%	0.448	26%	0.258	S	S	.	.	S	Bend	trans	-138.2	177.3	174.8	-66.2	-167.3	172.6	-169.3	0	110.5	V47 S63 A64 D65 E321	K45-V47 PolarHBondContact O-N 3.5Å; K45-S63 PolarHBondContact O-OG 3.29Å; K45-S63 VanDerWaalsContact O-OG 3.11Å; K45-A64 HydrophobicContact CB-CB 4Å; K45-A64 HydrophobicContact CD-CB 4.3Å; K45-D65 HydrophobicContact CB-CB 4.05Å; K45-D65 HydrophobicContact CG-CB 4.21Å; K45-E321 VanDerWaalsContact CA-OE2 3.32Å; K45-E321 WeakPolarHBondContact CA-OE2 3.49Å; K45-E321 WeakPolarHBondContact CB-OE2 3.37Å
46	A	98.8	Very high	98.7	Very high	16 Å²	16	41.3 Å²	41.3	13%	0.132	24%	0.241	C	C	.	.			trans	-41.6	125.9	175.9	0	0	0	0	0	111.9	S63 A64 L320 E321	A46-S63 VanDerWaalsContact O-CA 3.32Å; A46-S63 WeakPolarHBondContact O-CA 3.38Å; A46-S63 WeakPolarHBondContact O-CB 3.19Å; A46-S63 PolarHBondContact O-OG 2.81Å; A46-A64 HydrophobicContact CB-CB 4.46Å; A46-A64 PolarHBondContact O-N 3.03Å; A46-L320 HydrophobicContact CB-CB 4.41Å; A46-L320 HydrophobicContact CB-CD2 4.14Å; A46-E321 HydrophobicContact CB-CB 4.23Å; A46-E321 PolarHBondContact N-OE2 3.31Å
47	V	98.9	Very high	98.7	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	136	168.8	-173.9	0	0	0	0	106.7	H43 K45 V50 S62 I304 A318 A319 K324 I326	H43-V47 HydrophobicContact CB-CG2 3.98Å; K45-V47 PolarHBondContact O-N 3.5Å; V47-V50 HydrophobicContact CG1-CG1 4.29Å; V47-S62 VanDerWaalsContact CG1-O 3.28Å; V47-S62 WeakPolarHBondContact CG1-O 3.35Å; V47-I304 WeakPolarHBondContact O-CG2 3.21Å; V47-A318 HydrophobicContact CB-CB 3.9Å; V47-A318 HydrophobicContact CG1-CB 3.56Å; V47-A319 PolarHBondContact N-O 3.02Å; V47-K324 WeakPolarHBondContact CG2-O 3.13Å; V47-I326 HydrophobicContact CG1-CD1 4.24Å; V47-I326 HydrophobicContact CG1-CG1 4.06Å; V47-I326 HydrophobicContact CG2-CG1 4.23Å
48	S	98.9	Very high	98.7	Very high	19 Å²	19	41.5 Å²	41.5	13%	0.133	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-36.6	-174.9	54.3	0	0	0	0	113	S62 I89 S90	S48-S62 PolarHBondContact N-O 3.3Å; S48-S62 VanDerWaalsContact OG-C 3.25Å; S48-S62 PolarHBondContact OG-O 2.86Å; S48-S62 VanDerWaalsContact OG-O 3.08Å; S48-S62 PolarHBondContact OG-OG 3.49Å; S48-I89 VanDerWaalsContact CB-O 3.24Å; S48-I89 WeakPolarHBondContact CB-O 3.25Å; S48-I89 PolarHBondContact OG-O 3.12Å; S48-S90 WeakPolarHBondContact CB-O 3.43Å; S48-S90 PolarHBondContact OG-O 3.21Å
49	S	98.9	Very high	98.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	144.5	-175.9	-171.1	0	0	0	0	111	K51 S61 S62 D91	S49-K51 VanDerWaalsContact OG-CE 3.23Å; S49-K51 WeakPolarHBondContact OG-CE 3.21Å; S49-K51 PolarHBondContact OG-NZ 2.72Å; S49-S61 CarbonylContact O-C 3.55Å; S49-S61 VanDerWaalsContact O-CA 3.26Å; S49-S61 WeakPolarHBondContact O-CA 3.5Å; S49-S62 VanDerWaalsContact CB-OG 3.32Å; S49-S62 WeakPolarHBondContact CB-OG 3.47Å; S49-S62 PolarHBondContact N-OG 3.44Å; S49-S62 PolarHBondContact O-N 2.92Å; S49-D91 WeakPolarHBondContact CB-OD1 3.26Å; S49-D91 PolarHBondContact OG-OD1 3.2Å
50	V	98.9	Very high	98.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.9	169.3	-72.8	0	0	0	0	110	V47 L59 A60 S305 A307 A316 A318 I326	V47-V50 HydrophobicContact CG1-CG1 4.29Å; V50-L59 HydrophobicContact CB-CD1 4.12Å; V50-A60 CarbonylContact C-O 3.59Å; V50-A60 VanDerWaalsContact CA-O 3.3Å; V50-A60 WeakPolarHBondContact CA-O 3.5Å; V50-S305 PolarHBondContact N-OG 3.33Å; V50-S305 VanDerWaalsContact N-OG 3.14Å; V50-A307 HydrophobicContact CG2-CB 4.32Å; V50-A307 WeakPolarHBondContact O-CB 3.31Å; V50-A316 HydrophobicContact CG2-CB 4.17Å; V50-A318 HydrophobicContact CG1-CB 3.66Å; V50-A318 HydrophobicContact CG2-CB 4.19Å; V50-I326 HydrophobicContact CG1-CD1 4.02Å; V50-I326 HydrophobicContact CG1-CG1 3.89Å; V50-I326 HydrophobicContact CG1-CG2 4.05Å
51	K	98.9	Very high	98.8	Very high	36 Å²	36	34 Å²	34	16%	0.157	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	128.7	177.8	-56	-66.3	162.3	59.2	0	111.4	S49 A60 D91 V92 W94	S49-K51 VanDerWaalsContact OG-CE 3.23Å; S49-K51 WeakPolarHBondContact OG-CE 3.21Å; S49-K51 PolarHBondContact OG-NZ 2.72Å; K51-A60 PolarHBondContact N-O 2.92Å; K51-A60 PolarHBondContact O-N 3.48Å; K51-D91 IonicContact NZ-OD1 2.56Å; K51-D91 PolarHBondContact NZ-OD1 3.4Å; K51-D91 IonicContact NZ-OD2 3.4Å; K51-V92 HydrophobicContact CG-CG1 4.34Å; K51-V92 WeakPolarHBondContact CG-O 3.24Å; K51-V92 PolarHBondContact NZ-O 2.96Å; K51-W94 PolarHBondContact O-NE1 2.8Å
52	F	98.9	Very high	98.8	Very high	19 Å²	19	30.5 Å²	30.5	8%	0.083	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	144.8	168	-71.1	-74.1	0	0	0	110.7	W58 L59 A73 W94 A307 H309 I314 A316 L328	F52-W58 CarbonylContact C-O 3.58Å; F52-W58 VanDerWaalsContact CA-O 3.31Å; F52-W58 WeakPolarHBondContact CA-O 3.19Å; F52-L59 HydrophobicContact CD1-CB 4.25Å; F52-L59 HydrophobicContact CD1-CD1 3.93Å; F52-L59 HydrophobicContact CD2-CD1 4.31Å; F52-L59 HydrophobicContact CE1-CB 4.24Å; F52-L59 HydrophobicContact CE1-CD1 3.96Å; F52-L59 HydrophobicContact CE2-CD1 4.35Å; F52-L59 HydrophobicContact CG-CD1 4.12Å; F52-L59 HydrophobicContact CZ-CD1 4.18Å; F52-A73 HydrophobicContact CD1-CB 3.83Å; F52-A73 HydrophobicContact CE1-CB 3.76Å; F52-W94 VanDerWaalsContact O-CD1 3.26Å; F52-A307 HydrophobicContact CD2-CB 3.89Å; F52-A307 HydrophobicContact CE2-CB 4.19Å; F52-H309 AromaticContact CD1-CD2 3.65Å; F52-H309 HydrophobicContact CD2-CB 4.12Å; F52-H309 AromaticContact CE1-CD2 3.82Å; F52-H309 HydrophobicContact CE2-CB 4.07Å; F52-H309 HydrophobicContact CG-CB 4.36Å; F52-H309 HydrophobicContact CZ-CB 4.28Å; F52-I314 HydrophobicContact CE1-CG2 4.45Å; F52-I314 HydrophobicContact CZ-CG2 3.8Å; F52-A316 HydrophobicContact CE2-CB 3.73Å; F52-A316 HydrophobicContact CZ-CB 3.7Å; F52-L328 HydrophobicContact CE1-CD2 4.35Å; F52-L328 HydrophobicContact CZ-CD2 3.97Å
53	S	98.9	Very high	98.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	15%	0.151	C	C	.	.			trans	-65.1	147.9	167.8	68.1	0	0	0	0	109.7	S55 G56 E57 W58	S53-S55 PolarHBondContact O-N 3.16Å; S53-S55 PolarHBondContact OG-OG 2.91Å; S53-G56 PolarHBondContact O-N 2.6Å; S53-G56 PolarHBondContact OG-N 3.05Å; S53-E57 PolarHBondContact OG-N 2.82Å; S53-W58 PolarHBondContact N-O 2.89Å; S53-W58 PolarHBondContact OG-N 3.47Å; S53-W58 VanDerWaalsContact OG-N 3.1Å
54	P	98.7	Very high	98.8	Very high	60 Å²	60	30 Å²	30	39%	0.39	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.5	174.8	-31.3	38.9	0	0	0	114.3	G56 W94 S95 S96 S98	P54-G56 PolarHBondContact O-N 3.32Å; P54-W94 HydrophobicContact CG-CB 4.31Å; P54-S95 WeakPolarHBondContact CG-O 3.32Å; P54-S96 WeakPolarHBondContact CB-O 3.39Å; P54-S98 WeakPolarHBondContact CD-OG 3.47Å
55	S	98.3	Very high	98.8	Very high	53 Å²	53	25.8 Å²	25.8	37%	0.371	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.7	171.8	64.8	0	0	0	0	113.9	S53 E57 S98	S53-S55 PolarHBondContact O-N 3.16Å; S53-S55 PolarHBondContact OG-OG 2.91Å; S55-E57 VanDerWaalsContact C-N 3.25Å; S55-E57 PolarHBondContact O-N 3.48Å; S55-E57 PolarHBondContact OG-N 2.85Å; S55-S98 WeakPolarHBondContact CB-OG 3.24Å; S55-S98 PolarHBondContact N-OG 3.46Å; S55-S98 PolarHBondContact OG-OG 2.94Å
56	G	98.4	Very high	98.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	80.4	-5.6	-173.3	0	0	0	0	0	114.4	S53 P54 A73 Y74 H309	S53-G56 PolarHBondContact O-N 2.6Å; S53-G56 PolarHBondContact OG-N 3.05Å; P54-G56 PolarHBondContact O-N 3.32Å; G56-A73 WeakPolarHBondContact O-CB 3.34Å; G56-Y74 WeakPolarHBondContact O-CE2 3.4Å; G56-Y74 PolarHBondContact O-OH 3.09Å; G56-H309 VanDerWaalsContact CA-NE2 3.3Å; G56-H309 WeakPolarHBondContact CA-NE2 3.21Å; G56-H309 PolarHBondContact O-NE2 3.08Å
57	E	98.6	Very high	98.8	Very high	109 Å²	109	26.9 Å²	26.9	51%	0.509	14%	0.142	S	C	.	.	S	Bend	trans	-74.8	-30.8	-175.7	-64.4	-176	145.2	0	0	113.5	S53 S55 A73	S53-E57 PolarHBondContact OG-N 2.82Å; S55-E57 VanDerWaalsContact C-N 3.25Å; S55-E57 PolarHBondContact O-N 3.48Å; S55-E57 PolarHBondContact OG-N 2.85Å; E57-A73 WeakPolarHBondContact O-CB 3.47Å; E57-A73 PolarHBondContact O-N 2.95Å
58	W	98.9	Very high	98.8	Very high	73 Å²	73	26.9 Å²	26.9	28%	0.277	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.7	-166.8	-54.7	106.2	0	0	0	112.5	F52 S53 I70 W71 E79 W94	F52-W58 CarbonylContact C-O 3.58Å; F52-W58 VanDerWaalsContact CA-O 3.31Å; F52-W58 WeakPolarHBondContact CA-O 3.19Å; S53-W58 PolarHBondContact N-O 2.89Å; S53-W58 PolarHBondContact OG-N 3.47Å; S53-W58 VanDerWaalsContact OG-N 3.1Å; W58-I70 HydrophobicContact CB-CG2 4.15Å; W58-I70 HydrophobicContact CD2-CG2 4.17Å; W58-I70 HydrophobicContact CE3-CG2 3.83Å; W58-I70 HydrophobicContact CG-CG2 4.31Å; W58-W71 CarbonylContact C-O 3.51Å; W58-W71 WeakPolarHBondContact CA-O 3.47Å; W58-E79 HydrophobicContact CE3-CB 4.4Å; W58-E79 HydrophobicContact CE3-CG 4.37Å; W58-E79 HydrophobicContact CH2-CG 3.98Å; W58-E79 HydrophobicContact CZ3-CB 3.83Å; W58-E79 HydrophobicContact CZ3-CG 3.66Å; W58-W94 HydrophobicContact CB-CH2 3.74Å; W58-W94 HydrophobicContact CB-CZ2 3.81Å; W58-W94 HydrophobicContact CG-CH2 4.3Å
59	L	98.9	Very high	98.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.5	163.6	-178.1	67.9	0	0	0	108	L40 V50 F52 I70 W71 A316 I326 L328	L40-L59 HydrophobicContact CD2-CD2 4.28Å; V50-L59 HydrophobicContact CB-CD1 4.12Å; F52-L59 HydrophobicContact CD1-CB 4.25Å; F52-L59 HydrophobicContact CD1-CD1 3.93Å; F52-L59 HydrophobicContact CD2-CD1 4.31Å; F52-L59 HydrophobicContact CE1-CB 4.24Å; F52-L59 HydrophobicContact CE1-CD1 3.96Å; F52-L59 HydrophobicContact CE2-CD1 4.35Å; F52-L59 HydrophobicContact CG-CD1 4.12Å; F52-L59 HydrophobicContact CZ-CD1 4.18Å; L59-I70 CarbonylContact O-C 3.58Å; L59-I70 WeakPolarHBondContact O-CA 3.39Å; L59-W71 HydrophobicContact CB-CB 4.32Å; L59-W71 PolarHBondContact N-O 3.11Å; L59-W71 PolarHBondContact O-N 2.76Å; L59-A316 HydrophobicContact CD1-CB 3.77Å; L59-A316 HydrophobicContact CD2-CB 3.82Å; L59-A316 HydrophobicContact CG-CB 4.49Å; L59-I326 HydrophobicContact CD2-CG2 3.85Å; L59-L328 HydrophobicContact CD2-CD2 3.99Å
60	A	98.9	Very high	98.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.8	166.9	0	0	0	0	0	109.8	V50 K51 K69 I70 V92 W94 L101	V50-A60 CarbonylContact C-O 3.59Å; V50-A60 VanDerWaalsContact CA-O 3.3Å; V50-A60 WeakPolarHBondContact CA-O 3.5Å; K51-A60 PolarHBondContact N-O 2.92Å; K51-A60 PolarHBondContact O-N 3.48Å; A60-K69 CarbonylContact C-O 3.58Å; A60-K69 WeakPolarHBondContact CA-O 3.34Å; A60-I70 HydrophobicContact CB-CD1 3.82Å; A60-V92 HydrophobicContact CB-CG1 4.44Å; A60-V92 HydrophobicContact CB-CG2 4.37Å; A60-W94 HydrophobicContact CB-CZ2 3.6Å; A60-L101 HydrophobicContact CB-CD1 3.98Å; A60-L101 HydrophobicContact CB-CD2 4.09Å
61	S	98.9	Very high	98.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.7	171.6	62.4	0	0	0	0	111.5	H43 S49 I68 K69 W71 I326	H43-S61 PolarHBondContact NE2-OG 3Å; S49-S61 CarbonylContact O-C 3.55Å; S49-S61 VanDerWaalsContact O-CA 3.26Å; S49-S61 WeakPolarHBondContact O-CA 3.5Å; S61-I68 CarbonylContact O-C 3.53Å; S61-I68 WeakPolarHBondContact O-CA 3.37Å; S61-I68 WeakPolarHBondContact O-CG2 3.46Å; S61-K69 PolarHBondContact N-O 2.92Å; S61-K69 PolarHBondContact O-N 3.1Å; S61-K69 PolarHBondContact OG-O 3.13Å; S61-W71 PolarHBondContact OG-NE1 2.75Å; S61-I326 WeakPolarHBondContact OG-CD1 3.39Å
62	S	98.9	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	157	171.6	58.6	0	0	0	0	111.4	V47 S48 S49 I89	V47-S62 VanDerWaalsContact CG1-O 3.28Å; V47-S62 WeakPolarHBondContact CG1-O 3.35Å; S48-S62 PolarHBondContact N-O 3.3Å; S48-S62 VanDerWaalsContact OG-C 3.25Å; S48-S62 PolarHBondContact OG-O 2.86Å; S48-S62 VanDerWaalsContact OG-O 3.08Å; S48-S62 PolarHBondContact OG-OG 3.49Å; S49-S62 VanDerWaalsContact CB-OG 3.32Å; S49-S62 WeakPolarHBondContact CB-OG 3.47Å; S49-S62 PolarHBondContact N-OG 3.44Å; S49-S62 PolarHBondContact O-N 2.92Å; S62-I89 VanDerWaalsContact CB-CG2 3.44Å
63	S	98.9	Very high	98.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	160.1	-177.8	170	0	0	0	0	113.2	H43 K45 A46 D65 K66 L67 I89	H43-S63 VanDerWaalsContact CE1-CB 3.46Å; H43-S63 WeakPolarHBondContact CE1-CB 3.26Å; H43-S63 WeakPolarHBondContact ND1-CB 3.31Å; K45-S63 PolarHBondContact O-OG 3.29Å; K45-S63 VanDerWaalsContact O-OG 3.11Å; A46-S63 VanDerWaalsContact O-CA 3.32Å; A46-S63 WeakPolarHBondContact O-CA 3.38Å; A46-S63 WeakPolarHBondContact O-CB 3.19Å; A46-S63 PolarHBondContact O-OG 2.81Å; S63-D65 VanDerWaalsContact CB-OD1 3.24Å; S63-D65 WeakPolarHBondContact CB-OD1 3.32Å; S63-D65 PolarHBondContact O-N 2.86Å; S63-D65 VanDerWaalsContact O-N 3.14Å; S63-D65 VanDerWaalsContact OG-CG 3.23Å; S63-D65 PolarHBondContact OG-N 2.81Å; S63-D65 VanDerWaalsContact OG-N 3.08Å; S63-D65 PolarHBondContact OG-OD1 2.62Å; S63-K66 PolarHBondContact O-N 2.82Å; S63-K66 VanDerWaalsContact O-N 3.12Å; S63-L67 PolarHBondContact N-O 3.27Å; S63-I89 PolarHBondContact O-N 2.87Å; S63-I89 VanDerWaalsContact O-N 3.09Å
64	A	98.9	Very high	98.8	Very high	41 Å²	41	30.8 Å²	30.8	34%	0.339	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.7	167.1	0	0	0	0	0	113.4	K45 A46 K66	K45-A64 HydrophobicContact CB-CB 4Å; K45-A64 HydrophobicContact CD-CB 4.3Å; A46-A64 HydrophobicContact CB-CB 4.46Å; A46-A64 PolarHBondContact O-N 3.03Å; A64-K66 PolarHBondContact O-N 3.4Å
65	D	98.8	Very high	98.8	Very high	11 Å²	11	30.8 Å²	30.8	6%	0.059	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	1.2	171.7	71.5	11.2	0	0	0	114.2	H43 T44 K45 S63 L67	H43-D65 WeakPolarHBondContact CA-OD2 3.35Å; H43-D65 IonicContact CE1-OD1 3.48Å; H43-D65 IonicContact CE1-OD2 2.88Å; H43-D65 IonicContact CG-OD2 3.74Å; H43-D65 IonicContact ND1-OD1 3.95Å; H43-D65 PolarHBondContact ND1-OD1 2.93Å; H43-D65 IonicContact ND1-OD2 2.69Å; H43-D65 PolarHBondContact ND1-OD2 3.1Å; T44-D65 PolarHBondContact N-OD2 2.76Å; T44-D65 VanDerWaalsContact N-OD2 3.1Å; T44-D65 WeakPolarHBondContact OG1-CB 3.39Å; K45-D65 HydrophobicContact CB-CB 4.05Å; K45-D65 HydrophobicContact CG-CB 4.21Å; S63-D65 VanDerWaalsContact CB-OD1 3.24Å; S63-D65 WeakPolarHBondContact CB-OD1 3.32Å; S63-D65 PolarHBondContact O-N 2.86Å; S63-D65 VanDerWaalsContact O-N 3.14Å; S63-D65 VanDerWaalsContact OG-CG 3.23Å; S63-D65 PolarHBondContact OG-N 2.81Å; S63-D65 VanDerWaalsContact OG-N 3.08Å; S63-D65 PolarHBondContact OG-OD1 2.62Å; D65-L67 VanDerWaalsContact C-N 3.3Å; D65-L67 WeakPolarHBondContact OD1-CA 3.38Å; D65-L67 WeakPolarHBondContact OD1-CB 3.4Å; D65-L67 WeakPolarHBondContact OD1-CG 3.19Å; D65-L67 PolarHBondContact OD1-N 3.35Å
66	K	98.9	Very high	98.8	Very high	99 Å²	99	28.8 Å²	28.8	43%	0.43	14%	0.141	S	C	.	.	S	Bend	trans	77	9.8	177.9	-39.7	169.2	-77.3	-174.1	0	114	S63 A64 K86 L87 I89	S63-K66 PolarHBondContact O-N 2.82Å; S63-K66 VanDerWaalsContact O-N 3.12Å; A64-K66 PolarHBondContact O-N 3.4Å; K66-K86 VanDerWaalsContact CD-O 3.26Å; K66-K86 WeakPolarHBondContact CD-O 3.3Å; K66-L87 WeakPolarHBondContact CB-O 3.39Å; K66-L87 VanDerWaalsContact CG-C 3.49Å; K66-L87 WeakPolarHBondContact CG-O 3.43Å; K66-I89 WeakPolarHBondContact O-CD1 3.44Å
67	L	98.9	Very high	98.8	Very high	43 Å²	43	35.6 Å²	35.6	23%	0.225	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	151.3	-175.3	-53	176.1	0	0	0	111.6	S63 D65 T81	S63-L67 PolarHBondContact N-O 3.27Å; D65-L67 VanDerWaalsContact C-N 3.3Å; D65-L67 WeakPolarHBondContact OD1-CA 3.38Å; D65-L67 WeakPolarHBondContact OD1-CB 3.4Å; D65-L67 WeakPolarHBondContact OD1-CG 3.19Å; D65-L67 PolarHBondContact OD1-N 3.35Å; L67-T81 HydrophobicContact CB-CG2 4.1Å; L67-T81 HydrophobicContact CD1-CG2 4.02Å; L67-T81 HydrophobicContact CD2-CG2 4.01Å; L67-T81 HydrophobicContact CG-CG2 4.27Å
68	I	98.9	Very high	98.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136.8	160.4	-58.8	166.4	0	0	0	107.2	S61 I70 T81 I82 I89 V92 L101	S61-I68 CarbonylContact O-C 3.53Å; S61-I68 WeakPolarHBondContact O-CA 3.37Å; S61-I68 WeakPolarHBondContact O-CG2 3.46Å; I68-I70 HydrophobicContact CG2-CD1 4.16Å; I68-T81 CarbonylContact O-C 3.55Å; I68-T81 WeakPolarHBondContact O-CA 3.47Å; I68-I82 HydrophobicContact CB-CB 4.18Å; I68-I82 PolarHBondContact N-O 3.08Å; I68-I82 PolarHBondContact O-N 2.86Å; I68-I89 HydrophobicContact CD1-CD1 4.36Å; I68-I89 HydrophobicContact CG1-CD1 3.73Å; I68-V92 HydrophobicContact CD1-CG2 4.31Å; I68-V92 HydrophobicContact CG2-CG2 4.44Å; I68-L101 HydrophobicContact CG2-CD1 4.02Å
69	K	98.9	Very high	98.8	Very high	21 Å²	21	36.6 Å²	36.6	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.3	172	-68.4	177.8	-179.7	-77.1	0	110.3	G42 A60 S61 W71 F78 K80 T81	G42-K69 WeakPolarHBondContact O-CE 3.44Å; A60-K69 CarbonylContact C-O 3.58Å; A60-K69 WeakPolarHBondContact CA-O 3.34Å; S61-K69 PolarHBondContact N-O 2.92Å; S61-K69 PolarHBondContact O-N 3.1Å; S61-K69 PolarHBondContact OG-O 3.13Å; K69-W71 HydrophobicContact CB-CZ2 3.63Å; K69-W71 HydrophobicContact CD-CH2 4.05Å; K69-W71 HydrophobicContact CD-CZ2 3.56Å; K69-W71 HydrophobicContact CG-CZ2 4.23Å; K69-W71 PolarHBondContact O-NE1 3.42Å; K69-F78 HydrophobicContact CB-CE2 4.42Å; K69-F78 HydrophobicContact CD-CE2 4.37Å; K69-F78 HydrophobicContact CG-CE2 4.24Å; K69-K80 WeakPolarHBondContact CA-O 3.26Å; K69-T81 PolarHBondContact NZ-OG1 3.32Å
70	I	98.9	Very high	98.8	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.4	176.7	-50.2	-58.7	0	0	0	108.3	W58 L59 A60 I68 E79 K80 I82 W94 L101	W58-I70 HydrophobicContact CB-CG2 4.15Å; W58-I70 HydrophobicContact CD2-CG2 4.17Å; W58-I70 HydrophobicContact CE3-CG2 3.83Å; W58-I70 HydrophobicContact CG-CG2 4.31Å; L59-I70 CarbonylContact O-C 3.58Å; L59-I70 WeakPolarHBondContact O-CA 3.39Å; A60-I70 HydrophobicContact CB-CD1 3.82Å; I68-I70 HydrophobicContact CG2-CD1 4.16Å; I70-E79 HydrophobicContact CB-CB 4.27Å; I70-E79 HydrophobicContact CG2-CB 4.2Å; I70-E79 HydrophobicContact CG2-CG 4.4Å; I70-E79 WeakPolarHBondContact O-CB 3.32Å; I70-E79 PolarHBondContact O-N 3.08Å; I70-K80 HydrophobicContact CB-CG 4.04Å; I70-K80 HydrophobicContact CG1-CG 3.91Å; I70-K80 PolarHBondContact N-O 3.39Å; I70-K80 PolarHBondContact O-N 3.39Å; I70-I82 HydrophobicContact CD1-CD1 4.34Å; I70-I82 HydrophobicContact CG1-CD1 4.22Å; I70-W94 HydrophobicContact CD1-CH2 4.28Å; I70-W94 HydrophobicContact CD1-CZ2 4.27Å; I70-L101 HydrophobicContact CD1-CD1 3.63Å
71	W	98.9	Very high	98.8	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.9	-176.9	-39.9	83	0	0	0	109.9	L40 A41 W58 L59 S61 K69 A73 K77 F78 I326	L40-W71 HydrophobicContact CB-CD2 4.37Å; L40-W71 HydrophobicContact CB-CE3 4Å; L40-W71 HydrophobicContact CB-CH2 4.29Å; L40-W71 HydrophobicContact CB-CZ3 3.96Å; L40-W71 HydrophobicContact CD2-CB 3.7Å; L40-W71 HydrophobicContact CD2-CD2 3.61Å; L40-W71 HydrophobicContact CD2-CE3 3.73Å; L40-W71 HydrophobicContact CD2-CG 3.59Å; L40-W71 HydrophobicContact CG-CD2 4.31Å; L40-W71 HydrophobicContact CG-CE3 3.94Å; L40-W71 HydrophobicContact CG-CZ3 4.35Å; A41-W71 WeakPolarHBondContact O-CH2 3.45Å; W58-W71 CarbonylContact C-O 3.51Å; W58-W71 WeakPolarHBondContact CA-O 3.47Å; L59-W71 HydrophobicContact CB-CB 4.32Å; L59-W71 PolarHBondContact N-O 3.11Å; L59-W71 PolarHBondContact O-N 2.76Å; S61-W71 PolarHBondContact OG-NE1 2.75Å; K69-W71 HydrophobicContact CB-CZ2 3.63Å; K69-W71 HydrophobicContact CD-CH2 4.05Å; K69-W71 HydrophobicContact CD-CZ2 3.56Å; K69-W71 HydrophobicContact CG-CZ2 4.23Å; K69-W71 PolarHBondContact O-NE1 3.42Å; W71-A73 PolarHBondContact O-N 2.99Å; W71-K77 CarbonylContact C-O 3.53Å; W71-K77 WeakPolarHBondContact CA-O 3.48Å; W71-F78 HydrophobicContact CE3-CB 3.78Å; W71-F78 HydrophobicContact CE3-CD2 4.15Å; W71-F78 HydrophobicContact CE3-CG 4.49Å; W71-F78 HydrophobicContact CH2-CD2 4.19Å; W71-F78 HydrophobicContact CZ3-CB 3.73Å; W71-F78 AromaticContact CZ3-CD2 3.96Å; W71-F78 HydrophobicContact CZ3-CD2 3.96Å; W71-F78 HydrophobicContact CZ3-CG 4.3Å; W71-I326 HydrophobicContact CZ2-CD1 4.26Å
72	G	98.8	Very high	98.8	Very high	9 Å²	9	41.9 Å²	41.9	9%	0.093	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	127.5	168.9	0	0	0	0	0	110.5	Y74 G76 K77	G72-Y74 VanDerWaalsContact C-N 3.31Å; G72-Y74 PolarHBondContact O-N 3.28Å; G72-G76 VanDerWaalsContact O-CA 3.28Å; G72-G76 WeakPolarHBondContact O-CA 3.44Å; G72-G76 PolarHBondContact O-N 3.14Å; G72-K77 PolarHBondContact N-O 3.08Å
73	A	98.7	Very high	98.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.7	-175	0	0	0	0	0	113.6	F52 G56 E57 W71	F52-A73 HydrophobicContact CD1-CB 3.83Å; F52-A73 HydrophobicContact CE1-CB 3.76Å; G56-A73 WeakPolarHBondContact O-CB 3.34Å; E57-A73 WeakPolarHBondContact O-CB 3.47Å; E57-A73 PolarHBondContact O-N 2.95Å; W71-A73 PolarHBondContact O-N 2.99Å
74	Y	98.6	Very high	98.7	Very high	118 Å²	118	47.6 Å²	47.6	46%	0.463	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-27.5	-173.2	-57.2	-70.6	0	0	0	114	F38 G56 G72 H309 E312 I314	F38-Y74 VanDerWaalsContact CE2-O 3.27Å; F38-Y74 WeakPolarHBondContact CE2-O 3.48Å; G56-Y74 WeakPolarHBondContact O-CE2 3.4Å; G56-Y74 PolarHBondContact O-OH 3.09Å; G72-Y74 VanDerWaalsContact C-N 3.31Å; G72-Y74 PolarHBondContact O-N 3.28Å; Y74-H309 AromaticContact CE1-CE1 3.9Å; Y74-H309 AromaticContact CE1-NE2 3.73Å; Y74-H309 AromaticContact CZ-CE1 3.96Å; Y74-H309 AromaticContact CZ-NE2 3.74Å; Y74-H309 PolarHBondContact OH-CE1 2.99Å; Y74-E312 HydrophobicContact CE1-CG 3.97Å; Y74-I314 HydrophobicContact CD1-CD1 4.07Å; Y74-I314 HydrophobicContact CE1-CD1 4.45Å
75	D	98.1	Very high	98.7	Very high	61 Å²	61	46.2 Å²	46.2	33%	0.326	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-4.7	-174.5	67.5	-0.8	0	0	0	113.7	F38 K77	F38-D75 WeakPolarHBondContact CD1-O 3.46Å; F38-D75 WeakPolarHBondContact CE1-O 3.23Å; D75-K77 HydrophobicContact CB-CG 4.37Å; D75-K77 PolarHBondContact O-N 2.87Å; D75-K77 WeakPolarHBondContact OD1-CB 3.42Å; D75-K77 PolarHBondContact OD1-N 3.22Å; D75-K77 WeakPolarHBondContact OD2-CD 3.47Å; D75-K77 WeakPolarHBondContact OD2-CE 3.19Å; D75-K77 WeakPolarHBondContact OD2-CG 3.46Å; D75-K77 IonicContact OD2-NZ 3.95Å; D75-K77 PolarHBondContact OD2-NZ 3.12Å
76	G	98.3	Very high	98.7	Very high	11 Å²	11	54 Å²	54	11%	0.113	27%	0.271	C	S	.	.			trans	66.3	12.4	-179.3	0	0	0	0	0	114.2	L40 G72	L40-G76 WeakPolarHBondContact CG-O 3.34Å; G72-G76 VanDerWaalsContact O-CA 3.28Å; G72-G76 WeakPolarHBondContact O-CA 3.44Å; G72-G76 PolarHBondContact O-N 3.14Å
77	K	98.6	Very high	98.7	Very high	142 Å²	142	53.4 Å²	53.4	62%	0.617	27%	0.273	S	S	*	.			trans	-68.7	136	-178.5	-74.1	-175.5	-165.8	157.3	0	110.9	W71 G72 D75 E79	W71-K77 CarbonylContact C-O 3.53Å; W71-K77 WeakPolarHBondContact CA-O 3.48Å; G72-K77 PolarHBondContact N-O 3.08Å; D75-K77 HydrophobicContact CB-CG 4.37Å; D75-K77 PolarHBondContact O-N 2.87Å; D75-K77 WeakPolarHBondContact OD1-CB 3.42Å; D75-K77 PolarHBondContact OD1-N 3.22Å; D75-K77 WeakPolarHBondContact OD2-CD 3.47Å; D75-K77 WeakPolarHBondContact OD2-CE 3.19Å; D75-K77 WeakPolarHBondContact OD2-CG 3.46Å; D75-K77 IonicContact OD2-NZ 3.95Å; D75-K77 PolarHBondContact OD2-NZ 3.12Å; K77-E79 PolarHBondContact O-N 3.15Å
78	F	98.8	Very high	98.7	Very high	107 Å²	107	51.7 Å²	51.7	47%	0.469	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	129.7	171	170.9	-101.3	0	0	0	110.4	K69 W71 K80 T81	K69-F78 HydrophobicContact CB-CE2 4.42Å; K69-F78 HydrophobicContact CD-CE2 4.37Å; K69-F78 HydrophobicContact CG-CE2 4.24Å; W71-F78 HydrophobicContact CE3-CB 3.78Å; W71-F78 HydrophobicContact CE3-CD2 4.15Å; W71-F78 HydrophobicContact CE3-CG 4.49Å; W71-F78 HydrophobicContact CH2-CD2 4.19Å; W71-F78 HydrophobicContact CZ3-CB 3.73Å; W71-F78 AromaticContact CZ3-CD2 3.96Å; W71-F78 HydrophobicContact CZ3-CD2 3.96Å; W71-F78 HydrophobicContact CZ3-CG 4.3Å; F78-K80 VanDerWaalsContact CE2-C 3.46Å; F78-K80 WeakPolarHBondContact CE2-O 3.4Å; F78-K80 VanDerWaalsContact CZ-C 3.43Å; F78-T81 WeakPolarHBondContact CE2-OG1 3.5Å; F78-T81 WeakPolarHBondContact CZ-OG1 3.17Å
79	E	98.6	Very high	98.7	Very high	96 Å²	96	51.9 Å²	51.9	45%	0.449	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-59.1	-179.9	178.1	61.4	-155.7	0	0	111.1	W58 I70 K77	W58-E79 HydrophobicContact CE3-CB 4.4Å; W58-E79 HydrophobicContact CE3-CG 4.37Å; W58-E79 HydrophobicContact CH2-CG 3.98Å; W58-E79 HydrophobicContact CZ3-CB 3.83Å; W58-E79 HydrophobicContact CZ3-CG 3.66Å; I70-E79 HydrophobicContact CB-CB 4.27Å; I70-E79 HydrophobicContact CG2-CB 4.2Å; I70-E79 HydrophobicContact CG2-CG 4.4Å; I70-E79 WeakPolarHBondContact O-CB 3.32Å; I70-E79 PolarHBondContact O-N 3.08Å; K77-E79 PolarHBondContact O-N 3.15Å
80	K	98.6	Very high	98.7	Very high	52 Å²	52	52 Å²	52	23%	0.226	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	164.2	-178.6	66.1	-174.6	67.4	167.5	0	113.2	K69 I70 F78 V115 N116	K69-K80 WeakPolarHBondContact CA-O 3.26Å; I70-K80 HydrophobicContact CB-CG 4.04Å; I70-K80 HydrophobicContact CG1-CG 3.91Å; I70-K80 PolarHBondContact N-O 3.39Å; I70-K80 PolarHBondContact O-N 3.39Å; F78-K80 VanDerWaalsContact CE2-C 3.46Å; F78-K80 WeakPolarHBondContact CE2-O 3.4Å; F78-K80 VanDerWaalsContact CZ-C 3.43Å; K80-V115 PolarHBondContact NZ-O 3.48Å; K80-V115 VanDerWaalsContact NZ-O 3.12Å; K80-N116 PolarHBondContact NZ-O 3.36Å
81	T	98.9	Very high	98.7	Very high	57 Å²	57	52.1 Å²	52.1	35%	0.35	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.9	170.2	-64	0	0	0	0	109.3	L67 I68 K69 F78	L67-T81 HydrophobicContact CB-CG2 4.1Å; L67-T81 HydrophobicContact CD1-CG2 4.02Å; L67-T81 HydrophobicContact CD2-CG2 4.01Å; L67-T81 HydrophobicContact CG-CG2 4.27Å; I68-T81 CarbonylContact O-C 3.55Å; I68-T81 WeakPolarHBondContact O-CA 3.47Å; K69-T81 PolarHBondContact NZ-OG1 3.32Å; F78-T81 WeakPolarHBondContact CE2-OG1 3.5Å; F78-T81 WeakPolarHBondContact CZ-OG1 3.17Å
82	I	98.9	Very high	98.7	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.2	172.6	-57.5	174.2	0	0	0	107.5	I68 I70 L101 W113	I68-I82 HydrophobicContact CB-CB 4.18Å; I68-I82 PolarHBondContact N-O 3.08Å; I68-I82 PolarHBondContact O-N 2.86Å; I70-I82 HydrophobicContact CD1-CD1 4.34Å; I70-I82 HydrophobicContact CG1-CD1 4.22Å; I82-L101 HydrophobicContact CD1-CD1 4.35Å; I82-W113 HydrophobicContact CG2-CB 4.45Å; I82-W113 HydrophobicContact CG2-CD2 3.57Å; I82-W113 HydrophobicContact CG2-CE3 3.25Å; I82-W113 HydrophobicContact CG2-CG 4.09Å; I82-W113 HydrophobicContact CG2-CH2 4.25Å; I82-W113 HydrophobicContact CG2-CZ3 3.62Å
83	S	98.7	Very high	98.7	Very high	77 Å²	77	51.5 Å²	51.5	54%	0.538	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152.1	-173.4	64.1	0	0	0	0	111.7	W113	S83-W113 WeakPolarHBondContact O-CZ3 3.33Å
84	G	98.8	Very high	98.8	Very high	43 Å²	43	52.3 Å²	52.3	44%	0.443	27%	0.269	S	S	.	.			trans	151.8	-8.6	172.8	0	0	0	0	0	115	K111	G84-K111 VanDerWaalsContact O-CE 3.31Å; G84-K111 WeakPolarHBondContact O-CE 3.24Å
85	H	98.9	Very high	98.8	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.056	25%	0.247	C	C	.	.			trans	-68	150.1	163.8	-85.1	-66.6	0	0	0	111.2	I89 S103 S105 D107 W113	H85-I89 HydrophobicContact CB-CD1 4.24Å; H85-I89 HydrophobicContact CB-CG1 4.11Å; H85-S103 PolarHBondContact CD2-OG 2.8Å; H85-S103 VanDerWaalsContact CD2-OG 3.29Å; H85-S103 PolarHBondContact NE2-OG 3.37Å; H85-S105 WeakPolarHBondContact CE1-CB 3.33Å; H85-S105 WeakPolarHBondContact ND1-CB 3.16Å; H85-D107 WeakPolarHBondContact CA-OD2 3.46Å; H85-D107 IonicContact CE1-OD1 3.84Å; H85-D107 IonicContact CE1-OD2 3.98Å; H85-D107 IonicContact CG-OD2 3.63Å; H85-D107 IonicContact ND1-OD1 3.35Å; H85-D107 PolarHBondContact ND1-OD1 3.47Å; H85-D107 IonicContact ND1-OD2 2.87Å; H85-D107 PolarHBondContact ND1-OD2 2.78Å; H85-W113 AromaticContact CD2-CZ2 3.78Å
86	K	98.8	Very high	98.8	Very high	173 Å²	173	46.8 Å²	46.8	75%	0.752	25%	0.252	S	S	*	.	S	Bend	trans	-91.4	-25.4	-177.6	-63.4	-175.9	-180	-175.9	0	112.9	K66 D107	K66-K86 VanDerWaalsContact CD-O 3.26Å; K66-K86 WeakPolarHBondContact CD-O 3.3Å; K86-D107 HydrophobicContact CB-CB 4.01Å; K86-D107 PolarHBondContact N-OD2 3.31Å
87	L	98.9	Very high	98.8	Very high	87 Å²	87	50.4 Å²	50.4	46%	0.455	27%	0.269	S	S	.	.	S	Bend	trans	-132.7	-178.9	179.7	-62.1	177.9	0	0	0	110.3	K66 S105 D106 D107	K66-L87 WeakPolarHBondContact CB-O 3.39Å; K66-L87 VanDerWaalsContact CG-C 3.49Å; K66-L87 WeakPolarHBondContact CG-O 3.43Å; L87-S105 PolarHBondContact O-OG 2.89Å; L87-D106 HydrophobicContact CB-CB 3.83Å; L87-D106 HydrophobicContact CD1-CB 4.28Å; L87-D107 HydrophobicContact CB-CB 4.1Å; L87-D107 HydrophobicContact CD1-CB 4.41Å; L87-D107 HydrophobicContact CG-CB 4.22Å
88	G	98.8	Very high	98.8	Very high	8 Å²	8	44.2 Å²	44.2	8%	0.082	24%	0.244	C	C	.	.			trans	-54.1	151.3	-175.8	0	0	0	0	0	112.3	S105 D106	G88-S105 VanDerWaalsContact O-CA 3.26Å; G88-S105 WeakPolarHBondContact O-CA 3.29Å; G88-S105 WeakPolarHBondContact O-CB 3.31Å; G88-S105 PolarHBondContact O-OG 2.85Å; G88-D106 PolarHBondContact O-N 2.98Å
89	I	98.9	Very high	98.8	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.5	176.8	-57.1	174.6	0	0	0	106.9	S48 S62 S63 K66 I68 H85 D91 A104	S48-I89 VanDerWaalsContact CB-O 3.24Å; S48-I89 WeakPolarHBondContact CB-O 3.25Å; S48-I89 PolarHBondContact OG-O 3.12Å; S62-I89 VanDerWaalsContact CB-CG2 3.44Å; S63-I89 PolarHBondContact O-N 2.87Å; S63-I89 VanDerWaalsContact O-N 3.09Å; K66-I89 WeakPolarHBondContact O-CD1 3.44Å; I68-I89 HydrophobicContact CD1-CD1 4.36Å; I68-I89 HydrophobicContact CG1-CD1 3.73Å; H85-I89 HydrophobicContact CB-CD1 4.24Å; H85-I89 HydrophobicContact CB-CG1 4.11Å; I89-D91 VanDerWaalsContact CG2-O 3.3Å; I89-D91 WeakPolarHBondContact CG2-O 3.09Å; I89-A104 CarbonylContact C-O 3.58Å; I89-A104 WeakPolarHBondContact CA-O 3.39Å; I89-A104 VanDerWaalsContact CG2-O 3.29Å; I89-A104 WeakPolarHBondContact CG2-O 3.31Å
90	S	98.9	Very high	98.8	Very high	23 Å²	23	40.3 Å²	40.3	16%	0.161	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-30.7	-179.4	-72.2	0	0	0	0	112.2	S48 A104 D106 F132	S48-S90 WeakPolarHBondContact CB-O 3.43Å; S48-S90 PolarHBondContact OG-O 3.21Å; S90-A104 PolarHBondContact N-O 3.03Å; S90-D106 PolarHBondContact OG-OD1 3.03Å; S90-F132 WeakPolarHBondContact CB-O 3.38Å
91	D	98.9	Very high	98.8	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.027	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	159.2	-179.8	-163	21.5	0	0	0	113.1	S49 K51 I89 S103 A104 F132 C134 F262	S49-D91 WeakPolarHBondContact CB-OD1 3.26Å; S49-D91 PolarHBondContact OG-OD1 3.2Å; K51-D91 IonicContact NZ-OD1 2.56Å; K51-D91 PolarHBondContact NZ-OD1 3.4Å; K51-D91 IonicContact NZ-OD2 3.4Å; I89-D91 VanDerWaalsContact CG2-O 3.3Å; I89-D91 WeakPolarHBondContact CG2-O 3.09Å; D91-S103 CarbonylContact O-C 3.54Å; D91-S103 VanDerWaalsContact O-CA 3.31Å; D91-S103 WeakPolarHBondContact O-CA 3.45Å; D91-A104 HydrophobicContact CB-CB 4.36Å; D91-A104 PolarHBondContact O-N 3Å; D91-F132 WeakPolarHBondContact CB-O 3.36Å; D91-C134 PolarHBondContact OD2-N 3.08Å; D91-C134 VanDerWaalsContact OD2-N 3.12Å; D91-F262 WeakPolarHBondContact OD1-CZ 3.4Å
92	V	98.9	Very high	98.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.2	176	65.5	0	0	0	0	109.6	K51 A60 I68 L101 V102	K51-V92 HydrophobicContact CG-CG1 4.34Å; K51-V92 WeakPolarHBondContact CG-O 3.24Å; K51-V92 PolarHBondContact NZ-O 2.96Å; A60-V92 HydrophobicContact CB-CG1 4.44Å; A60-V92 HydrophobicContact CB-CG2 4.37Å; I68-V92 HydrophobicContact CD1-CG2 4.31Å; I68-V92 HydrophobicContact CG2-CG2 4.44Å; V92-L101 HydrophobicContact CG2-CB 4.46Å; V92-L101 HydrophobicContact CG2-CD1 4.26Å; V92-L101 HydrophobicContact CG2-CD2 3.77Å; V92-L101 HydrophobicContact CG2-CG 4.4Å; V92-V102 CarbonylContact C-O 3.39Å; V92-V102 VanDerWaalsContact CA-O 3.26Å; V92-V102 WeakPolarHBondContact CA-O 3.43Å
93	A	98.9	Very high	98.8	Very high	3 Å²	3	35 Å²	35	3%	0.025	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.5	176.4	0	0	0	0	0	112.2	L101 V102	A93-L101 CarbonylContact O-C 3.59Å; A93-L101 WeakPolarHBondContact O-CA 3.34Å; A93-L101 VanDerWaalsContact O-CD2 3.29Å; A93-L101 WeakPolarHBondContact O-CD2 3.46Å; A93-V102 HydrophobicContact CB-CG1 3.85Å; A93-V102 PolarHBondContact N-O 2.82Å; A93-V102 PolarHBondContact O-N 2.95Å
94	W	98.9	Very high	98.8	Very high	17 Å²	17	31.3 Å²	31.3	6%	0.064	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	147.3	179	-68.8	93.2	0	0	0	112.2	K51 F52 P54 W58 A60 I70 S98 L100 L101 V115 F136	K51-W94 PolarHBondContact O-NE1 2.8Å; F52-W94 VanDerWaalsContact O-CD1 3.26Å; P54-W94 HydrophobicContact CG-CB 4.31Å; W58-W94 HydrophobicContact CB-CH2 3.74Å; W58-W94 HydrophobicContact CB-CZ2 3.81Å; W58-W94 HydrophobicContact CG-CH2 4.3Å; A60-W94 HydrophobicContact CB-CZ2 3.6Å; I70-W94 HydrophobicContact CD1-CH2 4.28Å; I70-W94 HydrophobicContact CD1-CZ2 4.27Å; W94-S98 VanDerWaalsContact CZ3-O 3.23Å; W94-S98 WeakPolarHBondContact CZ3-O 3.26Å; W94-L100 WeakPolarHBondContact CA-O 3.09Å; W94-L101 HydrophobicContact CB-CD2 4.3Å; W94-L101 HydrophobicContact CD2-CD2 3.35Å; W94-L101 HydrophobicContact CD2-CG 4.16Å; W94-L101 HydrophobicContact CE3-CD2 3.76Å; W94-L101 HydrophobicContact CE3-CG 4.08Å; W94-L101 HydrophobicContact CG-CD2 3.6Å; W94-L101 HydrophobicContact CZ2-CD1 4.49Å; W94-L101 HydrophobicContact CZ2-CD2 4.2Å; W94-L101 HydrophobicContact CZ3-CD2 4.34Å; W94-L101 HydrophobicContact CZ3-CG 4.29Å; W94-V115 HydrophobicContact CE3-CG2 4.24Å; W94-V115 HydrophobicContact CH2-CG1 3.88Å; W94-V115 HydrophobicContact CH2-CG2 4.23Å; W94-V115 HydrophobicContact CZ3-CB 4.19Å; W94-V115 HydrophobicContact CZ3-CG1 3.86Å; W94-V115 HydrophobicContact CZ3-CG2 3.62Å; W94-F136 VanDerWaalsContact C-CD2 3.41Å; W94-F136 WeakPolarHBondContact O-CD2 3.34Å
95	S	98.9	Very high	98.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.			trans	-69.1	154.6	158.5	57.9	0	0	0	0	110.7	P54 D97 S98 N99 L100 S140	P54-S95 WeakPolarHBondContact CG-O 3.32Å; S95-D97 WeakPolarHBondContact CB-OD1 3.34Å; S95-D97 PolarHBondContact O-N 2.94Å; S95-D97 PolarHBondContact OG-OD1 3.08Å; S95-S98 PolarHBondContact O-N 3.18Å; S95-N99 PolarHBondContact OG-N 2.55Å; S95-L100 PolarHBondContact N-O 2.91Å; S95-L100 WeakPolarHBondContact OG-CA 3.19Å; S95-L100 WeakPolarHBondContact OG-CB 3.15Å; S95-L100 PolarHBondContact OG-N 2.88Å; S95-L100 PolarHBondContact OG-O 3.29Å; S95-S140 WeakPolarHBondContact CA-OG 3.32Å; S95-S140 WeakPolarHBondContact CB-OG 3.39Å
96	S	98.6	Very high	98.9	Very high	63 Å²	63	30.8 Å²	30.8	44%	0.441	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.7	-179	51.1	0	0	0	0	114.5	P54 P138 S140	P54-S96 WeakPolarHBondContact CB-O 3.39Å; S96-P138 VanDerWaalsContact CB-O 3.27Å; S96-P138 WeakPolarHBondContact CB-O 3.42Å; S96-P138 PolarHBondContact OG-O 3.44Å; S96-S140 PolarHBondContact N-OG 3.41Å; S96-S140 PolarHBondContact OG-OG 3.1Å
97	D	98.6	Very high	98.9	Very high	87 Å²	87	23.9 Å²	23.9	47%	0.465	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	1.7	175	70.4	-11.7	0	0	0	113.7	S95 N99	S95-D97 WeakPolarHBondContact CB-OD1 3.34Å; S95-D97 PolarHBondContact O-N 2.94Å; S95-D97 PolarHBondContact OG-OD1 3.08Å; D97-N99 VanDerWaalsContact CG-ND2 3.25Å; D97-N99 PolarHBondContact O-N 3.2Å; D97-N99 PolarHBondContact OD1-N 3.05Å; D97-N99 VanDerWaalsContact OD1-N 3.08Å; D97-N99 PolarHBondContact OD2-ND2 2.86Å
98	S	98.8	Very high	98.9	Very high	13 Å²	13	24.2 Å²	24.2	9%	0.091	13%	0.134	C	C	.	.	S	Bend	trans	62.2	12	-177.7	-48	0	0	0	0	115.6	P54 S55 W94 S95	P54-S98 WeakPolarHBondContact CD-OG 3.47Å; S55-S98 WeakPolarHBondContact CB-OG 3.24Å; S55-S98 PolarHBondContact N-OG 3.46Å; S55-S98 PolarHBondContact OG-OG 2.94Å; W94-S98 VanDerWaalsContact CZ3-O 3.23Å; W94-S98 WeakPolarHBondContact CZ3-O 3.26Å; S95-S98 PolarHBondContact O-N 3.18Å
99	N	98.6	Very high	98.9	Very high	89 Å²	89	24.7 Å²	24.7	48%	0.476	14%	0.135	S	C	.	.	S	Bend	trans	-91.2	-26.5	-177.8	-68.2	-42.1	0	0	0	113.3	S95 D97 V115	S95-N99 PolarHBondContact OG-N 2.55Å; D97-N99 VanDerWaalsContact CG-ND2 3.25Å; D97-N99 PolarHBondContact O-N 3.2Å; D97-N99 PolarHBondContact OD1-N 3.05Å; D97-N99 VanDerWaalsContact OD1-N 3.08Å; D97-N99 PolarHBondContact OD2-ND2 2.86Å; N99-V115 WeakPolarHBondContact O-CB 3.23Å; N99-V115 WeakPolarHBondContact O-CG2 3.15Å; N99-V115 PolarHBondContact O-N 2.8Å
100	L	98.9	Very high	98.9	Very high	31 Å²	31	24.6 Å²	24.6	16%	0.162	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.7	-177.1	-54	179.2	0	0	0	111.8	W94 S95 I112 W113 L121 F136 V157	W94-L100 WeakPolarHBondContact CA-O 3.09Å; S95-L100 PolarHBondContact N-O 2.91Å; S95-L100 WeakPolarHBondContact OG-CA 3.19Å; S95-L100 WeakPolarHBondContact OG-CB 3.15Å; S95-L100 PolarHBondContact OG-N 2.88Å; S95-L100 PolarHBondContact OG-O 3.29Å; L100-I112 HydrophobicContact CD1-CG2 4.28Å; L100-W113 VanDerWaalsContact CA-O 3.23Å; L100-W113 WeakPolarHBondContact CA-O 3.42Å; L100-W113 WeakPolarHBondContact CD2-O 3.36Å; L100-L121 HydrophobicContact CD2-CD1 3.65Å; L100-F136 HydrophobicContact CB-CZ 4.07Å; L100-V157 HydrophobicContact CD1-CG1 4.16Å
101	L	98.9	Very high	98.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148.4	163.5	-77.8	174.7	0	0	0	110.2	A60 I68 I70 I82 V92 A93 W94 I112 W113 V115	A60-L101 HydrophobicContact CB-CD1 3.98Å; A60-L101 HydrophobicContact CB-CD2 4.09Å; I68-L101 HydrophobicContact CG2-CD1 4.02Å; I70-L101 HydrophobicContact CD1-CD1 3.63Å; I82-L101 HydrophobicContact CD1-CD1 4.35Å; V92-L101 HydrophobicContact CG2-CB 4.46Å; V92-L101 HydrophobicContact CG2-CD1 4.26Å; V92-L101 HydrophobicContact CG2-CD2 3.77Å; V92-L101 HydrophobicContact CG2-CG 4.4Å; A93-L101 CarbonylContact O-C 3.59Å; A93-L101 WeakPolarHBondContact O-CA 3.34Å; A93-L101 VanDerWaalsContact O-CD2 3.29Å; A93-L101 WeakPolarHBondContact O-CD2 3.46Å; W94-L101 HydrophobicContact CB-CD2 4.3Å; W94-L101 HydrophobicContact CD2-CD2 3.35Å; W94-L101 HydrophobicContact CD2-CG 4.16Å; W94-L101 HydrophobicContact CE3-CD2 3.76Å; W94-L101 HydrophobicContact CE3-CG 4.08Å; W94-L101 HydrophobicContact CG-CD2 3.6Å; W94-L101 HydrophobicContact CZ2-CD1 4.49Å; W94-L101 HydrophobicContact CZ2-CD2 4.2Å; W94-L101 HydrophobicContact CZ3-CD2 4.34Å; W94-L101 HydrophobicContact CZ3-CG 4.29Å; L101-I112 CarbonylContact O-C 3.55Å; L101-I112 WeakPolarHBondContact O-CA 3.41Å; L101-W113 HydrophobicContact CB-CB 4.26Å; L101-W113 PolarHBondContact N-O 2.83Å; L101-W113 PolarHBondContact O-N 3.27Å; L101-V115 HydrophobicContact CB-CG2 4.19Å; L101-V115 HydrophobicContact CD1-CG2 3.91Å; L101-V115 HydrophobicContact CG-CG2 3.61Å
102	V	99	Very high	98.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.9	160.3	63.1	0	0	0	0	108.7	V92 A93 L110 K111 C134 F136 I143	V92-V102 CarbonylContact C-O 3.39Å; V92-V102 VanDerWaalsContact CA-O 3.26Å; V92-V102 WeakPolarHBondContact CA-O 3.43Å; A93-V102 HydrophobicContact CB-CG1 3.85Å; A93-V102 PolarHBondContact N-O 2.82Å; A93-V102 PolarHBondContact O-N 2.95Å; V102-L110 HydrophobicContact CG2-CB 4.08Å; V102-L110 HydrophobicContact CG2-CD2 3.86Å; V102-K111 VanDerWaalsContact CA-O 3.26Å; V102-K111 WeakPolarHBondContact CA-O 3.46Å; V102-C134 HydrophobicContact CG1-CB 4.28Å; V102-C134 HydrophobicContact CG2-CB 4.47Å; V102-F136 HydrophobicContact CB-CD2 4.37Å; V102-F136 HydrophobicContact CB-CE2 3.66Å; V102-F136 HydrophobicContact CB-CZ 4.03Å; V102-F136 HydrophobicContact CG1-CD2 3.68Å; V102-F136 HydrophobicContact CG1-CE2 3.45Å; V102-F136 VanDerWaalsContact CG1-CE2 3.45Å; V102-F136 HydrophobicContact CG1-CZ 4.23Å; V102-I143 HydrophobicContact CB-CD1 3.93Å; V102-I143 HydrophobicContact CB-CG1 4.37Å; V102-I143 HydrophobicContact CG1-CD1 4.47Å; V102-I143 HydrophobicContact CG1-CG1 4.38Å; V102-I143 HydrophobicContact CG2-CD1 3.8Å; V102-I143 HydrophobicContact CG2-CG1 4.36Å; V102-I143 HydrophobicContact CG2-CG2 4.06Å
103	S	98.9	Very high	98.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.5	173.8	53.7	0	0	0	0	111.9	H85 D91 L110 K111 W113	H85-S103 PolarHBondContact CD2-OG 2.8Å; H85-S103 VanDerWaalsContact CD2-OG 3.29Å; H85-S103 PolarHBondContact NE2-OG 3.37Å; D91-S103 CarbonylContact O-C 3.54Å; D91-S103 VanDerWaalsContact O-CA 3.31Å; D91-S103 WeakPolarHBondContact O-CA 3.45Å; S103-L110 CarbonylContact O-C 3.57Å; S103-L110 WeakPolarHBondContact O-CA 3.28Å; S103-L110 VanDerWaalsContact O-CB 3.31Å; S103-L110 WeakPolarHBondContact O-CB 3.4Å; S103-K111 PolarHBondContact N-O 2.96Å; S103-K111 PolarHBondContact O-N 2.9Å; S103-K111 VanDerWaalsContact O-N 3.1Å; S103-W113 PolarHBondContact OG-NE1 3.02Å
104	A	98.9	Very high	98.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.1	179.1	0	0	0	0	0	110.4	I89 S90 D91 L110 V131 C134	I89-A104 CarbonylContact C-O 3.58Å; I89-A104 WeakPolarHBondContact CA-O 3.39Å; I89-A104 VanDerWaalsContact CG2-O 3.29Å; I89-A104 WeakPolarHBondContact CG2-O 3.31Å; S90-A104 PolarHBondContact N-O 3.03Å; D91-A104 HydrophobicContact CB-CB 4.36Å; D91-A104 PolarHBondContact O-N 3Å; A104-L110 HydrophobicContact CB-CD2 4.36Å; A104-V131 CarbonylContact C-O 3.59Å; A104-V131 HydrophobicContact CB-CB 3.97Å; A104-V131 HydrophobicContact CB-CG1 3.69Å; A104-V131 WeakPolarHBondContact CB-O 3.25Å; A104-C134 HydrophobicContact CB-CB 4.07Å
105	S	98.9	Very high	98.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154	-170.8	179.2	0	0	0	0	113.9	H85 L87 G88 D107 K108 T109 V131	H85-S105 WeakPolarHBondContact CE1-CB 3.33Å; H85-S105 WeakPolarHBondContact ND1-CB 3.16Å; L87-S105 PolarHBondContact O-OG 2.89Å; G88-S105 VanDerWaalsContact O-CA 3.26Å; G88-S105 WeakPolarHBondContact O-CA 3.29Å; G88-S105 WeakPolarHBondContact O-CB 3.31Å; G88-S105 PolarHBondContact O-OG 2.85Å; S105-D107 WeakPolarHBondContact CB-OD1 3.33Å; S105-D107 PolarHBondContact O-N 2.75Å; S105-D107 VanDerWaalsContact O-N 3.15Å; S105-D107 PolarHBondContact OG-N 2.87Å; S105-D107 VanDerWaalsContact OG-N 3.16Å; S105-D107 PolarHBondContact OG-OD1 2.97Å; S105-K108 PolarHBondContact O-N 2.88Å; S105-K108 VanDerWaalsContact O-N 3.08Å; S105-T109 PolarHBondContact N-O 3.08Å; S105-V131 PolarHBondContact N-O 3Å; S105-V131 PolarHBondContact O-N 2.78Å; S105-V131 VanDerWaalsContact O-N 3.12Å
106	D	98.9	Very high	98.8	Very high	45 Å²	45	32.8 Å²	32.8	24%	0.241	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-15	170	-56.6	-12.6	0	0	0	112.2	L87 G88 S90 K108 Y130	L87-D106 HydrophobicContact CB-CB 3.83Å; L87-D106 HydrophobicContact CD1-CB 4.28Å; G88-D106 PolarHBondContact O-N 2.98Å; S90-D106 PolarHBondContact OG-OD1 3.03Å; D106-K108 PolarHBondContact O-N 2.83Å; D106-K108 VanDerWaalsContact O-N 3.08Å; D106-Y130 HydrophobicContact CB-CD1 3.73Å; D106-Y130 HydrophobicContact CB-CE1 4.02Å; D106-Y130 HydrophobicContact CB-CG 4.08Å; D106-Y130 WeakPolarHBondContact O-CD1 3.23Å
107	D	98.9	Very high	98.7	Very high	28 Å²	28	32.8 Å²	32.8	15%	0.15	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	8.3	171.1	75.2	16.7	0	0	0	113.9	H85 K86 L87 S105 T109	H85-D107 WeakPolarHBondContact CA-OD2 3.46Å; H85-D107 IonicContact CE1-OD1 3.84Å; H85-D107 IonicContact CE1-OD2 3.98Å; H85-D107 IonicContact CG-OD2 3.63Å; H85-D107 IonicContact ND1-OD1 3.35Å; H85-D107 PolarHBondContact ND1-OD1 3.47Å; H85-D107 IonicContact ND1-OD2 2.87Å; H85-D107 PolarHBondContact ND1-OD2 2.78Å; K86-D107 HydrophobicContact CB-CB 4.01Å; K86-D107 PolarHBondContact N-OD2 3.31Å; L87-D107 HydrophobicContact CB-CB 4.1Å; L87-D107 HydrophobicContact CD1-CB 4.41Å; L87-D107 HydrophobicContact CG-CB 4.22Å; S105-D107 WeakPolarHBondContact CB-OD1 3.33Å; S105-D107 PolarHBondContact O-N 2.75Å; S105-D107 VanDerWaalsContact O-N 3.15Å; S105-D107 PolarHBondContact OG-N 2.87Å; S105-D107 VanDerWaalsContact OG-N 3.16Å; S105-D107 PolarHBondContact OG-OD1 2.97Å; D107-T109 PolarHBondContact O-N 3.43Å; D107-T109 WeakPolarHBondContact OD1-CB 3.48Å; D107-T109 PolarHBondContact OD1-N 2.79Å; D107-T109 PolarHBondContact OD1-OG1 2.83Å
108	K	98.9	Very high	98.7	Very high	93 Å²	93	29.7 Å²	29.7	40%	0.404	17%	0.165	S	C	.	.	S	Bend	trans	69.3	12.7	176.7	-44	-180	174.9	-163.6	0	113.5	S105 D106 S128 N129	S105-K108 PolarHBondContact O-N 2.88Å; S105-K108 VanDerWaalsContact O-N 3.08Å; D106-K108 PolarHBondContact O-N 2.83Å; D106-K108 VanDerWaalsContact O-N 3.08Å; K108-S128 WeakPolarHBondContact CD-O 3.48Å; K108-S128 WeakPolarHBondContact CE-O 3.4Å; K108-S128 PolarHBondContact NZ-O 3.07Å; K108-N129 WeakPolarHBondContact CA-O 3.16Å; K108-N129 WeakPolarHBondContact CB-O 3.29Å
109	T	98.9	Very high	98.7	Very high	19 Å²	19	35.9 Å²	35.9	12%	0.117	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	156.2	179	75.5	0	0	0	0	111.5	S105 D107 T123 L124 K125	S105-T109 PolarHBondContact N-O 3.08Å; D107-T109 PolarHBondContact O-N 3.43Å; D107-T109 WeakPolarHBondContact OD1-CB 3.48Å; D107-T109 PolarHBondContact OD1-N 2.79Å; D107-T109 PolarHBondContact OD1-OG1 2.83Å; T109-T123 HydrophobicContact CG2-CG2 3.92Å; T109-L124 WeakPolarHBondContact CA-O 3.26Å; T109-K125 HydrophobicContact CG2-CG 4.08Å
110	L	98.9	Very high	98.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	154.4	156.4	-54.1	92.1	0	0	0	109.7	V102 S103 A104 T123 L124 V131 C134 I143 W155	V102-L110 HydrophobicContact CG2-CB 4.08Å; V102-L110 HydrophobicContact CG2-CD2 3.86Å; S103-L110 CarbonylContact O-C 3.57Å; S103-L110 WeakPolarHBondContact O-CA 3.28Å; S103-L110 VanDerWaalsContact O-CB 3.31Å; S103-L110 WeakPolarHBondContact O-CB 3.4Å; A104-L110 HydrophobicContact CB-CD2 4.36Å; L110-T123 CarbonylContact O-C 3.46Å; L110-T123 WeakPolarHBondContact O-CA 3.17Å; L110-L124 HydrophobicContact CB-CB 4.02Å; L110-L124 HydrophobicContact CB-CD1 4.02Å; L110-L124 HydrophobicContact CB-CG 4.17Å; L110-L124 HydrophobicContact CD1-CB 4.26Å; L110-L124 PolarHBondContact N-O 2.93Å; L110-L124 VanDerWaalsContact N-O 3.13Å; L110-L124 PolarHBondContact O-N 3.31Å; L110-V131 HydrophobicContact CD1-CB 4.45Å; L110-V131 HydrophobicContact CD1-CG1 3.79Å; L110-V131 HydrophobicContact CD1-CG2 4.09Å; L110-V131 HydrophobicContact CD2-CG1 4.12Å; L110-V131 HydrophobicContact CG-CB 4.46Å; L110-V131 HydrophobicContact CG-CG1 3.84Å; L110-V131 HydrophobicContact CG-CG2 4.49Å; L110-C134 HydrophobicContact CD2-CB 3.54Å; L110-I143 HydrophobicContact CD2-CG2 4.19Å; L110-W155 HydrophobicContact CD1-CZ2 3.95Å
111	K	98.9	Very high	98.7	Very high	27 Å²	27	36.8 Å²	36.8	12%	0.117	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.2	170.6	-72.1	175.2	-178.9	-75.1	0	110.5	G84 V102 S103 W113 K122 T123	G84-K111 VanDerWaalsContact O-CE 3.31Å; G84-K111 WeakPolarHBondContact O-CE 3.24Å; V102-K111 VanDerWaalsContact CA-O 3.26Å; V102-K111 WeakPolarHBondContact CA-O 3.46Å; S103-K111 PolarHBondContact N-O 2.96Å; S103-K111 PolarHBondContact O-N 2.9Å; S103-K111 VanDerWaalsContact O-N 3.1Å; K111-W113 HydrophobicContact CB-CD2 4.31Å; K111-W113 VanDerWaalsContact CB-CE2 3.43Å; K111-W113 HydrophobicContact CB-CH2 4.26Å; K111-W113 HydrophobicContact CB-CZ2 3.42Å; K111-W113 VanDerWaalsContact CB-CZ2 3.42Å; K111-W113 HydrophobicContact CD-CH2 3.52Å; K111-W113 HydrophobicContact CD-CZ2 3.31Å; K111-W113 HydrophobicContact CG-CZ2 3.99Å; K111-W113 PolarHBondContact O-NE1 3.21Å; K111-K122 VanDerWaalsContact CA-O 3.31Å; K111-K122 WeakPolarHBondContact CA-O 3.3Å; K111-T123 HydrophobicContact CG-CG2 4.3Å; K111-T123 PolarHBondContact NZ-OG1 2.8Å
112	I	98.9	Very high	98.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.3	171.7	-52.4	-180	0	0	0	107.3	L100 L101 C120 L121 K122 L124 I143 V157	L100-I112 HydrophobicContact CD1-CG2 4.28Å; L101-I112 CarbonylContact O-C 3.55Å; L101-I112 WeakPolarHBondContact O-CA 3.41Å; I112-C120 CarbonylContact O-C 3.58Å; I112-L121 PolarHBondContact O-N 2.76Å; I112-K122 HydrophobicContact CB-CB 4.12Å; I112-K122 HydrophobicContact CD1-CB 4.02Å; I112-K122 HydrophobicContact CD1-CG 4.23Å; I112-K122 HydrophobicContact CG1-CB 4.13Å; I112-K122 PolarHBondContact N-O 2.81Å; I112-K122 PolarHBondContact O-N 2.98Å; I112-L124 HydrophobicContact CD1-CD1 4.29Å; I112-L124 HydrophobicContact CD1-CD2 4.11Å; I112-L124 HydrophobicContact CG1-CD1 4.29Å; I112-L124 HydrophobicContact CG1-CD2 4.43Å; I112-L124 HydrophobicContact CG1-CG 4.4Å; I112-I143 HydrophobicContact CD1-CD1 3.49Å; I112-I143 VanDerWaalsContact CD1-CD1 3.49Å; I112-I143 HydrophobicContact CG1-CD1 3.66Å; I112-V157 HydrophobicContact CD1-CB 4.46Å; I112-V157 HydrophobicContact CD1-CG1 4.17Å
113	W	98.9	Very high	98.6	Very high	4 Å²	4	43 Å²	43	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.5	-174.6	-47.9	90.7	0	0	0	110.2	I82 S83 H85 L100 L101 S103 K111 K119 C120	I82-W113 HydrophobicContact CG2-CB 4.45Å; I82-W113 HydrophobicContact CG2-CD2 3.57Å; I82-W113 HydrophobicContact CG2-CE3 3.25Å; I82-W113 HydrophobicContact CG2-CG 4.09Å; I82-W113 HydrophobicContact CG2-CH2 4.25Å; I82-W113 HydrophobicContact CG2-CZ3 3.62Å; S83-W113 WeakPolarHBondContact O-CZ3 3.33Å; H85-W113 AromaticContact CD2-CZ2 3.78Å; L100-W113 VanDerWaalsContact CA-O 3.23Å; L100-W113 WeakPolarHBondContact CA-O 3.42Å; L100-W113 WeakPolarHBondContact CD2-O 3.36Å; L101-W113 HydrophobicContact CB-CB 4.26Å; L101-W113 PolarHBondContact N-O 2.83Å; L101-W113 PolarHBondContact O-N 3.27Å; S103-W113 PolarHBondContact OG-NE1 3.02Å; K111-W113 HydrophobicContact CB-CD2 4.31Å; K111-W113 VanDerWaalsContact CB-CE2 3.43Å; K111-W113 HydrophobicContact CB-CH2 4.26Å; K111-W113 HydrophobicContact CB-CZ2 3.42Å; K111-W113 VanDerWaalsContact CB-CZ2 3.42Å; K111-W113 HydrophobicContact CD-CH2 3.52Å; K111-W113 HydrophobicContact CD-CZ2 3.31Å; K111-W113 HydrophobicContact CG-CZ2 3.99Å; K111-W113 PolarHBondContact O-NE1 3.21Å; W113-K119 WeakPolarHBondContact CA-O 3.26Å; W113-C120 HydrophobicContact CE3-CB 3.73Å; W113-C120 HydrophobicContact CH2-CB 4.21Å; W113-C120 HydrophobicContact CZ3-CB 3.52Å
114	D	98.8	Very high	98.6	Very high	43 Å²	43	43.1 Å²	43.1	23%	0.23	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120	160.8	177	-98.5	0	0	0	108.3	S117 G118 K119 L121	D114-S117 WeakPolarHBondContact OD1-CB 3.37Å; D114-S117 PolarHBondContact OD1-N 3.25Å; D114-S117 PolarHBondContact OD1-OG 3.44Å; D114-G118 WeakPolarHBondContact O-CA 3.4Å; D114-G118 PolarHBondContact O-N 3.44Å; D114-K119 PolarHBondContact N-O 3.31Å; D114-K119 PolarHBondContact O-N 3.03Å; D114-L121 HydrophobicContact CB-CD1 4.05Å; D114-L121 HydrophobicContact CB-CD2 3.98Å; D114-L121 HydrophobicContact CB-CG 4.04Å
115	V	98.1	Very high	98.6	Very high	12 Å²	12	50.6 Å²	50.6	7%	0.073	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-34.8	-171.7	175.5	0	0	0	0	111.6	K80 W94 N99 L101	K80-V115 PolarHBondContact NZ-O 3.48Å; K80-V115 VanDerWaalsContact NZ-O 3.12Å; W94-V115 HydrophobicContact CE3-CG2 4.24Å; W94-V115 HydrophobicContact CH2-CG1 3.88Å; W94-V115 HydrophobicContact CH2-CG2 4.23Å; W94-V115 HydrophobicContact CZ3-CB 4.19Å; W94-V115 HydrophobicContact CZ3-CG1 3.86Å; W94-V115 HydrophobicContact CZ3-CG2 3.62Å; N99-V115 WeakPolarHBondContact O-CB 3.23Å; N99-V115 WeakPolarHBondContact O-CG2 3.15Å; N99-V115 PolarHBondContact O-N 2.8Å; L101-V115 HydrophobicContact CB-CG2 4.19Å; L101-V115 HydrophobicContact CD1-CG2 3.91Å; L101-V115 HydrophobicContact CG-CG2 3.61Å
116	N	97.3	Very high	98.6	Very high	133 Å²	133	52.2 Å²	52.2	71%	0.711	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-52.1	-179.1	-171.2	39.8	0	0	0	111.3	K80	K80-N116 PolarHBondContact NZ-O 3.36Å
117	S	97.8	Very high	98.6	Very high	62 Å²	62	50.6 Å²	50.6	43%	0.434	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-16.3	180	67.6	0	0	0	0	114.8	D114 K119	D114-S117 WeakPolarHBondContact OD1-CB 3.37Å; D114-S117 PolarHBondContact OD1-N 3.25Å; D114-S117 PolarHBondContact OD1-OG 3.44Å; S117-K119 PolarHBondContact O-N 2.77Å; S117-K119 WeakPolarHBondContact OG-CB 3.47Å; S117-K119 PolarHBondContact OG-N 2.56Å
118	G	97.5	Very high	98.6	Very high	22 Å²	22	53 Å²	53	23%	0.227	29%	0.289	C	S	.	.			trans	71.1	8	-173.7	0	0	0	0	0	114.2	D114	D114-G118 WeakPolarHBondContact O-CA 3.4Å; D114-G118 PolarHBondContact O-N 3.44Å
119	K	98.5	Very high	98.6	Very high	144 Å²	144	51.1 Å²	51.1	63%	0.626	28%	0.284	S	S	*	.			trans	-79.1	138.5	-175.4	-69.9	179.4	179	176.1	0	111.8	W113 D114 S117 L121	W113-K119 WeakPolarHBondContact CA-O 3.26Å; D114-K119 PolarHBondContact N-O 3.31Å; D114-K119 PolarHBondContact O-N 3.03Å; S117-K119 PolarHBondContact O-N 2.77Å; S117-K119 WeakPolarHBondContact OG-CB 3.47Å; S117-K119 PolarHBondContact OG-N 2.56Å; K119-L121 PolarHBondContact O-N 3.45Å
120	C	98.8	Very high	98.6	Very high	54 Å²	54	55.1 Å²	55.1	37%	0.365	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	107.8	166.2	179.7	0	0	0	0	109.5	I112 W113 K122	I112-C120 CarbonylContact O-C 3.58Å; W113-C120 HydrophobicContact CE3-CB 3.73Å; W113-C120 HydrophobicContact CH2-CB 4.21Å; W113-C120 HydrophobicContact CZ3-CB 3.52Å; C120-K122 PolarHBondContact SG-O 2.88Å; C120-K122 VanDerWaalsContact SG-O 3.41Å
121	L	98.8	Very high	98.6	Very high	84 Å²	84	55.1 Å²	55.1	44%	0.44	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-41.4	178.2	-58.9	-176.4	0	0	0	112.1	L100 I112 D114 K119	L100-L121 HydrophobicContact CD2-CD1 3.65Å; I112-L121 PolarHBondContact O-N 2.76Å; D114-L121 HydrophobicContact CB-CD1 4.05Å; D114-L121 HydrophobicContact CB-CD2 3.98Å; D114-L121 HydrophobicContact CB-CG 4.04Å; K119-L121 PolarHBondContact O-N 3.45Å
122	K	98.8	Very high	98.6	Very high	81 Å²	81	55.9 Å²	55.9	35%	0.352	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.7	-177.1	-58.7	-67.3	172.6	179.1	0	110.9	K111 I112 C120 L124 K158	K111-K122 VanDerWaalsContact CA-O 3.31Å; K111-K122 WeakPolarHBondContact CA-O 3.3Å; I112-K122 HydrophobicContact CB-CB 4.12Å; I112-K122 HydrophobicContact CD1-CB 4.02Å; I112-K122 HydrophobicContact CD1-CG 4.23Å; I112-K122 HydrophobicContact CG1-CB 4.13Å; I112-K122 PolarHBondContact N-O 2.81Å; I112-K122 PolarHBondContact O-N 2.98Å; C120-K122 PolarHBondContact SG-O 2.88Å; C120-K122 VanDerWaalsContact SG-O 3.41Å; K122-L124 HydrophobicContact CB-CD2 4.14Å; K122-K158 VanDerWaalsContact CE-O 3.25Å; K122-K158 WeakPolarHBondContact CE-O 3.06Å
123	T	98.9	Very high	98.6	Very high	51 Å²	51	56.1 Å²	56.1	31%	0.313	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	114.2	165.4	-60.7	0	0	0	0	107.8	T109 L110 K111 K125	T109-T123 HydrophobicContact CG2-CG2 3.92Å; L110-T123 CarbonylContact O-C 3.46Å; L110-T123 WeakPolarHBondContact O-CA 3.17Å; K111-T123 HydrophobicContact CG-CG2 4.3Å; K111-T123 PolarHBondContact NZ-OG1 2.8Å; T123-K125 HydrophobicContact CG2-CG 4.1Å; T123-K125 PolarHBondContact O-N 2.87Å
124	L	98.9	Very high	98.6	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110	-178.4	-47.1	-173.8	0	0	0	108.2	T109 L110 I112 K122 I143 W155 G160	T109-L124 WeakPolarHBondContact CA-O 3.26Å; L110-L124 HydrophobicContact CB-CB 4.02Å; L110-L124 HydrophobicContact CB-CD1 4.02Å; L110-L124 HydrophobicContact CB-CG 4.17Å; L110-L124 HydrophobicContact CD1-CB 4.26Å; L110-L124 PolarHBondContact N-O 2.93Å; L110-L124 VanDerWaalsContact N-O 3.13Å; L110-L124 PolarHBondContact O-N 3.31Å; I112-L124 HydrophobicContact CD1-CD1 4.29Å; I112-L124 HydrophobicContact CD1-CD2 4.11Å; I112-L124 HydrophobicContact CG1-CD1 4.29Å; I112-L124 HydrophobicContact CG1-CD2 4.43Å; I112-L124 HydrophobicContact CG1-CG 4.4Å; K122-L124 HydrophobicContact CB-CD2 4.14Å; L124-I143 HydrophobicContact CD1-CD1 4.02Å; L124-I143 HydrophobicContact CD1-CG2 4.41Å; L124-W155 HydrophobicContact CB-CD2 4.04Å; L124-W155 HydrophobicContact CB-CE3 3.73Å; L124-W155 HydrophobicContact CB-CH2 4.27Å; L124-W155 HydrophobicContact CB-CZ3 3.85Å; L124-W155 HydrophobicContact CD1-CB 3.87Å; L124-W155 HydrophobicContact CD1-CD2 3.97Å; L124-W155 HydrophobicContact CD1-CE3 4.31Å; L124-W155 HydrophobicContact CD1-CG 3.77Å; L124-W155 HydrophobicContact CG-CE3 4.4Å; L124-G160 WeakPolarHBondContact CD2-O 3.34Å
125	K	98.9	Very high	98.6	Very high	158 Å²	158	55.6 Å²	55.6	69%	0.687	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.6	-178.8	-61.4	-177.9	-178.3	179.8	0	109.6	T109 T123 W155	T109-K125 HydrophobicContact CG2-CG 4.08Å; T123-K125 HydrophobicContact CG2-CG 4.1Å; T123-K125 PolarHBondContact O-N 2.87Å; K125-W155 WeakPolarHBondContact O-CZ3 3.46Å
126	G	98.7	Very high	98.7	Very high	33 Å²	33	55.3 Å²	55.3	34%	0.34	30%	0.298	S	S	.	.			trans	164.2	-34	173.6	0	0	0	0	0	113.7	R153	G126-R153 PolarHBondContact O-NH1 2.55Å; G126-R153 PolarHBondContact O-NH2 3.35Å
127	H	98.9	Very high	98.7	Very high	11 Å²	11	49.3 Å²	49.3	5%	0.051	27%	0.265	C	S	.	.			trans	-60.8	143.3	170.7	-78.7	-62.6	0	0	0	111	V131 S145 S147 D149 S151 W155	H127-V131 HydrophobicContact CB-CG2 3.88Å; H127-S145 PolarHBondContact NE2-OG 2.78Å; H127-S147 WeakPolarHBondContact CE1-CB 3.3Å; H127-S147 WeakPolarHBondContact ND1-CB 3.34Å; H127-S147 PolarHBondContact ND1-OG 2.78Å; H127-D149 WeakPolarHBondContact CA-OD2 3.45Å; H127-D149 VanDerWaalsContact CB-OD2 3.23Å; H127-D149 WeakPolarHBondContact CB-OD2 3.24Å; H127-D149 IonicContact CE1-OD1 2.82Å; H127-D149 IonicContact CE1-OD2 3.55Å; H127-D149 IonicContact CG-OD2 2.85Å; H127-D149 IonicContact ND1-OD1 3.41Å; H127-D149 PolarHBondContact ND1-OD1 2.89Å; H127-D149 VanDerWaalsContact ND1-OD1 3.14Å; H127-D149 IonicContact ND1-OD2 3.22Å; H127-D149 PolarHBondContact ND1-OD2 3.31Å; H127-S151 PolarHBondContact CE1-OG 2.85Å; H127-S151 VanDerWaalsContact CE1-OG 3.31Å; H127-S151 PolarHBondContact ND1-OG 2.78Å; H127-W155 AromaticContact CD2-CZ2 3.89Å
128	S	98.8	Very high	98.8	Very high	79 Å²	79	48.5 Å²	48.5	55%	0.552	26%	0.259	S	S	*	.	S	Bend	trans	-99	-7.8	-178.6	56.8	0	0	0	0	112.8	K108 D149	K108-S128 WeakPolarHBondContact CD-O 3.48Å; K108-S128 WeakPolarHBondContact CE-O 3.4Å; K108-S128 PolarHBondContact NZ-O 3.07Å; S128-D149 PolarHBondContact N-OD2 2.93Å; S128-D149 WeakPolarHBondContact OG-CB 3.28Å
129	N	98.9	Very high	98.8	Very high	54 Å²	54	52.7 Å²	52.7	29%	0.289	27%	0.272	S	S	.	.	S	Bend	trans	-138.9	-173.1	176.4	-149.5	-14	0	0	0	111.5	K108 V131 S147 F148 D149	K108-N129 WeakPolarHBondContact CA-O 3.16Å; K108-N129 WeakPolarHBondContact CB-O 3.29Å; N129-V131 PolarHBondContact O-N 3.17Å; N129-S147 PolarHBondContact O-OG 3.37Å; N129-F148 HydrophobicContact CB-CB 3.88Å; N129-F148 PolarHBondContact ND2-O 2.89Å; N129-D149 HydrophobicContact CB-CB 3.95Å
130	Y	98.9	Very high	98.8	Very high	103 Å²	103	46.6 Å²	46.6	40%	0.404	25%	0.248	S	C	.	.			trans	-55	126	-177.2	-54.9	-23	0	0	0	111.6	D106 F132 S147 F148	D106-Y130 HydrophobicContact CB-CD1 3.73Å; D106-Y130 HydrophobicContact CB-CE1 4.02Å; D106-Y130 HydrophobicContact CB-CG 4.08Å; D106-Y130 WeakPolarHBondContact O-CD1 3.23Å; Y130-F132 PolarHBondContact O-N 3.14Å; Y130-S147 CarbonylContact O-C 3.55Å; Y130-S147 VanDerWaalsContact O-CA 3.24Å; Y130-S147 WeakPolarHBondContact O-CA 3.41Å; Y130-S147 WeakPolarHBondContact O-CB 3.45Å; Y130-S147 PolarHBondContact O-OG 3.02Å; Y130-F148 HydrophobicContact CD2-CG 4.41Å; Y130-F148 PolarHBondContact O-N 3.37Å
131	V	98.9	Very high	98.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	118.9	170.8	-164.5	0	0	0	0	107.5	A104 S105 L110 H127 N129 G146	A104-V131 CarbonylContact C-O 3.59Å; A104-V131 HydrophobicContact CB-CB 3.97Å; A104-V131 HydrophobicContact CB-CG1 3.69Å; A104-V131 WeakPolarHBondContact CB-O 3.25Å; S105-V131 PolarHBondContact N-O 3Å; S105-V131 PolarHBondContact O-N 2.78Å; S105-V131 VanDerWaalsContact O-N 3.12Å; L110-V131 HydrophobicContact CD1-CB 4.45Å; L110-V131 HydrophobicContact CD1-CG1 3.79Å; L110-V131 HydrophobicContact CD1-CG2 4.09Å; L110-V131 HydrophobicContact CD2-CG1 4.12Å; L110-V131 HydrophobicContact CG-CB 4.46Å; L110-V131 HydrophobicContact CG-CG1 3.84Å; L110-V131 HydrophobicContact CG-CG2 4.49Å; H127-V131 HydrophobicContact CB-CG2 3.88Å; N129-V131 PolarHBondContact O-N 3.17Å; V131-G146 WeakPolarHBondContact CG1-O 3.24Å
132	F	98.9	Very high	98.9	Very high	43 Å²	43	44.7 Å²	44.7	19%	0.189	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-38.8	-167.9	-169.6	-108.6	0	0	0	112.9	S90 D91 Y130 G146 F148 S174 C260	S90-F132 WeakPolarHBondContact CB-O 3.38Å; D91-F132 WeakPolarHBondContact CB-O 3.36Å; Y130-F132 PolarHBondContact O-N 3.14Å; F132-G146 PolarHBondContact N-O 2.56Å; F132-F148 HydrophobicContact CB-CD2 4.21Å; F132-F148 HydrophobicContact CB-CE2 4.28Å; F132-F148 HydrophobicContact CD2-CD2 4.39Å; F132-F148 AromaticContact CD2-CE2 3.71Å; F132-F148 HydrophobicContact CD2-CE2 3.71Å; F132-F148 HydrophobicContact CE2-CE2 4.28Å; F132-F148 HydrophobicContact CG-CD2 4.48Å; F132-F148 HydrophobicContact CG-CE2 4.06Å; F132-S174 VanDerWaalsContact CD1-O 3.29Å; F132-S174 WeakPolarHBondContact CD1-O 3.04Å; F132-S174 WeakPolarHBondContact CE1-O 3.38Å; F132-C260 HydrophobicContact CE1-CB 3.61Å; F132-C260 VanDerWaalsContact CE1-SG 3.55Å; F132-C260 HydrophobicContact CZ-CB 3.62Å
133	C	98.9	Very high	98.9	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150	-174.9	51.7	0	0	0	0	111.4	S145 G146 A175 V176	C133-S145 VanDerWaalsContact O-CA 3.28Å; C133-S145 WeakPolarHBondContact O-CA 3.38Å; C133-G146 PolarHBondContact N-O 3.1Å; C133-G146 PolarHBondContact O-N 3.47Å; C133-G146 VanDerWaalsContact SG-CA 3.56Å; C133-A175 VanDerWaalsContact SG-C 3.59Å; C133-A175 WeakPolarHBondContact SG-CA 3.46Å; C133-V176 HydrophobicContact CB-CG2 4.25Å
134	C	98.9	Very high	98.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	154.3	178.8	63	0	0	0	0	113.2	D91 V102 A104 L110 V144	D91-C134 PolarHBondContact OD2-N 3.08Å; D91-C134 VanDerWaalsContact OD2-N 3.12Å; V102-C134 HydrophobicContact CG1-CB 4.28Å; V102-C134 HydrophobicContact CG2-CB 4.47Å; A104-C134 HydrophobicContact CB-CB 4.07Å; L110-C134 HydrophobicContact CD2-CB 3.54Å; C134-V144 CarbonylContact C-O 3.57Å; C134-V144 VanDerWaalsContact CA-O 3.26Å; C134-V144 WeakPolarHBondContact CA-O 3.28Å
135	N	98.9	Very high	98.9	Very high	36 Å²	36	38.4 Å²	38.4	19%	0.193	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	150.4	173.6	-139.3	-57.3	0	0	0	112.1	I143 V144 H177	N135-I143 CarbonylContact O-C 3.59Å; N135-I143 VanDerWaalsContact O-CA 3.3Å; N135-I143 WeakPolarHBondContact O-CA 3.5Å; N135-V144 HydrophobicContact CB-CG1 3.95Å; N135-V144 PolarHBondContact N-O 3.48Å; N135-V144 PolarHBondContact O-N 3.03Å; N135-H177 PolarHBondContact ND2-CD2 3.12Å
136	F	98.9	Very high	98.9	Very high	7 Å²	7	30.9 Å²	30.9	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	152.2	164.7	-78.5	-87.4	0	0	0	110.1	W94 L100 V102 L142 I143 V157 F178	W94-F136 VanDerWaalsContact C-CD2 3.41Å; W94-F136 WeakPolarHBondContact O-CD2 3.34Å; L100-F136 HydrophobicContact CB-CZ 4.07Å; V102-F136 HydrophobicContact CB-CD2 4.37Å; V102-F136 HydrophobicContact CB-CE2 3.66Å; V102-F136 HydrophobicContact CB-CZ 4.03Å; V102-F136 HydrophobicContact CG1-CD2 3.68Å; V102-F136 HydrophobicContact CG1-CE2 3.45Å; V102-F136 VanDerWaalsContact CG1-CE2 3.45Å; V102-F136 HydrophobicContact CG1-CZ 4.23Å; F136-L142 WeakPolarHBondContact CA-O 3.28Å; F136-I143 HydrophobicContact CD1-CD1 4.26Å; F136-I143 HydrophobicContact CD1-CG1 3.62Å; F136-I143 HydrophobicContact CE1-CD1 3.68Å; F136-I143 HydrophobicContact CE1-CG1 3.57Å; F136-I143 HydrophobicContact CE2-CG1 4.48Å; F136-I143 HydrophobicContact CG-CG1 4.12Å; F136-I143 HydrophobicContact CZ-CD1 3.85Å; F136-I143 HydrophobicContact CZ-CG1 4.03Å; F136-V157 HydrophobicContact CD1-CG2 3.94Å; F136-V157 HydrophobicContact CE1-CG1 4.15Å; F136-V157 HydrophobicContact CE1-CG2 3.6Å; F136-F178 WeakPolarHBondContact O-CD2 3.46Å
137	N	98.9	Very high	98.9	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.032	15%	0.154	C	C	.	.			trans	-74.8	165.3	161.8	75.3	-33.9	0	0	0	110.6	Q139 S140 N141 L142 F178	N137-Q139 PolarHBondContact ND2-OE1 2.81Å; N137-Q139 PolarHBondContact O-N 3.23Å; N137-S140 WeakPolarHBondContact O-CA 3.3Å; N137-S140 PolarHBondContact O-N 3.31Å; N137-S140 WeakPolarHBondContact OD1-CA 3.15Å; N137-S140 PolarHBondContact OD1-N 2.99Å; N137-N141 PolarHBondContact ND2-OD1 2.88Å; N137-N141 PolarHBondContact OD1-N 2.89Å; N137-N141 PolarHBondContact OD1-OD1 3.22Å; N137-L142 HydrophobicContact CB-CB 4.2Å; N137-L142 PolarHBondContact N-O 2.75Å; N137-L142 PolarHBondContact OD1-N 2.97Å; N137-L142 PolarHBondContact OD1-O 3.45Å; N137-F178 VanDerWaalsContact CA-CD2 3.42Å; N137-F178 HydrophobicContact CB-CB 4.49Å; N137-F178 HydrophobicContact CB-CD1 3.85Å; N137-F178 HydrophobicContact CB-CD2 3.69Å; N137-F178 HydrophobicContact CB-CE1 3.88Å; N137-F178 HydrophobicContact CB-CE2 3.7Å; N137-F178 HydrophobicContact CB-CG 3.75Å; N137-F178 HydrophobicContact CB-CZ 3.81Å
138	P	98.6	Very high	98.9	Very high	46 Å²	46	31.8 Å²	31.8	30%	0.299	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.1	-178.8	-26.6	35.6	0	0	0	114.5	S96 S140 N179 R180	S96-P138 VanDerWaalsContact CB-O 3.27Å; S96-P138 WeakPolarHBondContact CB-O 3.42Å; S96-P138 PolarHBondContact OG-O 3.44Å; P138-S140 VanDerWaalsContact C-N 3.25Å; P138-S140 PolarHBondContact O-N 3.38Å; P138-N179 WeakPolarHBondContact CG-O 3.26Å; P138-R180 WeakPolarHBondContact CB-O 3.32Å; P138-R180 WeakPolarHBondContact CG-O 3.38Å
139	Q	98.6	Very high	98.9	Very high	109 Å²	109	29.3 Å²	29.3	51%	0.509	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.5	176.2	-59.2	78.2	20.1	0	0	113.1	N137 N141 D181	N137-Q139 PolarHBondContact ND2-OE1 2.81Å; N137-Q139 PolarHBondContact O-N 3.23Å; Q139-N141 WeakPolarHBondContact CB-OD1 3.33Å; Q139-N141 PolarHBondContact O-N 3.31Å; Q139-D181 PolarHBondContact NE2-O 3.45Å; Q139-D181 PolarHBondContact OE1-O 3.36Å
140	S	98.7	Very high	98.9	Very high	17 Å²	17	30.8 Å²	30.8	12%	0.119	15%	0.15	C	C	.	.	S	Bend	trans	53.8	20.9	-178.4	-57	0	0	0	0	115.6	S95 S96 N137 P138 V157	S95-S140 WeakPolarHBondContact CA-OG 3.32Å; S95-S140 WeakPolarHBondContact CB-OG 3.39Å; S96-S140 PolarHBondContact N-OG 3.41Å; S96-S140 PolarHBondContact OG-OG 3.1Å; N137-S140 WeakPolarHBondContact O-CA 3.3Å; N137-S140 PolarHBondContact O-N 3.31Å; N137-S140 WeakPolarHBondContact OD1-CA 3.15Å; N137-S140 PolarHBondContact OD1-N 2.99Å; P138-S140 VanDerWaalsContact C-N 3.25Å; P138-S140 PolarHBondContact O-N 3.38Å; S140-V157 WeakPolarHBondContact O-CG2 3.1Å
141	N	98.8	Very high	98.9	Very high	76 Å²	76	26.3 Å²	26.3	41%	0.406	13%	0.134	S	C	.	.	S	Bend	trans	-94.9	-15.6	174.6	71.2	-55.7	0	0	0	112.4	N137 Q139 V157	N137-N141 PolarHBondContact ND2-OD1 2.88Å; N137-N141 PolarHBondContact OD1-N 2.89Å; N137-N141 PolarHBondContact OD1-OD1 3.22Å; Q139-N141 WeakPolarHBondContact CB-OD1 3.33Å; Q139-N141 PolarHBondContact O-N 3.31Å; N141-V157 VanDerWaalsContact C-CG2 3.44Å; N141-V157 WeakPolarHBondContact O-CB 3.27Å; N141-V157 WeakPolarHBondContact O-CG2 3.24Å; N141-V157 PolarHBondContact O-N 3.4Å
142	L	98.9	Very high	98.9	Very high	22 Å²	22	26.3 Å²	26.3	12%	0.115	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.1	175.7	-59.3	177.7	0	0	0	111.4	F136 N137 I154 W155 L163 F178 T199	F136-L142 WeakPolarHBondContact CA-O 3.28Å; N137-L142 HydrophobicContact CB-CB 4.2Å; N137-L142 PolarHBondContact N-O 2.75Å; N137-L142 PolarHBondContact OD1-N 2.97Å; N137-L142 PolarHBondContact OD1-O 3.45Å; L142-I154 HydrophobicContact CB-CG2 4.46Å; L142-I154 HydrophobicContact CD1-CG2 4.24Å; L142-I154 HydrophobicContact CD2-CG2 4.23Å; L142-W155 VanDerWaalsContact CA-O 3.28Å; L142-W155 WeakPolarHBondContact CA-O 3.49Å; L142-L163 HydrophobicContact CD2-CD1 3.63Å; L142-F178 HydrophobicContact CB-CZ 4.2Å; L142-T199 HydrophobicContact CD1-CG2 3.7Å
143	I	99	Very high	98.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.5	163.8	-73.2	157.2	0	0	0	108	V102 L110 I112 L124 N135 F136 I154 W155 V157	V102-I143 HydrophobicContact CB-CD1 3.93Å; V102-I143 HydrophobicContact CB-CG1 4.37Å; V102-I143 HydrophobicContact CG1-CD1 4.47Å; V102-I143 HydrophobicContact CG1-CG1 4.38Å; V102-I143 HydrophobicContact CG2-CD1 3.8Å; V102-I143 HydrophobicContact CG2-CG1 4.36Å; V102-I143 HydrophobicContact CG2-CG2 4.06Å; L110-I143 HydrophobicContact CD2-CG2 4.19Å; I112-I143 HydrophobicContact CD1-CD1 3.49Å; I112-I143 VanDerWaalsContact CD1-CD1 3.49Å; I112-I143 HydrophobicContact CG1-CD1 3.66Å; L124-I143 HydrophobicContact CD1-CD1 4.02Å; L124-I143 HydrophobicContact CD1-CG2 4.41Å; N135-I143 CarbonylContact O-C 3.59Å; N135-I143 VanDerWaalsContact O-CA 3.3Å; N135-I143 WeakPolarHBondContact O-CA 3.5Å; F136-I143 HydrophobicContact CD1-CD1 4.26Å; F136-I143 HydrophobicContact CD1-CG1 3.62Å; F136-I143 HydrophobicContact CE1-CD1 3.68Å; F136-I143 HydrophobicContact CE1-CG1 3.57Å; F136-I143 HydrophobicContact CE2-CG1 4.48Å; F136-I143 HydrophobicContact CG-CG1 4.12Å; F136-I143 HydrophobicContact CZ-CD1 3.85Å; F136-I143 HydrophobicContact CZ-CG1 4.03Å; I143-I154 CarbonylContact O-C 3.56Å; I143-I154 WeakPolarHBondContact O-CA 3.39Å; I143-W155 HydrophobicContact CB-CB 4.26Å; I143-W155 PolarHBondContact N-O 3.01Å; I143-W155 PolarHBondContact O-N 2.88Å; I143-V157 HydrophobicContact CD1-CG2 3.78Å; I143-V157 HydrophobicContact CG1-CG2 3.77Å
144	V	99	Very high	98.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.5	165.6	65.4	0	0	0	0	109.5	C134 N135 V152 R153 V176 F178 I185	C134-V144 CarbonylContact C-O 3.57Å; C134-V144 VanDerWaalsContact CA-O 3.26Å; C134-V144 WeakPolarHBondContact CA-O 3.28Å; N135-V144 HydrophobicContact CB-CG1 3.95Å; N135-V144 PolarHBondContact N-O 3.48Å; N135-V144 PolarHBondContact O-N 3.03Å; V144-V152 HydrophobicContact CG2-CG1 3.56Å; V144-R153 CarbonylContact C-O 3.59Å; V144-R153 VanDerWaalsContact CA-O 3.3Å; V144-R153 WeakPolarHBondContact CA-O 3.49Å; V144-V176 HydrophobicContact CB-CG2 4.46Å; V144-V176 HydrophobicContact CG1-CB 4Å; V144-V176 HydrophobicContact CG1-CG2 3.78Å; V144-V176 HydrophobicContact CG2-CB 3.97Å; V144-V176 HydrophobicContact CG2-CG1 4.24Å; V144-V176 HydrophobicContact CG2-CG2 4.17Å; V144-F178 HydrophobicContact CB-CD2 4.31Å; V144-F178 HydrophobicContact CB-CE2 3.52Å; V144-F178 HydrophobicContact CB-CZ 3.82Å; V144-F178 HydrophobicContact CG1-CD2 3.64Å; V144-F178 HydrophobicContact CG1-CE2 3.33Å; V144-F178 HydrophobicContact CG1-CZ 4.08Å; V144-I185 HydrophobicContact CB-CD1 4.3Å; V144-I185 HydrophobicContact CG2-CD1 3.93Å; V144-I185 HydrophobicContact CG2-CG1 4.35Å; V144-I185 HydrophobicContact CG2-CG2 3.96Å
145	S	98.9	Very high	98.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.3	175.2	63.5	0	0	0	0	112.4	H127 C133 V152 R153 W155	H127-S145 PolarHBondContact NE2-OG 2.78Å; C133-S145 VanDerWaalsContact O-CA 3.28Å; C133-S145 WeakPolarHBondContact O-CA 3.38Å; S145-V152 CarbonylContact O-C 3.48Å; S145-V152 VanDerWaalsContact O-CA 3.24Å; S145-V152 WeakPolarHBondContact O-CA 3.48Å; S145-R153 PolarHBondContact N-O 2.79Å; S145-R153 PolarHBondContact O-N 3.31Å; S145-W155 PolarHBondContact OG-NE1 3.36Å
146	G	98.9	Very high	98.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	149.9	170.4	0	0	0	0	0	110.9	V131 F132 C133	V131-G146 WeakPolarHBondContact CG1-O 3.24Å; F132-G146 PolarHBondContact N-O 2.56Å; C133-G146 PolarHBondContact N-O 3.1Å; C133-G146 PolarHBondContact O-N 3.47Å; C133-G146 VanDerWaalsContact SG-CA 3.56Å
147	S	98.9	Very high	98.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	162.6	-169.1	170.2	0	0	0	0	112.9	H127 N129 Y130 D149 E150 S151 V173	H127-S147 WeakPolarHBondContact CE1-CB 3.3Å; H127-S147 WeakPolarHBondContact ND1-CB 3.34Å; H127-S147 PolarHBondContact ND1-OG 2.78Å; N129-S147 PolarHBondContact O-OG 3.37Å; Y130-S147 CarbonylContact O-C 3.55Å; Y130-S147 VanDerWaalsContact O-CA 3.24Å; Y130-S147 WeakPolarHBondContact O-CA 3.41Å; Y130-S147 WeakPolarHBondContact O-CB 3.45Å; Y130-S147 PolarHBondContact O-OG 3.02Å; S147-D149 WeakPolarHBondContact CB-OD1 3.34Å; S147-D149 PolarHBondContact O-N 2.87Å; S147-D149 PolarHBondContact OG-N 3.02Å; S147-D149 VanDerWaalsContact OG-N 3.08Å; S147-D149 PolarHBondContact OG-OD1 3.49Å; S147-D149 PolarHBondContact OG-OD2 2.79Å; S147-D149 VanDerWaalsContact OG-OD2 3.08Å; S147-E150 PolarHBondContact O-N 3.19Å; S147-E150 VanDerWaalsContact O-N 3.12Å; S147-S151 PolarHBondContact N-O 2.85Å; S147-V173 PolarHBondContact O-N 3.34Å
148	F	98.9	Very high	98.9	Very high	63 Å²	63	34.8 Å²	34.8	28%	0.276	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-1.4	166.5	-89.7	-108.8	0	0	0	113.9	N129 Y130 F132 P172	N129-F148 HydrophobicContact CB-CB 3.88Å; N129-F148 PolarHBondContact ND2-O 2.89Å; Y130-F148 HydrophobicContact CD2-CG 4.41Å; Y130-F148 PolarHBondContact O-N 3.37Å; F132-F148 HydrophobicContact CB-CD2 4.21Å; F132-F148 HydrophobicContact CB-CE2 4.28Å; F132-F148 HydrophobicContact CD2-CD2 4.39Å; F132-F148 AromaticContact CD2-CE2 3.71Å; F132-F148 HydrophobicContact CD2-CE2 3.71Å; F132-F148 HydrophobicContact CE2-CE2 4.28Å; F132-F148 HydrophobicContact CG-CD2 4.48Å; F132-F148 HydrophobicContact CG-CE2 4.06Å; F148-P172 HydrophobicContact CB-CB 4.37Å; F148-P172 HydrophobicContact CD1-CB 3.79Å; F148-P172 HydrophobicContact CD1-CG 3.53Å; F148-P172 HydrophobicContact CD2-CB 3.99Å; F148-P172 HydrophobicContact CE1-CB 3.99Å; F148-P172 HydrophobicContact CE1-CG 3.79Å; F148-P172 HydrophobicContact CE2-CB 4.16Å; F148-P172 HydrophobicContact CG-CB 3.79Å; F148-P172 HydrophobicContact CG-CG 4Å; F148-P172 HydrophobicContact CZ-CB 4.17Å; F148-P172 HydrophobicContact CZ-CG 4.44Å
149	D	98.8	Very high	98.9	Very high	28 Å²	28	36 Å²	36	15%	0.15	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	14.3	166.7	65.6	26.4	0	0	0	112.9	H127 S128 N129 S147 S151	H127-D149 WeakPolarHBondContact CA-OD2 3.45Å; H127-D149 VanDerWaalsContact CB-OD2 3.23Å; H127-D149 WeakPolarHBondContact CB-OD2 3.24Å; H127-D149 IonicContact CE1-OD1 2.82Å; H127-D149 IonicContact CE1-OD2 3.55Å; H127-D149 IonicContact CG-OD2 2.85Å; H127-D149 IonicContact ND1-OD1 3.41Å; H127-D149 PolarHBondContact ND1-OD1 2.89Å; H127-D149 VanDerWaalsContact ND1-OD1 3.14Å; H127-D149 IonicContact ND1-OD2 3.22Å; H127-D149 PolarHBondContact ND1-OD2 3.31Å; S128-D149 PolarHBondContact N-OD2 2.93Å; S128-D149 WeakPolarHBondContact OG-CB 3.28Å; N129-D149 HydrophobicContact CB-CB 3.95Å; S147-D149 WeakPolarHBondContact CB-OD1 3.34Å; S147-D149 PolarHBondContact O-N 2.87Å; S147-D149 PolarHBondContact OG-N 3.02Å; S147-D149 VanDerWaalsContact OG-N 3.08Å; S147-D149 PolarHBondContact OG-OD1 3.49Å; S147-D149 PolarHBondContact OG-OD2 2.79Å; S147-D149 VanDerWaalsContact OG-OD2 3.08Å; D149-S151 PolarHBondContact O-N 3.35Å; D149-S151 VanDerWaalsContact OD1-CB 3.31Å; D149-S151 WeakPolarHBondContact OD1-CB 3.24Å; D149-S151 PolarHBondContact OD1-N 3.16Å; D149-S151 VanDerWaalsContact OD1-N 3.1Å; D149-S151 PolarHBondContact OD1-OG 2.88Å
150	E	98.9	Very high	98.9	Very high	84 Å²	84	31.6 Å²	31.6	39%	0.393	16%	0.16	S	C	.	.	S	Bend	trans	67.3	1.2	173.6	-47.3	165.1	-156.6	0	0	113.7	S147 H169	S147-E150 PolarHBondContact O-N 3.19Å; S147-E150 VanDerWaalsContact O-N 3.12Å; E150-H169 PolarHBondContact O-N 3.11Å; E150-H169 VanDerWaalsContact O-N 3.11Å
151	S	98.9	Very high	98.9	Very high	10 Å²	10	37.8 Å²	37.8	7%	0.07	19%	0.185	C	C	.	.			trans	-97.2	150.9	-179.3	79	0	0	0	0	113.1	H127 S147 D149 L166	H127-S151 PolarHBondContact CE1-OG 2.85Å; H127-S151 VanDerWaalsContact CE1-OG 3.31Å; H127-S151 PolarHBondContact ND1-OG 2.78Å; S147-S151 PolarHBondContact N-O 2.85Å; D149-S151 PolarHBondContact O-N 3.35Å; D149-S151 VanDerWaalsContact OD1-CB 3.31Å; D149-S151 WeakPolarHBondContact OD1-CB 3.24Å; D149-S151 PolarHBondContact OD1-N 3.16Å; D149-S151 VanDerWaalsContact OD1-N 3.1Å; D149-S151 PolarHBondContact OD1-OG 2.88Å; S151-L166 WeakPolarHBondContact CA-O 3.21Å; S151-L166 WeakPolarHBondContact CB-O 3.31Å
152	V	98.9	Very high	98.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.3	163.3	171.4	0	0	0	0	108.4	V144 S145 L166 A168 V173 V176	V144-V152 HydrophobicContact CG2-CG1 3.56Å; S145-V152 CarbonylContact O-C 3.48Å; S145-V152 VanDerWaalsContact O-CA 3.24Å; S145-V152 WeakPolarHBondContact O-CA 3.48Å; V152-L166 HydrophobicContact CB-CB 4.27Å; V152-L166 HydrophobicContact CB-CD1 4.31Å; V152-L166 HydrophobicContact CG1-CD1 4.11Å; V152-L166 PolarHBondContact N-O 3.45Å; V152-L166 VanDerWaalsContact N-O 3.14Å; V152-L166 PolarHBondContact O-N 3.13Å; V152-A168 HydrophobicContact CB-CB 3.8Å; V152-A168 HydrophobicContact CG2-CB 3.49Å; V152-A168 VanDerWaalsContact CG2-CB 3.49Å; V152-V173 HydrophobicContact CG2-CG1 3.93Å; V152-V173 HydrophobicContact CG2-CG2 4.23Å; V152-V176 HydrophobicContact CG1-CG1 4.21Å; V152-V176 HydrophobicContact CG2-CG1 3.83Å
153	R	98.9	Very high	98.9	Very high	39 Å²	39	39.7 Å²	39.7	15%	0.147	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145	177.4	-70.1	179.9	-179	-121.2	2.3	111.9	G126 V144 S145 W155 K164 T165	G126-R153 PolarHBondContact O-NH1 2.55Å; G126-R153 PolarHBondContact O-NH2 3.35Å; V144-R153 CarbonylContact C-O 3.59Å; V144-R153 VanDerWaalsContact CA-O 3.3Å; V144-R153 WeakPolarHBondContact CA-O 3.49Å; S145-R153 PolarHBondContact N-O 2.79Å; S145-R153 PolarHBondContact O-N 3.31Å; R153-W155 HydrophobicContact CB-CZ2 3.65Å; R153-W155 HydrophobicContact CG-CZ2 4.16Å; R153-K164 WeakPolarHBondContact CA-O 3.15Å; R153-T165 HydrophobicContact CG-CG2 4.11Å; R153-T165 PolarHBondContact NH1-OG1 3.49Å
154	I	98.9	Very high	98.8	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.3	174.8	-55.4	173.2	0	0	0	108	L142 I143 L163 K164 I185 T199	L142-I154 HydrophobicContact CB-CG2 4.46Å; L142-I154 HydrophobicContact CD1-CG2 4.24Å; L142-I154 HydrophobicContact CD2-CG2 4.23Å; I143-I154 CarbonylContact O-C 3.56Å; I143-I154 WeakPolarHBondContact O-CA 3.39Å; I154-L163 PolarHBondContact O-N 3.36Å; I154-K164 HydrophobicContact CB-CB 4.31Å; I154-K164 HydrophobicContact CD1-CB 4.39Å; I154-K164 HydrophobicContact CD1-CD 4.32Å; I154-K164 PolarHBondContact N-O 3.34Å; I154-K164 PolarHBondContact O-N 2.68Å; I154-I185 HydrophobicContact CD1-CD1 3.52Å; I154-I185 HydrophobicContact CG1-CD1 3.81Å; I154-T199 HydrophobicContact CD1-CG2 4.48Å
155	W	98.9	Very high	98.8	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.4	-172	-46.7	83	0	0	0	110.7	L110 L124 K125 H127 L142 I143 S145 R153 K161 C162	L110-W155 HydrophobicContact CD1-CZ2 3.95Å; L124-W155 HydrophobicContact CB-CD2 4.04Å; L124-W155 HydrophobicContact CB-CE3 3.73Å; L124-W155 HydrophobicContact CB-CH2 4.27Å; L124-W155 HydrophobicContact CB-CZ3 3.85Å; L124-W155 HydrophobicContact CD1-CB 3.87Å; L124-W155 HydrophobicContact CD1-CD2 3.97Å; L124-W155 HydrophobicContact CD1-CE3 4.31Å; L124-W155 HydrophobicContact CD1-CG 3.77Å; L124-W155 HydrophobicContact CG-CE3 4.4Å; K125-W155 WeakPolarHBondContact O-CZ3 3.46Å; H127-W155 AromaticContact CD2-CZ2 3.89Å; L142-W155 VanDerWaalsContact CA-O 3.28Å; L142-W155 WeakPolarHBondContact CA-O 3.49Å; I143-W155 HydrophobicContact CB-CB 4.26Å; I143-W155 PolarHBondContact N-O 3.01Å; I143-W155 PolarHBondContact O-N 2.88Å; S145-W155 PolarHBondContact OG-NE1 3.36Å; R153-W155 HydrophobicContact CB-CZ2 3.65Å; R153-W155 HydrophobicContact CG-CZ2 4.16Å; W155-K161 WeakPolarHBondContact CA-O 3.33Å; W155-C162 HydrophobicContact CD2-CB 4.36Å; W155-C162 HydrophobicContact CE3-CB 3.62Å; W155-C162 HydrophobicContact CH2-CB 4.18Å; W155-C162 HydrophobicContact CZ3-CB 3.52Å
156	D	98.9	Very high	98.8	Very high	36 Å²	36	46.2 Å²	46.2	19%	0.193	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.1	168.3	175	-97.4	0	0	0	109.9	K158 T159 G160 K161 L163	D156-K158 PolarHBondContact OD1-N 3.49Å; D156-T159 WeakPolarHBondContact CB-OG1 3.27Å; D156-T159 WeakPolarHBondContact OD1-CA 3.3Å; D156-T159 WeakPolarHBondContact OD1-CB 3.35Å; D156-T159 VanDerWaalsContact OD1-CG2 3.24Å; D156-T159 WeakPolarHBondContact OD1-CG2 3.45Å; D156-T159 PolarHBondContact OD1-N 3.14Å; D156-T159 PolarHBondContact OD1-OG1 2.69Å; D156-G160 WeakPolarHBondContact O-CA 3.31Å; D156-G160 PolarHBondContact O-N 2.69Å; D156-K161 PolarHBondContact N-O 2.87Å; D156-L163 HydrophobicContact CB-CD1 4.03Å; D156-L163 HydrophobicContact CB-CD2 3.97Å; D156-L163 HydrophobicContact CB-CG 3.98Å
157	V	98.8	Very high	98.8	Very high	17 Å²	17	51.7 Å²	51.7	10%	0.103	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-41.8	-174.6	169	0	0	0	0	111.7	L100 I112 F136 S140 N141 I143	L100-V157 HydrophobicContact CD1-CG1 4.16Å; I112-V157 HydrophobicContact CD1-CB 4.46Å; I112-V157 HydrophobicContact CD1-CG1 4.17Å; F136-V157 HydrophobicContact CD1-CG2 3.94Å; F136-V157 HydrophobicContact CE1-CG1 4.15Å; F136-V157 HydrophobicContact CE1-CG2 3.6Å; S140-V157 WeakPolarHBondContact O-CG2 3.1Å; N141-V157 VanDerWaalsContact C-CG2 3.44Å; N141-V157 WeakPolarHBondContact O-CB 3.27Å; N141-V157 WeakPolarHBondContact O-CG2 3.24Å; N141-V157 PolarHBondContact O-N 3.4Å; I143-V157 HydrophobicContact CD1-CG2 3.78Å; I143-V157 HydrophobicContact CG1-CG2 3.77Å
158	K	98.6	Very high	98.7	Very high	181 Å²	181	51.7 Å²	51.7	79%	0.787	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-45.8	-173.2	-174.8	175.7	-178	176.5	0	112	K122 D156	K122-K158 VanDerWaalsContact CE-O 3.25Å; K122-K158 WeakPolarHBondContact CE-O 3.06Å; D156-K158 PolarHBondContact OD1-N 3.49Å
159	T	98.6	Very high	98.7	Very high	72 Å²	72	49.4 Å²	49.4	44%	0.442	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-28.1	-177.8	65.6	0	0	0	0	112.1	D156 K161	D156-T159 WeakPolarHBondContact CB-OG1 3.27Å; D156-T159 WeakPolarHBondContact OD1-CA 3.3Å; D156-T159 WeakPolarHBondContact OD1-CB 3.35Å; D156-T159 VanDerWaalsContact OD1-CG2 3.24Å; D156-T159 WeakPolarHBondContact OD1-CG2 3.45Å; D156-T159 PolarHBondContact OD1-N 3.14Å; D156-T159 PolarHBondContact OD1-OG1 2.69Å; T159-K161 VanDerWaalsContact C-N 3.29Å; T159-K161 PolarHBondContact OG1-N 3.19Å
160	G	98.6	Very high	98.7	Very high	15 Å²	15	51.7 Å²	51.7	16%	0.155	28%	0.277	C	S	.	.			trans	74.8	16.6	-172.3	0	0	0	0	0	113.8	L124 D156	L124-G160 WeakPolarHBondContact CD2-O 3.34Å; D156-G160 WeakPolarHBondContact O-CA 3.31Å; D156-G160 PolarHBondContact O-N 2.69Å
161	K	98.7	Very high	98.7	Very high	147 Å²	147	51 Å²	51	64%	0.639	28%	0.276	S	S	*	.			trans	-90.3	145.7	-179.5	-67.5	-174.8	177.4	-177	0	111.5	W155 D156 T159 L163	W155-K161 WeakPolarHBondContact CA-O 3.33Å; D156-K161 PolarHBondContact N-O 2.87Å; T159-K161 VanDerWaalsContact C-N 3.29Å; T159-K161 PolarHBondContact OG1-N 3.19Å; K161-L163 PolarHBondContact O-N 2.8Å
162	C	98.8	Very high	98.7	Very high	45 Å²	45	51.6 Å²	51.6	30%	0.304	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	119.4	168.6	-164.9	0	0	0	0	108.8	W155 K164	W155-C162 HydrophobicContact CD2-CB 4.36Å; W155-C162 HydrophobicContact CE3-CB 3.62Å; W155-C162 HydrophobicContact CH2-CB 4.18Å; W155-C162 HydrophobicContact CZ3-CB 3.52Å; C162-K164 PolarHBondContact SG-O 3.12Å; C162-K164 VanDerWaalsContact SG-O 3.36Å
163	L	98.8	Very high	98.7	Very high	93 Å²	93	51.6 Å²	51.6	49%	0.487	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-40	176.1	-61.4	-177.6	0	0	0	111.6	L142 I154 D156 K161	L142-L163 HydrophobicContact CD2-CD1 3.63Å; I154-L163 PolarHBondContact O-N 3.36Å; D156-L163 HydrophobicContact CB-CD1 4.03Å; D156-L163 HydrophobicContact CB-CD2 3.97Å; D156-L163 HydrophobicContact CB-CG 3.98Å; K161-L163 PolarHBondContact O-N 2.8Å
164	K	98.8	Very high	98.7	Very high	57 Å²	57	50 Å²	50	25%	0.248	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	146.4	-178.3	-61.9	-169.4	177.9	75.5	0	111.3	R153 I154 C162 L166 T199 A200 S201	R153-K164 WeakPolarHBondContact CA-O 3.15Å; I154-K164 HydrophobicContact CB-CB 4.31Å; I154-K164 HydrophobicContact CD1-CB 4.39Å; I154-K164 HydrophobicContact CD1-CD 4.32Å; I154-K164 PolarHBondContact N-O 3.34Å; I154-K164 PolarHBondContact O-N 2.68Å; C162-K164 PolarHBondContact SG-O 3.12Å; C162-K164 VanDerWaalsContact SG-O 3.36Å; K164-L166 HydrophobicContact CB-CD2 4.15Å; K164-T199 PolarHBondContact NZ-O 2.93Å; K164-A200 WeakPolarHBondContact CE-O 3.24Å; K164-A200 PolarHBondContact NZ-O 3.24Å; K164-S201 WeakPolarHBondContact CE-O 3.46Å
165	T	98.8	Very high	98.7	Very high	71 Å²	71	50 Å²	50	44%	0.436	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.3	167.2	-55.6	0	0	0	0	107.2	R153	R153-T165 HydrophobicContact CG-CG2 4.11Å; R153-T165 PolarHBondContact NH1-OG1 3.49Å
166	L	98.7	Very high	98.7	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.047	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.4	-178.4	-46.2	-176.9	0	0	0	108	S151 V152 K164 A168 W197 G202	S151-L166 WeakPolarHBondContact CA-O 3.21Å; S151-L166 WeakPolarHBondContact CB-O 3.31Å; V152-L166 HydrophobicContact CB-CB 4.27Å; V152-L166 HydrophobicContact CB-CD1 4.31Å; V152-L166 HydrophobicContact CG1-CD1 4.11Å; V152-L166 PolarHBondContact N-O 3.45Å; V152-L166 VanDerWaalsContact N-O 3.14Å; V152-L166 PolarHBondContact O-N 3.13Å; K164-L166 HydrophobicContact CB-CD2 4.15Å; L166-A168 HydrophobicContact CB-CB 4.33Å; L166-A168 PolarHBondContact O-N 2.81Å; L166-W197 HydrophobicContact CB-CE3 4.48Å; L166-W197 HydrophobicContact CB-CZ3 4.33Å; L166-W197 HydrophobicContact CD1-CB 4.28Å; L166-W197 HydrophobicContact CD1-CD2 3.85Å; L166-W197 HydrophobicContact CD1-CE3 3.82Å; L166-W197 HydrophobicContact CD1-CG 4.05Å; L166-W197 HydrophobicContact CD1-CZ3 4.48Å; L166-G202 WeakPolarHBondContact CD2-O 3.38Å
167	P	98.1	Very high	98.7	Very high	116 Å²	116	50.5 Å²	50.5	75%	0.753	28%	0.276	S	S	*	.			trans	-71.7	76	168.7	30.7	-33	0	0	0	108.4
168	A	97.9	Very high	98.7	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.			trans	-81.8	-38.1	-156.3	0	0	0	0	0	112.7	V152 L166 R195 W197	V152-A168 HydrophobicContact CB-CB 3.8Å; V152-A168 HydrophobicContact CG2-CB 3.49Å; V152-A168 VanDerWaalsContact CG2-CB 3.49Å; L166-A168 HydrophobicContact CB-CB 4.33Å; L166-A168 PolarHBondContact O-N 2.81Å; A168-R195 WeakPolarHBondContact O-CD 3.5Å; A168-R195 PolarHBondContact O-NE 2.79Å; A168-R195 PolarHBondContact O-NH1 2.95Å; A168-W197 HydrophobicContact CB-CH2 4.07Å; A168-W197 HydrophobicContact CB-CZ2 3.61Å
169	H	98.8	Very high	98.7	Very high	15 Å²	15	42 Å²	42	7%	0.069	24%	0.238	C	C	.	.			trans	-144.9	174.3	-172.3	-72.1	-78.3	0	0	0	110.4	E150 D171 V173 S187 S189 D191 L193	E150-H169 PolarHBondContact O-N 3.11Å; E150-H169 VanDerWaalsContact O-N 3.11Å; H169-D171 WeakPolarHBondContact CB-O 3.21Å; H169-V173 HydrophobicContact CB-CG2 4.36Å; H169-S187 PolarHBondContact NE2-OG 3.4Å; H169-S189 WeakPolarHBondContact ND1-CB 3.48Å; H169-D191 WeakPolarHBondContact CA-OD2 3.35Å; H169-D191 VanDerWaalsContact CB-OD2 3.23Å; H169-D191 WeakPolarHBondContact CB-OD2 3.44Å; H169-D191 IonicContact CE1-OD1 2.8Å; H169-D191 IonicContact CG-OD2 3.99Å; H169-D191 IonicContact ND1-OD1 3.72Å; H169-D191 PolarHBondContact ND1-OD1 3.16Å; H169-D191 IonicContact ND1-OD2 3.31Å; H169-D191 PolarHBondContact ND1-OD2 2.98Å; H169-L193 PolarHBondContact CE1-O 3.14Å
170	S	98.5	Very high	98.7	Very high	75 Å²	75	47.5 Å²	47.5	52%	0.524	25%	0.251	S	S	.	.	S	Bend	trans	-110.7	9.3	174.1	58	0	0	0	0	113.7	D191	S170-D191 PolarHBondContact N-OD2 2.72Å; S170-D191 WeakPolarHBondContact OG-CB 3.37Å
171	D	98.8	Very high	98.7	Very high	71 Å²	71	51.2 Å²	51.2	38%	0.38	27%	0.268	S	S	.	.	S	Bend	trans	-150.6	166.7	176.9	-86	-54.5	0	0	0	108.5	H169 V173 S189 D191	H169-D171 WeakPolarHBondContact CB-O 3.21Å; D171-V173 PolarHBondContact O-N 3.03Å; D171-S189 PolarHBondContact O-OG 3.38Å; D171-D191 HydrophobicContact CB-CB 4Å
172	P	98.9	Very high	98.7	Very high	22 Å²	22	44.6 Å²	44.6	14%	0.143	24%	0.241	C	C	.	.			trans	-51.3	134.5	-175.1	-28.6	34.5	0	0	0	114	F148 S174 S189 Y190	F148-P172 HydrophobicContact CB-CB 4.37Å; F148-P172 HydrophobicContact CD1-CB 3.79Å; F148-P172 HydrophobicContact CD1-CG 3.53Å; F148-P172 HydrophobicContact CD2-CB 3.99Å; F148-P172 HydrophobicContact CE1-CB 3.99Å; F148-P172 HydrophobicContact CE1-CG 3.79Å; F148-P172 HydrophobicContact CE2-CB 4.16Å; F148-P172 HydrophobicContact CG-CB 3.79Å; F148-P172 HydrophobicContact CG-CG 4Å; F148-P172 HydrophobicContact CZ-CB 4.17Å; F148-P172 HydrophobicContact CZ-CG 4.44Å; P172-S174 PolarHBondContact O-N 3.38Å; P172-S189 WeakPolarHBondContact O-CA 3.37Å; P172-S189 WeakPolarHBondContact O-CB 3.46Å; P172-S189 PolarHBondContact O-OG 2.84Å; P172-Y190 HydrophobicContact CB-CD2 3.81Å; P172-Y190 HydrophobicContact CB-CE2 4.13Å; P172-Y190 HydrophobicContact CG-CD2 4.17Å; P172-Y190 PolarHBondContact O-N 3.3Å
173	V	98.9	Very high	98.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	117.4	179.4	-173.6	0	0	0	0	109.7	S147 V152 H169 D171 V176 S188	S147-V173 PolarHBondContact O-N 3.34Å; V152-V173 HydrophobicContact CG2-CG1 3.93Å; V152-V173 HydrophobicContact CG2-CG2 4.23Å; H169-V173 HydrophobicContact CB-CG2 4.36Å; D171-V173 PolarHBondContact O-N 3.03Å; V173-V176 HydrophobicContact CG1-CG1 3.95Å; V173-S188 CarbonylContact C-O 3.54Å; V173-S188 WeakPolarHBondContact CA-O 3.45Å; V173-S188 WeakPolarHBondContact CG1-O 3.35Å
174	S	98.9	Very high	98.7	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.028	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-32.4	-172.5	59.9	0	0	0	0	113.6	F132 P172 S188 V216 S217	F132-S174 VanDerWaalsContact CD1-O 3.29Å; F132-S174 WeakPolarHBondContact CD1-O 3.04Å; F132-S174 WeakPolarHBondContact CE1-O 3.38Å; P172-S174 PolarHBondContact O-N 3.38Å; S174-S188 PolarHBondContact N-O 3.11Å; S174-S188 VanDerWaalsContact OG-C 3.27Å; S174-S188 WeakPolarHBondContact OG-CB 3.29Å; S174-S188 PolarHBondContact OG-O 2.81Å; S174-S188 PolarHBondContact OG-OG 3.3Å; S174-V216 WeakPolarHBondContact CB-O 3.32Å; S174-V216 PolarHBondContact OG-O 2.87Å; S174-S217 WeakPolarHBondContact CB-O 3.42Å
175	A	98.9	Very high	98.7	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.033	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	153.4	175.1	0	0	0	0	0	112.3	C133 S187 S188 F218 V219	C133-A175 VanDerWaalsContact SG-C 3.59Å; C133-A175 WeakPolarHBondContact SG-CA 3.46Å; A175-S187 VanDerWaalsContact O-CA 3.25Å; A175-S187 WeakPolarHBondContact O-CA 3.11Å; A175-S188 PolarHBondContact N-OG 2.95Å; A175-S188 PolarHBondContact O-N 2.89Å; A175-F218 HydrophobicContact CB-CD2 3.91Å; A175-F218 HydrophobicContact CB-CE2 4.34Å; A175-V219 HydrophobicContact CB-CG1 4.12Å
176	V	98.9	Very high	98.7	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.6	171.6	-67.7	0	0	0	0	109.9	C133 V144 V152 V173 V186	C133-V176 HydrophobicContact CB-CG2 4.25Å; V144-V176 HydrophobicContact CB-CG2 4.46Å; V144-V176 HydrophobicContact CG1-CB 4Å; V144-V176 HydrophobicContact CG1-CG2 3.78Å; V144-V176 HydrophobicContact CG2-CB 3.97Å; V144-V176 HydrophobicContact CG2-CG1 4.24Å; V144-V176 HydrophobicContact CG2-CG2 4.17Å; V152-V176 HydrophobicContact CG1-CG1 4.21Å; V152-V176 HydrophobicContact CG2-CG1 3.83Å; V173-V176 HydrophobicContact CG1-CG1 3.95Å; V176-V186 CarbonylContact C-O 3.56Å; V176-V186 WeakPolarHBondContact CA-O 3.33Å
177	H	98.9	Very high	98.7	Very high	39 Å²	39	34.9 Å²	34.9	18%	0.181	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	135.4	-179.6	-163.4	-96	0	0	0	112.1	N135 I185 V186 K220 F221	N135-H177 PolarHBondContact ND2-CD2 3.12Å; H177-I185 CarbonylContact O-C 3.57Å; H177-I185 WeakPolarHBondContact O-CA 3.44Å; H177-V186 HydrophobicContact CB-CG1 3.93Å; H177-V186 PolarHBondContact N-O 3.14Å; H177-V186 PolarHBondContact O-N 2.75Å; H177-K220 HydrophobicContact CB-CB 4.19Å; H177-F221 PolarHBondContact ND1-N 3.17Å
178	F	98.9	Very high	98.7	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	151.3	170.3	-77.2	-79.9	0	0	0	111.5	F136 N137 L142 V144 L184 I185 T199	F136-F178 WeakPolarHBondContact O-CD2 3.46Å; N137-F178 VanDerWaalsContact CA-CD2 3.42Å; N137-F178 HydrophobicContact CB-CB 4.49Å; N137-F178 HydrophobicContact CB-CD1 3.85Å; N137-F178 HydrophobicContact CB-CD2 3.69Å; N137-F178 HydrophobicContact CB-CE1 3.88Å; N137-F178 HydrophobicContact CB-CE2 3.7Å; N137-F178 HydrophobicContact CB-CG 3.75Å; N137-F178 HydrophobicContact CB-CZ 3.81Å; L142-F178 HydrophobicContact CB-CZ 4.2Å; V144-F178 HydrophobicContact CB-CD2 4.31Å; V144-F178 HydrophobicContact CB-CE2 3.52Å; V144-F178 HydrophobicContact CB-CZ 3.82Å; V144-F178 HydrophobicContact CG1-CD2 3.64Å; V144-F178 HydrophobicContact CG1-CE2 3.33Å; V144-F178 HydrophobicContact CG1-CZ 4.08Å; F178-L184 CarbonylContact C-O 3.53Å; F178-L184 VanDerWaalsContact CA-O 3.32Å; F178-L184 WeakPolarHBondContact CA-O 3.48Å; F178-I185 HydrophobicContact CD1-CD1 4.34Å; F178-I185 HydrophobicContact CD1-CG1 3.55Å; F178-I185 HydrophobicContact CE1-CD1 3.6Å; F178-I185 HydrophobicContact CE1-CG1 3.33Å; F178-I185 HydrophobicContact CG-CG1 4.28Å; F178-I185 HydrophobicContact CZ-CD1 3.89Å; F178-I185 HydrophobicContact CZ-CG1 3.91Å; F178-T199 HydrophobicContact CE1-CG2 3.75Å
179	N	98.8	Very high	98.8	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.064	15%	0.154	C	C	.	.			trans	-77	-179.6	164.6	76.7	-28.2	0	0	0	111	P138 D181 G182 S183 L184 F221	P138-N179 WeakPolarHBondContact CG-O 3.26Å; N179-D181 VanDerWaalsContact C-N 3.33Å; N179-D181 VanDerWaalsContact CG-OD1 3.26Å; N179-D181 PolarHBondContact ND2-OD1 3.28Å; N179-D181 PolarHBondContact O-N 3.46Å; N179-D181 PolarHBondContact OD1-OD1 3.34Å; N179-G182 PolarHBondContact O-N 2.84Å; N179-G182 WeakPolarHBondContact OD1-CA 3.23Å; N179-G182 PolarHBondContact OD1-N 2.89Å; N179-S183 PolarHBondContact ND2-OG 3.35Å; N179-S183 PolarHBondContact OD1-N 3.04Å; N179-L184 HydrophobicContact CB-CB 4.06Å; N179-L184 PolarHBondContact N-O 3.44Å; N179-L184 PolarHBondContact OD1-N 2.86Å; N179-L184 PolarHBondContact OD1-O 2.79Å; N179-F221 HydrophobicContact CB-CD1 4.19Å; N179-F221 HydrophobicContact CB-CD2 3.72Å; N179-F221 HydrophobicContact CB-CE1 4.27Å; N179-F221 HydrophobicContact CB-CE2 3.77Å; N179-F221 HydrophobicContact CB-CG 3.93Å; N179-F221 HydrophobicContact CB-CZ 4.07Å
180	R	97.9	Very high	98.8	Very high	189 Å²	189	31.5 Å²	31.5	71%	0.713	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.8	-171.5	-177.2	178.9	178.5	-172.8	1	115.1	P138	P138-R180 WeakPolarHBondContact CB-O 3.32Å; P138-R180 WeakPolarHBondContact CG-O 3.38Å
181	D	98.2	Very high	98.8	Very high	93 Å²	93	28.7 Å²	28.7	50%	0.497	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-6.1	179.2	61.1	17.9	0	0	0	113.1	Q139 N179 S183	Q139-D181 PolarHBondContact NE2-O 3.45Å; Q139-D181 PolarHBondContact OE1-O 3.36Å; N179-D181 VanDerWaalsContact C-N 3.33Å; N179-D181 VanDerWaalsContact CG-OD1 3.26Å; N179-D181 PolarHBondContact ND2-OD1 3.28Å; N179-D181 PolarHBondContact O-N 3.46Å; N179-D181 PolarHBondContact OD1-OD1 3.34Å; D181-S183 VanDerWaalsContact C-N 3.29Å; D181-S183 VanDerWaalsContact OD1-CB 3.26Å; D181-S183 WeakPolarHBondContact OD1-CB 3.39Å; D181-S183 PolarHBondContact OD1-N 3.04Å; D181-S183 PolarHBondContact OD1-OG 3.36Å; D181-S183 PolarHBondContact OD2-OG 2.83Å
182	G	98.6	Very high	98.7	Very high	7 Å²	7	25.5 Å²	25.5	7%	0.072	13%	0.125	C	C	.	.	S	Bend	trans	79.3	5.7	-179	0	0	0	0	0	114.3	N179 T199	N179-G182 PolarHBondContact O-N 2.84Å; N179-G182 WeakPolarHBondContact OD1-CA 3.23Å; N179-G182 PolarHBondContact OD1-N 2.89Å; G182-T199 WeakPolarHBondContact O-CB 3.5Å; G182-T199 PolarHBondContact O-OG1 2.89Å; G182-T199 VanDerWaalsContact O-OG1 3.06Å
183	S	98.6	Very high	98.7	Very high	48 Å²	48	25.6 Å²	25.6	34%	0.336	12%	0.124	S	C	.	.	S	Bend	trans	-72.9	-30.3	176.9	61.4	0	0	0	0	112.4	N179 D181 T199	N179-S183 PolarHBondContact ND2-OG 3.35Å; N179-S183 PolarHBondContact OD1-N 3.04Å; D181-S183 VanDerWaalsContact C-N 3.29Å; D181-S183 VanDerWaalsContact OD1-CB 3.26Å; D181-S183 WeakPolarHBondContact OD1-CB 3.39Å; D181-S183 PolarHBondContact OD1-N 3.04Å; D181-S183 PolarHBondContact OD1-OG 3.36Å; D181-S183 PolarHBondContact OD2-OG 2.83Å; S183-T199 VanDerWaalsContact C-OG1 3.3Å; S183-T199 VanDerWaalsContact O-CB 3.27Å; S183-T199 WeakPolarHBondContact O-CB 3.44Å; S183-T199 PolarHBondContact O-N 3.22Å; S183-T199 PolarHBondContact O-OG1 2.59Å
184	L	98.9	Very high	98.7	Very high	23 Å²	23	26 Å²	26	12%	0.12	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145	-177.3	-56.6	-179.9	0	0	0	112.2	F178 N179 I196 W197 L205 F221 Y242	F178-L184 CarbonylContact C-O 3.53Å; F178-L184 VanDerWaalsContact CA-O 3.32Å; F178-L184 WeakPolarHBondContact CA-O 3.48Å; N179-L184 HydrophobicContact CB-CB 4.06Å; N179-L184 PolarHBondContact N-O 3.44Å; N179-L184 PolarHBondContact OD1-N 2.86Å; N179-L184 PolarHBondContact OD1-O 2.79Å; L184-I196 HydrophobicContact CB-CG2 4.37Å; L184-I196 HydrophobicContact CD1-CG2 4.23Å; L184-I196 HydrophobicContact CD2-CG2 4.25Å; L184-W197 WeakPolarHBondContact CA-O 3.14Å; L184-L205 HydrophobicContact CD2-CD1 3.48Å; L184-L205 VanDerWaalsContact CD2-CD1 3.48Å; L184-F221 HydrophobicContact CB-CE2 4.26Å; L184-F221 HydrophobicContact CB-CZ 3.94Å; L184-F221 HydrophobicContact CD1-CZ 4.41Å; L184-Y242 HydrophobicContact CD1-CE2 4.13Å
185	I	98.9	Very high	98.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.5	164.7	-67.3	158.5	0	0	0	107.7	V144 I154 H177 F178 I196 W197 T199	V144-I185 HydrophobicContact CB-CD1 4.3Å; V144-I185 HydrophobicContact CG2-CD1 3.93Å; V144-I185 HydrophobicContact CG2-CG1 4.35Å; V144-I185 HydrophobicContact CG2-CG2 3.96Å; I154-I185 HydrophobicContact CD1-CD1 3.52Å; I154-I185 HydrophobicContact CG1-CD1 3.81Å; H177-I185 CarbonylContact O-C 3.57Å; H177-I185 WeakPolarHBondContact O-CA 3.44Å; F178-I185 HydrophobicContact CD1-CD1 4.34Å; F178-I185 HydrophobicContact CD1-CG1 3.55Å; F178-I185 HydrophobicContact CE1-CD1 3.6Å; F178-I185 HydrophobicContact CE1-CG1 3.33Å; F178-I185 HydrophobicContact CG-CG1 4.28Å; F178-I185 HydrophobicContact CZ-CD1 3.89Å; F178-I185 HydrophobicContact CZ-CG1 3.91Å; I185-I196 CarbonylContact O-C 3.57Å; I185-I196 WeakPolarHBondContact O-CA 3.5Å; I185-W197 HydrophobicContact CB-CB 4.24Å; I185-W197 PolarHBondContact N-O 2.89Å; I185-W197 PolarHBondContact O-N 2.85Å; I185-T199 HydrophobicContact CD1-CG2 4.39Å
186	V	98.9	Very high	98.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.5	162.9	64.1	0	0	0	0	108.8	V176 H177 R195 I196 V219 F221 I228	V176-V186 CarbonylContact C-O 3.56Å; V176-V186 WeakPolarHBondContact CA-O 3.33Å; H177-V186 HydrophobicContact CB-CG1 3.93Å; H177-V186 PolarHBondContact N-O 3.14Å; H177-V186 PolarHBondContact O-N 2.75Å; V186-R195 CarbonylContact C-O 3.5Å; V186-R195 VanDerWaalsContact CA-O 3.3Å; V186-R195 WeakPolarHBondContact CA-O 3.46Å; V186-I196 HydrophobicContact CB-CG1 4.49Å; V186-I196 HydrophobicContact CG2-CG1 4.25Å; V186-V219 HydrophobicContact CG1-CG1 4.11Å; V186-V219 HydrophobicContact CG1-CG2 4.19Å; V186-V219 HydrophobicContact CG2-CB 4.47Å; V186-V219 HydrophobicContact CG2-CG1 3.93Å; V186-V219 HydrophobicContact CG2-CG2 3.64Å; V186-F221 HydrophobicContact CB-CD2 4.15Å; V186-F221 HydrophobicContact CB-CE2 3.56Å; V186-F221 HydrophobicContact CB-CZ 3.82Å; V186-F221 HydrophobicContact CG1-CD2 3.55Å; V186-F221 HydrophobicContact CG1-CE2 3.48Å; V186-F221 VanDerWaalsContact CG1-CE2 3.48Å; V186-F221 HydrophobicContact CG1-CG 4.28Å; V186-F221 HydrophobicContact CG1-CZ 4.14Å; V186-I228 HydrophobicContact CG2-CD1 4.3Å; V186-I228 HydrophobicContact CG2-CG2 4.28Å
187	S	98.9	Very high	98.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151	172.1	64.8	0	0	0	0	111.2	H169 A175 C194 R195 W197	H169-S187 PolarHBondContact NE2-OG 3.4Å; A175-S187 VanDerWaalsContact O-CA 3.25Å; A175-S187 WeakPolarHBondContact O-CA 3.11Å; S187-C194 CarbonylContact O-C 3.5Å; S187-C194 VanDerWaalsContact O-CA 3.27Å; S187-C194 WeakPolarHBondContact O-CA 3.39Å; S187-R195 PolarHBondContact N-O 2.89Å; S187-R195 PolarHBondContact O-N 3.25Å; S187-W197 PolarHBondContact OG-NE1 3.47Å
188	S	98.9	Very high	98.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	158.6	171.6	57.9	0	0	0	0	111.4	V173 S174 A175 L193 V219	V173-S188 CarbonylContact C-O 3.54Å; V173-S188 WeakPolarHBondContact CA-O 3.45Å; V173-S188 WeakPolarHBondContact CG1-O 3.35Å; S174-S188 PolarHBondContact N-O 3.11Å; S174-S188 VanDerWaalsContact OG-C 3.27Å; S174-S188 WeakPolarHBondContact OG-CB 3.29Å; S174-S188 PolarHBondContact OG-O 2.81Å; S174-S188 PolarHBondContact OG-OG 3.3Å; A175-S188 PolarHBondContact N-OG 2.95Å; A175-S188 PolarHBondContact O-N 2.89Å; S188-L193 WeakPolarHBondContact CA-O 3.18Å; S188-V219 WeakPolarHBondContact OG-CG1 3.35Å
189	S	98.9	Very high	98.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	164.3	179	167.7	0	0	0	0	111.9	H169 D171 P172 D191 G192 L193 V216	H169-S189 WeakPolarHBondContact ND1-CB 3.48Å; D171-S189 PolarHBondContact O-OG 3.38Å; P172-S189 WeakPolarHBondContact O-CA 3.37Å; P172-S189 WeakPolarHBondContact O-CB 3.46Å; P172-S189 PolarHBondContact O-OG 2.84Å; S189-D191 VanDerWaalsContact CB-OD1 3.31Å; S189-D191 WeakPolarHBondContact CB-OD1 3.46Å; S189-D191 PolarHBondContact O-N 2.93Å; S189-D191 PolarHBondContact OG-N 3.41Å; S189-D191 VanDerWaalsContact OG-N 3.1Å; S189-G192 PolarHBondContact O-N 2.87Å; S189-L193 PolarHBondContact N-O 3.06Å; S189-V216 CarbonylContact C-O 3.57Å; S189-V216 PolarHBondContact O-N 3.07Å
190	Y	98.7	Very high	98.6	Very high	61 Å²	61	32.1 Å²	32.1	24%	0.239	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.6	168.4	-62.1	-63.1	0	0	0	113.8	P172 G192 P215 L233 C260	P172-Y190 HydrophobicContact CB-CD2 3.81Å; P172-Y190 HydrophobicContact CB-CE2 4.13Å; P172-Y190 HydrophobicContact CG-CD2 4.17Å; P172-Y190 PolarHBondContact O-N 3.3Å; Y190-G192 PolarHBondContact O-N 2.77Å; Y190-G192 VanDerWaalsContact O-N 3.1Å; Y190-P215 HydrophobicContact CD1-CB 3.73Å; Y190-P215 HydrophobicContact CG-CB 4.43Å; Y190-L233 HydrophobicContact CD1-CD1 4.2Å; Y190-L233 HydrophobicContact CE1-CD1 3.88Å; Y190-C260 PolarHBondContact OH-SG 3.12Å
191	D	98.4	Very high	98.6	Very high	15 Å²	15	26 Å²	26	8%	0.08	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-3.2	169.4	69.1	8.9	0	0	0	113.3	H169 S170 D171 S189 L193 N213	H169-D191 WeakPolarHBondContact CA-OD2 3.35Å; H169-D191 VanDerWaalsContact CB-OD2 3.23Å; H169-D191 WeakPolarHBondContact CB-OD2 3.44Å; H169-D191 IonicContact CE1-OD1 2.8Å; H169-D191 IonicContact CG-OD2 3.99Å; H169-D191 IonicContact ND1-OD1 3.72Å; H169-D191 PolarHBondContact ND1-OD1 3.16Å; H169-D191 IonicContact ND1-OD2 3.31Å; H169-D191 PolarHBondContact ND1-OD2 2.98Å; S170-D191 PolarHBondContact N-OD2 2.72Å; S170-D191 WeakPolarHBondContact OG-CB 3.37Å; D171-D191 HydrophobicContact CB-CB 4Å; S189-D191 VanDerWaalsContact CB-OD1 3.31Å; S189-D191 WeakPolarHBondContact CB-OD1 3.46Å; S189-D191 PolarHBondContact O-N 2.93Å; S189-D191 PolarHBondContact OG-N 3.41Å; S189-D191 VanDerWaalsContact OG-N 3.1Å; D191-L193 VanDerWaalsContact C-N 3.32Å; D191-L193 VanDerWaalsContact OD1-CB 3.24Å; D191-L193 WeakPolarHBondContact OD1-CB 3.44Å; D191-L193 WeakPolarHBondContact OD1-CG 3.38Å; D191-L193 PolarHBondContact OD1-N 3.18Å; D191-N213 PolarHBondContact O-ND2 2.97Å
192	G	98.1	Very high	98.6	Very high	5 Å²	5	22 Å²	22	5%	0.052	13%	0.133	C	C	.	.	S	Bend	trans	85.6	-1.5	178.4	0	0	0	0	0	114.2	S189 Y190 N213 P214 V216	S189-G192 PolarHBondContact O-N 2.87Å; Y190-G192 PolarHBondContact O-N 2.77Å; Y190-G192 VanDerWaalsContact O-N 3.1Å; G192-N213 VanDerWaalsContact CA-OD1 3.27Å; G192-N213 WeakPolarHBondContact CA-OD1 3.34Å; G192-N213 PolarHBondContact O-OD1 2.73Å; G192-P214 WeakPolarHBondContact CA-O 3.19Å; G192-V216 WeakPolarHBondContact O-CG2 3.41Å
193	L	98.3	Very high	98.6	Very high	23 Å²	23	27.6 Å²	27.6	12%	0.12	16%	0.158	C	C	.	.			trans	-96.8	145	-174	-52.5	179.6	0	0	0	112.5	H169 S188 S189 D191 T207 I209	H169-L193 PolarHBondContact CE1-O 3.14Å; S188-L193 WeakPolarHBondContact CA-O 3.18Å; S189-L193 PolarHBondContact N-O 3.06Å; D191-L193 VanDerWaalsContact C-N 3.32Å; D191-L193 VanDerWaalsContact OD1-CB 3.24Å; D191-L193 WeakPolarHBondContact OD1-CB 3.44Å; D191-L193 WeakPolarHBondContact OD1-CG 3.38Å; D191-L193 PolarHBondContact OD1-N 3.18Å; L193-T207 HydrophobicContact CB-CG2 4.3Å; L193-T207 HydrophobicContact CD1-CG2 4.07Å; L193-T207 HydrophobicContact CD2-CG2 4.05Å; L193-T207 HydrophobicContact CG-CG2 4.38Å; L193-I209 HydrophobicContact CD2-CB 4.08Å; L193-I209 HydrophobicContact CD2-CD1 3.9Å; L193-I209 HydrophobicContact CD2-CG1 4.09Å
194	C	98.6	Very high	98.6	Very high	8 Å²	8	27.8 Å²	27.8	5%	0.054	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127	156.6	-73.3	0	0	0	0	109.3	S187 L208 I228	S187-C194 CarbonylContact O-C 3.5Å; S187-C194 VanDerWaalsContact O-CA 3.27Å; S187-C194 WeakPolarHBondContact O-CA 3.39Å; C194-L208 HydrophobicContact CB-CB 4.09Å; C194-L208 PolarHBondContact N-O 2.87Å; C194-L208 VanDerWaalsContact N-O 3.07Å; C194-L208 PolarHBondContact O-N 2.93Å; C194-I228 HydrophobicContact CB-CD1 4.27Å
195	R	98.8	Very high	98.6	Very high	58 Å²	58	31.4 Å²	31.4	22%	0.219	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143	176.8	-70.6	178.6	-177.1	-171.8	1.7	111.5	A168 V186 S187 W197 K206 T207	A168-R195 WeakPolarHBondContact O-CD 3.5Å; A168-R195 PolarHBondContact O-NE 2.79Å; A168-R195 PolarHBondContact O-NH1 2.95Å; V186-R195 CarbonylContact C-O 3.5Å; V186-R195 VanDerWaalsContact CA-O 3.3Å; V186-R195 WeakPolarHBondContact CA-O 3.46Å; S187-R195 PolarHBondContact N-O 2.89Å; S187-R195 PolarHBondContact O-N 3.25Å; R195-W197 HydrophobicContact CB-CZ2 3.63Å; R195-W197 VanDerWaalsContact CD-CZ2 3.47Å; R195-W197 HydrophobicContact CG-CZ2 4.2Å; R195-K206 CarbonylContact C-O 3.45Å; R195-K206 WeakPolarHBondContact CA-O 3.5Å; R195-T207 HydrophobicContact CG-CG2 4.18Å
196	I	98.8	Very high	98.5	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.4	175.7	-61.4	-178.7	0	0	0	108.5	L184 I185 V186 L205 K206 L208 Y242	L184-I196 HydrophobicContact CB-CG2 4.37Å; L184-I196 HydrophobicContact CD1-CG2 4.23Å; L184-I196 HydrophobicContact CD2-CG2 4.25Å; I185-I196 CarbonylContact O-C 3.57Å; I185-I196 WeakPolarHBondContact O-CA 3.5Å; V186-I196 HydrophobicContact CB-CG1 4.49Å; V186-I196 HydrophobicContact CG2-CG1 4.25Å; I196-L205 PolarHBondContact O-N 3.35Å; I196-K206 HydrophobicContact CB-CB 4.34Å; I196-K206 PolarHBondContact N-O 2.95Å; I196-K206 PolarHBondContact O-N 3.17Å; I196-L208 HydrophobicContact CD1-CD1 4.48Å; I196-Y242 VanDerWaalsContact CD1-CB 3.42Å; I196-Y242 HydrophobicContact CD1-CD1 4.42Å; I196-Y242 HydrophobicContact CD1-CD2 3.25Å; I196-Y242 HydrophobicContact CD1-CE2 4.1Å; I196-Y242 HydrophobicContact CD1-CG 3.45Å; I196-Y242 VanDerWaalsContact CD1-CG 3.45Å
197	W	98.9	Very high	98.4	Very high	10 Å²	10	37.8 Å²	37.8	4%	0.038	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.6	-173.9	-48	85.4	0	0	0	110.2	L166 A168 L184 I185 S187 R195 Q203 C204	L166-W197 HydrophobicContact CB-CE3 4.48Å; L166-W197 HydrophobicContact CB-CZ3 4.33Å; L166-W197 HydrophobicContact CD1-CB 4.28Å; L166-W197 HydrophobicContact CD1-CD2 3.85Å; L166-W197 HydrophobicContact CD1-CE3 3.82Å; L166-W197 HydrophobicContact CD1-CG 4.05Å; L166-W197 HydrophobicContact CD1-CZ3 4.48Å; A168-W197 HydrophobicContact CB-CH2 4.07Å; A168-W197 HydrophobicContact CB-CZ2 3.61Å; L184-W197 WeakPolarHBondContact CA-O 3.14Å; I185-W197 HydrophobicContact CB-CB 4.24Å; I185-W197 PolarHBondContact N-O 2.89Å; I185-W197 PolarHBondContact O-N 2.85Å; S187-W197 PolarHBondContact OG-NE1 3.47Å; R195-W197 HydrophobicContact CB-CZ2 3.63Å; R195-W197 VanDerWaalsContact CD-CZ2 3.47Å; R195-W197 HydrophobicContact CG-CZ2 4.2Å; W197-Q203 WeakPolarHBondContact CA-O 3.12Å; W197-C204 HydrophobicContact CE3-CB 3.81Å; W197-C204 HydrophobicContact CH2-CB 4.1Å; W197-C204 HydrophobicContact CZ3-CB 3.58Å
198	D	98.8	Very high	98.2	Very high	39 Å²	39	38.4 Å²	38.4	21%	0.209	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.8	164.6	175.3	-105.4	0	0	0	109.5	A200 S201 G202 Q203 L205	D198-A200 PolarHBondContact O-N 3.23Å; D198-A200 PolarHBondContact OD1-N 2.73Å; D198-S201 WeakPolarHBondContact CB-OG 3.38Å; D198-S201 WeakPolarHBondContact OD1-CA 3.32Å; D198-S201 WeakPolarHBondContact OD1-CB 3.45Å; D198-S201 PolarHBondContact OD1-N 3.28Å; D198-S201 PolarHBondContact OD1-OG 3.49Å; D198-G202 WeakPolarHBondContact O-CA 3.27Å; D198-G202 PolarHBondContact O-N 3.37Å; D198-Q203 PolarHBondContact N-O 3.31Å; D198-L205 HydrophobicContact CB-CD1 4.01Å; D198-L205 HydrophobicContact CB-CD2 4.06Å; D198-L205 HydrophobicContact CB-CG 4.02Å
199	T	98.8	Very high	97.8	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.067	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-37.5	-175	-60.3	0	0	0	0	111.9	L142 I154 K164 F178 G182 S183 I185	L142-T199 HydrophobicContact CD1-CG2 3.7Å; I154-T199 HydrophobicContact CD1-CG2 4.48Å; K164-T199 PolarHBondContact NZ-O 2.93Å; F178-T199 HydrophobicContact CE1-CG2 3.75Å; G182-T199 WeakPolarHBondContact O-CB 3.5Å; G182-T199 PolarHBondContact O-OG1 2.89Å; G182-T199 VanDerWaalsContact O-OG1 3.06Å; S183-T199 VanDerWaalsContact C-OG1 3.3Å; S183-T199 VanDerWaalsContact O-CB 3.27Å; S183-T199 WeakPolarHBondContact O-CB 3.44Å; S183-T199 PolarHBondContact O-N 3.22Å; S183-T199 PolarHBondContact O-OG1 2.59Å; I185-T199 HydrophobicContact CD1-CG2 4.39Å
200	A	98.4	Very high	97	Very high	81 Å²	81	45.2 Å²	45.2	67%	0.669	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-43.5	-173.9	0	0	0	0	0	112	K164 D198	K164-A200 WeakPolarHBondContact CE-O 3.24Å; K164-A200 PolarHBondContact NZ-O 3.24Å; D198-A200 PolarHBondContact O-N 3.23Å; D198-A200 PolarHBondContact OD1-N 2.73Å
201	S	98.3	Very high	96	Very high	59 Å²	59	49.9 Å²	49.9	41%	0.413	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-26.1	-177.6	67.2	0	0	0	0	113.6	K164 D198 Q203	K164-S201 WeakPolarHBondContact CE-O 3.46Å; D198-S201 WeakPolarHBondContact CB-OG 3.38Å; D198-S201 WeakPolarHBondContact OD1-CA 3.32Å; D198-S201 WeakPolarHBondContact OD1-CB 3.45Å; D198-S201 PolarHBondContact OD1-N 3.28Å; D198-S201 PolarHBondContact OD1-OG 3.49Å; S201-Q203 VanDerWaalsContact C-N 3.26Å; S201-Q203 WeakPolarHBondContact OG-CG 3.36Å; S201-Q203 PolarHBondContact OG-N 3.3Å
202	G	98.1	Very high	95.2	Very high	9 Å²	9	56.2 Å²	56.2	9%	0.093	31%	0.313	C	S	.	.			trans	77.2	7.9	-171.5	0	0	0	0	0	114.1	L166 D198	L166-G202 WeakPolarHBondContact CD2-O 3.38Å; D198-G202 WeakPolarHBondContact O-CA 3.27Å; D198-G202 PolarHBondContact O-N 3.37Å
203	Q	98.3	Very high	94.8	Very high	126 Å²	126	58.6 Å²	58.6	59%	0.589	32%	0.324	S	S	*	.			trans	-75.6	142.8	-180	-64.7	-61.1	-45.8	0	0	111.4	W197 D198 S201 L205	W197-Q203 WeakPolarHBondContact CA-O 3.12Å; D198-Q203 PolarHBondContact N-O 3.31Å; S201-Q203 VanDerWaalsContact C-N 3.26Å; S201-Q203 WeakPolarHBondContact OG-CG 3.36Å; S201-Q203 PolarHBondContact OG-N 3.3Å; Q203-L205 PolarHBondContact O-N 3.02Å
204	C	98.4	Very high	94.7	Very high	51 Å²	51	58.4 Å²	58.4	35%	0.345	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	116.7	170.4	-171.7	0	0	0	0	109	W197	W197-C204 HydrophobicContact CE3-CB 3.81Å; W197-C204 HydrophobicContact CH2-CB 4.1Å; W197-C204 HydrophobicContact CZ3-CB 3.58Å
205	L	98	Very high	94.7	Very high	99 Å²	99	60.3 Å²	60.3	52%	0.518	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-31.9	177.3	-61	-177.5	0	0	0	112.2	L184 I196 D198 Q203	L184-L205 HydrophobicContact CD2-CD1 3.48Å; L184-L205 VanDerWaalsContact CD2-CD1 3.48Å; I196-L205 PolarHBondContact O-N 3.35Å; D198-L205 HydrophobicContact CB-CD1 4.01Å; D198-L205 HydrophobicContact CB-CD2 4.06Å; D198-L205 HydrophobicContact CB-CG 4.02Å; Q203-L205 PolarHBondContact O-N 3.02Å
206	K	96.8	Very high	94.7	Very high	68 Å²	68	57.9 Å²	57.9	30%	0.296	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	143.1	-177.7	-165.9	165.9	-74.1	-166.2	0	112.1	R195 I196 L208 Y242 S243	R195-K206 CarbonylContact C-O 3.45Å; R195-K206 WeakPolarHBondContact CA-O 3.5Å; I196-K206 HydrophobicContact CB-CB 4.34Å; I196-K206 PolarHBondContact N-O 2.95Å; I196-K206 PolarHBondContact O-N 3.17Å; K206-L208 HydrophobicContact CD-CD2 3.73Å; K206-L208 HydrophobicContact CD-CG 4.49Å; K206-L208 HydrophobicContact CG-CD2 4.04Å; K206-L208 HydrophobicContact CG-CG 4.44Å; K206-Y242 WeakPolarHBondContact CD-O 3.33Å; K206-Y242 WeakPolarHBondContact CE-O 3.34Å; K206-Y242 PolarHBondContact NZ-O 2.92Å; K206-S243 PolarHBondContact NZ-O 2.58Å
207	T	97.6	Very high	94.7	Very high	66 Å²	66	57.7 Å²	57.7	41%	0.405	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.5	164.9	-56.7	0	0	0	0	107.9	L193 R195	L193-T207 HydrophobicContact CB-CG2 4.3Å; L193-T207 HydrophobicContact CD1-CG2 4.07Å; L193-T207 HydrophobicContact CD2-CG2 4.05Å; L193-T207 HydrophobicContact CG-CG2 4.38Å; R195-T207 HydrophobicContact CG-CG2 4.18Å
208	L	94.1	Very high	94.7	Very high	13 Å²	13	57.8 Å²	57.8	7%	0.068	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.1	173.1	-59	173.6	0	0	0	107.6	C194 I196 K206 I228	C194-L208 HydrophobicContact CB-CB 4.09Å; C194-L208 PolarHBondContact N-O 2.87Å; C194-L208 VanDerWaalsContact N-O 3.07Å; C194-L208 PolarHBondContact O-N 2.93Å; I196-L208 HydrophobicContact CD1-CD1 4.48Å; K206-L208 HydrophobicContact CD-CD2 3.73Å; K206-L208 HydrophobicContact CD-CG 4.49Å; K206-L208 HydrophobicContact CG-CD2 4.04Å; K206-L208 HydrophobicContact CG-CG 4.44Å; L208-I228 HydrophobicContact CD1-CD1 3.31Å; L208-I228 HydrophobicContact CD1-CG1 4.27Å
209	I	91.4	Very high	94.7	Very high	102 Å²	102	56 Å²	56	52%	0.523	32%	0.318	S	S	.	.			trans	-131.6	145.4	179.1	-174.7	164.4	0	0	0	107.5	L193 N213	L193-I209 HydrophobicContact CD2-CB 4.08Å; L193-I209 HydrophobicContact CD2-CD1 3.9Å; L193-I209 HydrophobicContact CD2-CG1 4.09Å; I209-N213 HydrophobicContact CD1-CB 4.35Å; I209-N213 HydrophobicContact CG1-CB 4.29Å
210	D	80.8	Confident	94.7	Very high	41 Å²	41	57.3 Å²	57.3	22%	0.219	32%	0.323	C	S	.	.			trans	-109.3	159.1	171.7	-149	-24	0	0	0	109.4	D212 N213 K238 W240	D210-D212 VanDerWaalsContact C-N 3.25Å; D210-D212 PolarHBondContact O-N 3.41Å; D210-D212 VanDerWaalsContact O-N 3.14Å; D210-N213 PolarHBondContact O-N 3.34Å; D210-K238 IonicContact OD1-NZ 3.97Å; D210-K238 WeakPolarHBondContact OD2-CD 3.27Å; D210-K238 WeakPolarHBondContact OD2-CE 3.25Å; D210-K238 IonicContact OD2-NZ 3.14Å; D210-K238 PolarHBondContact OD2-NZ 2.84Å; D210-W240 HydrophobicContact CB-CH2 4.27Å; D210-W240 HydrophobicContact CB-CZ2 4.1Å; D210-W240 WeakPolarHBondContact OD2-CZ2 3.34Å
211	D	77.9	Confident	94.7	Very high	160 Å²	160	53.7 Å²	53.7	86%	0.856	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.2	-166.9	-66.3	-31.1	0	0	0	113.1
212	D	82.9	Confident	94.7	Very high	148 Å²	148	51.1 Å²	51.1	79%	0.791	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-8.8	-178.4	-62.9	-39.1	0	0	0	114.1	D210	D210-D212 VanDerWaalsContact C-N 3.25Å; D210-D212 PolarHBondContact O-N 3.41Å; D210-D212 VanDerWaalsContact O-N 3.14Å
213	N	88.9	Confident	94.7	Very high	55 Å²	55	54.2 Å²	54.2	29%	0.294	29%	0.293	S	S	.	.			trans	39.7	49.1	-179.4	-160.9	51.1	0	0	0	116.5	D191 G192 I209 D210	D191-N213 PolarHBondContact O-ND2 2.97Å; G192-N213 VanDerWaalsContact CA-OD1 3.27Å; G192-N213 WeakPolarHBondContact CA-OD1 3.34Å; G192-N213 PolarHBondContact O-OD1 2.73Å; I209-N213 HydrophobicContact CD1-CB 4.35Å; I209-N213 HydrophobicContact CG1-CB 4.29Å; D210-N213 PolarHBondContact O-N 3.34Å
214	P	96.3	Very high	94.7	Very high	19 Å²	19	52.1 Å²	52.1	12%	0.123	29%	0.286	C	S	.	.			trans	-65.4	154	175	29.7	-35.8	0	0	0	110.9	G192 V216 T232 D234	G192-P214 WeakPolarHBondContact CA-O 3.19Å; P214-V216 PolarHBondContact O-N 3.03Å; P214-T232 HydrophobicContact CG-CG2 3.86Å; P214-D234 HydrophobicContact CB-CB 4.22Å; P214-D234 HydrophobicContact CG-CB 4.43Å
215	P	98.4	Very high	94.5	Very high	48 Å²	48	50.1 Å²	50.1	31%	0.312	27%	0.274	S	S	.	.			trans	-54.7	126.3	179.8	-23.4	31.8	0	0	0	111.7	Y190 S217 T232 L233	Y190-P215 HydrophobicContact CD1-CB 3.73Å; Y190-P215 HydrophobicContact CG-CB 4.43Å; P215-S217 PolarHBondContact O-N 2.87Å; P215-T232 WeakPolarHBondContact O-CA 3.31Å; P215-L233 HydrophobicContact CB-CB 4.41Å; P215-L233 HydrophobicContact CB-CD1 4.12Å; P215-L233 HydrophobicContact CB-CG 4.27Å; P215-L233 PolarHBondContact O-N 3.1Å
216	V	98.8	Very high	94.4	Very high	6 Å²	6	51.8 Å²	51.8	4%	0.036	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115	179.8	-175.4	0	0	0	0	108.1	S174 S189 G192 P214 A230 A231 T232	S174-V216 WeakPolarHBondContact CB-O 3.32Å; S174-V216 PolarHBondContact OG-O 2.87Å; S189-V216 CarbonylContact C-O 3.57Å; S189-V216 PolarHBondContact O-N 3.07Å; G192-V216 WeakPolarHBondContact O-CG2 3.41Å; P214-V216 PolarHBondContact O-N 3.03Å; V216-A230 HydrophobicContact CG1-CB 4.28Å; V216-A231 CarbonylContact C-O 3.54Å; V216-A231 WeakPolarHBondContact CA-O 3.42Å; V216-A231 VanDerWaalsContact CG1-O 3.3Å; V216-A231 WeakPolarHBondContact CG1-O 3.5Å; V216-T232 HydrophobicContact CB-CG2 4.46Å; V216-T232 HydrophobicContact CG2-CG2 3.9Å
217	S	98.8	Very high	94.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-16.8	-171.4	67.9	0	0	0	0	113.3	S174 P215 A231 L233 N256 C260	S174-S217 WeakPolarHBondContact CB-O 3.42Å; P215-S217 PolarHBondContact O-N 2.87Å; S217-A231 PolarHBondContact N-O 2.85Å; S217-A231 PolarHBondContact OG-O 3.22Å; S217-L233 VanDerWaalsContact CB-CD2 3.43Å; S217-N256 PolarHBondContact OG-ND2 2.77Å; S217-C260 WeakPolarHBondContact O-CA 3.48Å; S217-C260 WeakPolarHBondContact O-CB 3.41Å; S217-C260 PolarHBondContact O-SG 3.11Å
218	F	98.9	Very high	94.6	Very high	13 Å²	13	49 Å²	49	6%	0.057	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	149.6	175	-178.6	-103.2	0	0	0	111.9	A175 K220 A230 A231 I261 F262 A263	A175-F218 HydrophobicContact CB-CD2 3.91Å; A175-F218 HydrophobicContact CB-CE2 4.34Å; F218-K220 HydrophobicContact CE1-CB 4.08Å; F218-K220 HydrophobicContact CE1-CD 3.79Å; F218-K220 HydrophobicContact CE1-CG 3.87Å; F218-K220 HydrophobicContact CZ-CB 4.03Å; F218-K220 HydrophobicContact CZ-CD 3.87Å; F218-K220 HydrophobicContact CZ-CG 4.17Å; F218-A230 CarbonylContact O-C 3.58Å; F218-A230 VanDerWaalsContact O-CA 3.27Å; F218-A230 WeakPolarHBondContact O-CA 3.2Å; F218-A231 HydrophobicContact CB-CB 3.87Å; F218-A231 PolarHBondContact N-O 2.82Å; F218-A231 PolarHBondContact O-N 3.49Å; F218-I261 WeakPolarHBondContact CB-O 3.42Å; F218-F262 AromaticContact CD2-CD1 3.96Å; F218-F262 HydrophobicContact CD2-CD1 3.96Å; F218-F262 HydrophobicContact CD2-CE1 4.4Å; F218-F262 HydrophobicContact CD2-CG 4.38Å; F218-F262 HydrophobicContact CE2-CB 4.37Å; F218-F262 AromaticContact CE2-CD1 3.32Å; F218-F262 HydrophobicContact CE2-CD1 3.32Å; F218-F262 AromaticContact CE2-CE1 3.84Å; F218-F262 HydrophobicContact CE2-CE1 3.84Å; F218-F262 HydrophobicContact CE2-CG 4.08Å; F218-F262 AromaticContact CZ-CD1 4Å; F218-F262 HydrophobicContact CZ-CD1 4Å; F218-A263 HydrophobicContact CD1-CB 4.05Å; F218-A263 HydrophobicContact CE1-CB 4.2Å; F218-A263 WeakPolarHBondContact CE1-O 3.37Å
219	V	98.9	Very high	94.8	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.9	169.4	72.3	0	0	0	0	112.2	A175 V186 S188 I228 L229 A230	A175-V219 HydrophobicContact CB-CG1 4.12Å; V186-V219 HydrophobicContact CG1-CG1 4.11Å; V186-V219 HydrophobicContact CG1-CG2 4.19Å; V186-V219 HydrophobicContact CG2-CB 4.47Å; V186-V219 HydrophobicContact CG2-CG1 3.93Å; V186-V219 HydrophobicContact CG2-CG2 3.64Å; S188-V219 WeakPolarHBondContact OG-CG1 3.35Å; V219-I228 HydrophobicContact CG2-CB 4.2Å; V219-I228 HydrophobicContact CG2-CD1 4.05Å; V219-L229 CarbonylContact C-O 3.56Å; V219-L229 VanDerWaalsContact CA-O 3.28Å; V219-L229 WeakPolarHBondContact CA-O 3.46Å; V219-A230 HydrophobicContact CG2-CB 4.31Å
220	K	98.9	Very high	95.2	Very high	39 Å²	39	43.7 Å²	43.7	17%	0.17	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.5	166.6	73.3	-174.3	-60.1	164.5	0	112.9	H177 F218 I228 L229 A263 N264 F265	H177-K220 HydrophobicContact CB-CB 4.19Å; F218-K220 HydrophobicContact CE1-CB 4.08Å; F218-K220 HydrophobicContact CE1-CD 3.79Å; F218-K220 HydrophobicContact CE1-CG 3.87Å; F218-K220 HydrophobicContact CZ-CB 4.03Å; F218-K220 HydrophobicContact CZ-CD 3.87Å; F218-K220 HydrophobicContact CZ-CG 4.17Å; K220-I228 CarbonylContact O-C 3.56Å; K220-I228 VanDerWaalsContact O-CA 3.28Å; K220-I228 WeakPolarHBondContact O-CA 3.27Å; K220-L229 PolarHBondContact N-O 2.76Å; K220-L229 PolarHBondContact O-N 3.37Å; K220-A263 VanDerWaalsContact CD-O 3.22Å; K220-A263 WeakPolarHBondContact CD-O 3.38Å; K220-N264 PolarHBondContact NZ-OD1 3.33Å; K220-F265 HydrophobicContact CD-CD2 4.42Å; K220-F265 HydrophobicContact CG-CE2 4.2Å
221	F	98.9	Very high	96	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	148.3	167.8	-74.7	-77	0	0	0	111.6	H177 N179 L184 V186 Y227 I228 Y242	H177-F221 PolarHBondContact ND1-N 3.17Å; N179-F221 HydrophobicContact CB-CD1 4.19Å; N179-F221 HydrophobicContact CB-CD2 3.72Å; N179-F221 HydrophobicContact CB-CE1 4.27Å; N179-F221 HydrophobicContact CB-CE2 3.77Å; N179-F221 HydrophobicContact CB-CG 3.93Å; N179-F221 HydrophobicContact CB-CZ 4.07Å; L184-F221 HydrophobicContact CB-CE2 4.26Å; L184-F221 HydrophobicContact CB-CZ 3.94Å; L184-F221 HydrophobicContact CD1-CZ 4.41Å; V186-F221 HydrophobicContact CB-CD2 4.15Å; V186-F221 HydrophobicContact CB-CE2 3.56Å; V186-F221 HydrophobicContact CB-CZ 3.82Å; V186-F221 HydrophobicContact CG1-CD2 3.55Å; V186-F221 HydrophobicContact CG1-CE2 3.48Å; V186-F221 VanDerWaalsContact CG1-CE2 3.48Å; V186-F221 HydrophobicContact CG1-CG 4.28Å; V186-F221 HydrophobicContact CG1-CZ 4.14Å; F221-Y227 CarbonylContact C-O 3.38Å; F221-Y227 WeakPolarHBondContact CA-O 3.32Å; F221-I228 HydrophobicContact CD1-CG2 3.54Å; F221-I228 HydrophobicContact CE1-CG2 3.65Å; F221-I228 HydrophobicContact CG-CG2 4.2Å; F221-I228 HydrophobicContact CZ-CG2 4.4Å; F221-Y242 HydrophobicContact CD1-CD1 4.46Å; F221-Y242 HydrophobicContact CD1-CE1 4.11Å; F221-Y242 HydrophobicContact CE1-CD1 4.04Å; F221-Y242 AromaticContact CE1-CE1 3.74Å; F221-Y242 HydrophobicContact CE1-CE1 3.74Å
222	S	98.7	Very high	97	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.042	18%	0.183	C	C	.	.			trans	-65.9	154.7	164.9	60.2	0	0	0	0	111	N224 G225 K226 Y227 F265	S222-N224 PolarHBondContact O-N 2.94Å; S222-N224 VanDerWaalsContact O-N 3.09Å; S222-N224 PolarHBondContact OG-OD1 2.84Å; S222-G225 WeakPolarHBondContact O-CA 3.3Å; S222-G225 PolarHBondContact O-N 3.17Å; S222-K226 PolarHBondContact OG-N 3.2Å; S222-Y227 PolarHBondContact N-O 3.49Å; S222-Y227 PolarHBondContact OG-N 2.6Å; S222-Y227 PolarHBondContact OG-O 3.5Å; S222-F265 VanDerWaalsContact CA-CE2 3.45Å
223	P	97.8	Very high	97.7	Very high	74 Å²	74	29.1 Å²	29.1	48%	0.481	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.5	-177.4	-29.5	37.6	0	0	0	114.9	G225 F265 V267	P223-G225 VanDerWaalsContact C-N 3.3Å; P223-F265 HydrophobicContact CG-CB 4.12Å; P223-V267 HydrophobicContact CG-CG1 4.07Å
224	N	96.6	Very high	98.2	Very high	82 Å²	82	29.1 Å²	29.1	44%	0.439	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.3	175	67.7	4.1	0	0	0	113.8	S222 K226	S222-N224 PolarHBondContact O-N 2.94Å; S222-N224 VanDerWaalsContact O-N 3.09Å; S222-N224 PolarHBondContact OG-OD1 2.84Å; N224-K226 VanDerWaalsContact C-N 3.26Å; N224-K226 PolarHBondContact O-N 2.77Å; N224-K226 PolarHBondContact OD1-N 3.1Å
225	G	95.6	Very high	98.3	Very high	9 Å²	9	29.9 Å²	29.9	9%	0.093	16%	0.156	C	C	.	.	S	Bend	trans	72.1	6.6	179.6	0	0	0	0	0	115.7	S222 P223 Y242	S222-G225 WeakPolarHBondContact O-CA 3.3Å; S222-G225 PolarHBondContact O-N 3.17Å; P223-G225 VanDerWaalsContact C-N 3.3Å; G225-Y242 VanDerWaalsContact O-CE1 3.27Å; G225-Y242 WeakPolarHBondContact O-CE1 3.41Å; G225-Y242 PolarHBondContact O-OH 3.16Å; G225-Y242 VanDerWaalsContact O-OH 3.07Å
226	K	96.5	Very high	98.3	Very high	134 Å²	134	28.3 Å²	28.3	58%	0.583	15%	0.145	S	C	*	.	S	Bend	trans	-91.3	-22.4	-175	-67	-171.4	175.6	-175.4	0	114.6	S222 N224 Y242	S222-K226 PolarHBondContact OG-N 3.2Å; N224-K226 VanDerWaalsContact C-N 3.26Å; N224-K226 PolarHBondContact O-N 2.77Å; N224-K226 PolarHBondContact OD1-N 3.1Å; K226-Y242 WeakPolarHBondContact O-CD1 3.46Å; K226-Y242 WeakPolarHBondContact O-CE1 3.47Å
227	Y	98.4	Very high	98.3	Very high	75 Å²	75	28 Å²	28	29%	0.294	14%	0.144	S	C	.	.			trans	-128	162.1	-174.4	-47.9	-63.9	0	0	0	110.2	F221 S222 L239 W240 D241 L248	F221-Y227 CarbonylContact C-O 3.38Å; F221-Y227 WeakPolarHBondContact CA-O 3.32Å; S222-Y227 PolarHBondContact N-O 3.49Å; S222-Y227 PolarHBondContact OG-N 2.6Å; S222-Y227 PolarHBondContact OG-O 3.5Å; Y227-L239 HydrophobicContact CG-CD1 4.38Å; Y227-W240 CarbonylContact C-O 3.53Å; Y227-W240 WeakPolarHBondContact CA-O 3.33Å; Y227-W240 WeakPolarHBondContact CB-O 3.35Å; Y227-D241 HydrophobicContact CD1-CB 4.44Å; Y227-L248 HydrophobicContact CD1-CD1 3.76Å; Y227-L248 HydrophobicContact CE1-CD1 3.62Å
228	I	98.7	Very high	98.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.5	162.9	65.3	169.5	0	0	0	109.3	V186 C194 L208 V219 K220 F221 L239 W240 Y242	V186-I228 HydrophobicContact CG2-CD1 4.3Å; V186-I228 HydrophobicContact CG2-CG2 4.28Å; C194-I228 HydrophobicContact CB-CD1 4.27Å; L208-I228 HydrophobicContact CD1-CD1 3.31Å; L208-I228 HydrophobicContact CD1-CG1 4.27Å; V219-I228 HydrophobicContact CG2-CB 4.2Å; V219-I228 HydrophobicContact CG2-CD1 4.05Å; K220-I228 CarbonylContact O-C 3.56Å; K220-I228 VanDerWaalsContact O-CA 3.28Å; K220-I228 WeakPolarHBondContact O-CA 3.27Å; F221-I228 HydrophobicContact CD1-CG2 3.54Å; F221-I228 HydrophobicContact CE1-CG2 3.65Å; F221-I228 HydrophobicContact CG-CG2 4.2Å; F221-I228 HydrophobicContact CZ-CG2 4.4Å; I228-L239 CarbonylContact O-C 3.54Å; I228-L239 WeakPolarHBondContact O-CA 3.18Å; I228-W240 HydrophobicContact CD1-CB 4.34Å; I228-W240 HydrophobicContact CG1-CB 3.68Å; I228-W240 HydrophobicContact CG1-CG 4.36Å; I228-W240 PolarHBondContact N-O 3.16Å; I228-W240 PolarHBondContact O-N 3.33Å; I228-Y242 HydrophobicContact CG2-CD1 4.13Å
229	L	98.9	Very high	98.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.4	168.1	178.9	68.1	0	0	0	107.4	V219 K220 L237 K238 Y251 A263 F265 I273	V219-L229 CarbonylContact C-O 3.56Å; V219-L229 VanDerWaalsContact CA-O 3.28Å; V219-L229 WeakPolarHBondContact CA-O 3.46Å; K220-L229 PolarHBondContact N-O 2.76Å; K220-L229 PolarHBondContact O-N 3.37Å; L229-L237 HydrophobicContact CD1-CB 4.37Å; L229-L237 HydrophobicContact CD1-CD2 4.38Å; L229-L237 HydrophobicContact CG-CD2 4.42Å; L229-K238 WeakPolarHBondContact CA-O 3.45Å; L229-Y251 HydrophobicContact CD1-CE2 4.41Å; L229-A263 HydrophobicContact CD2-CB 3.71Å; L229-A263 HydrophobicContact CG-CB 4.44Å; L229-F265 HydrophobicContact CB-CE2 3.64Å; L229-F265 HydrophobicContact CB-CZ 3.57Å; L229-F265 HydrophobicContact CD2-CE2 4.21Å; L229-F265 HydrophobicContact CD2-CZ 4.36Å; L229-F265 HydrophobicContact CG-CZ 4.49Å; L229-I273 HydrophobicContact CD1-CD1 4.34Å; L229-I273 HydrophobicContact CD1-CG2 4.39Å; L229-I273 HydrophobicContact CD2-CD1 4.17Å; L229-I273 HydrophobicContact CD2-CG2 4.04Å
230	A	98.8	Very high	98.2	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.033	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.8	178.1	0	0	0	0	0	110.3	V216 F218 V219 L237 K238	V216-A230 HydrophobicContact CG1-CB 4.28Å; F218-A230 CarbonylContact O-C 3.58Å; F218-A230 VanDerWaalsContact O-CA 3.27Å; F218-A230 WeakPolarHBondContact O-CA 3.2Å; V219-A230 HydrophobicContact CG2-CB 4.31Å; A230-L237 CarbonylContact O-C 3.58Å; A230-L237 WeakPolarHBondContact O-CA 3.45Å; A230-K238 PolarHBondContact N-O 3.29Å; A230-K238 PolarHBondContact O-N 3.42Å
231	A	98.8	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.8	171.3	0	0	0	0	0	109.5	V216 S217 F218 L237	V216-A231 CarbonylContact C-O 3.54Å; V216-A231 WeakPolarHBondContact CA-O 3.42Å; V216-A231 VanDerWaalsContact CG1-O 3.3Å; V216-A231 WeakPolarHBondContact CG1-O 3.5Å; S217-A231 PolarHBondContact N-O 2.85Å; S217-A231 PolarHBondContact OG-O 3.22Å; F218-A231 HydrophobicContact CB-CB 3.87Å; F218-A231 PolarHBondContact N-O 2.82Å; F218-A231 PolarHBondContact O-N 3.49Å; A231-L237 HydrophobicContact CB-CD2 3.43Å; A231-L237 VanDerWaalsContact CB-CD2 3.43Å; A231-L237 HydrophobicContact CB-CG 4.42Å
232	T	98.6	Very high	98.1	Very high	12 Å²	12	31 Å²	31	7%	0.074	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.6	179.1	41.6	0	0	0	0	110.3	P214 P215 V216 D234 T236	P214-T232 HydrophobicContact CG-CG2 3.86Å; P215-T232 WeakPolarHBondContact O-CA 3.31Å; V216-T232 HydrophobicContact CB-CG2 4.46Å; V216-T232 HydrophobicContact CG2-CG2 3.9Å; T232-D234 WeakPolarHBondContact CB-OD1 3.5Å; T232-D234 PolarHBondContact O-N 3.35Å; T232-D234 PolarHBondContact OG1-OD1 3.27Å; T232-T236 PolarHBondContact N-O 2.66Å; T232-T236 PolarHBondContact OG1-O 3.23Å
233	L	98.5	Very high	97.9	Very high	30 Å²	30	34.3 Å²	34.3	16%	0.157	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	36.6	-179.4	-64.1	-168.8	0	0	0	113.7	Y190 P215 S217 N256	Y190-L233 HydrophobicContact CD1-CD1 4.2Å; Y190-L233 HydrophobicContact CE1-CD1 3.88Å; P215-L233 HydrophobicContact CB-CB 4.41Å; P215-L233 HydrophobicContact CB-CD1 4.12Å; P215-L233 HydrophobicContact CB-CG 4.27Å; P215-L233 PolarHBondContact O-N 3.1Å; S217-L233 VanDerWaalsContact CB-CD2 3.43Å; L233-N256 CarbonylContact C-O 3.53Å; L233-N256 WeakPolarHBondContact CA-O 3.46Å
234	D	98.1	Very high	97.8	Very high	55 Å²	55	37.8 Å²	37.8	29%	0.294	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	24.5	175.1	68.3	-15.6	0	0	0	110.5	P214 T232 T236	P214-D234 HydrophobicContact CB-CB 4.22Å; P214-D234 HydrophobicContact CG-CB 4.43Å; T232-D234 WeakPolarHBondContact CB-OD1 3.5Å; T232-D234 PolarHBondContact O-N 3.35Å; T232-D234 PolarHBondContact OG1-OD1 3.27Å; D234-T236 VanDerWaalsContact C-N 3.32Å; D234-T236 PolarHBondContact O-N 3.04Å; D234-T236 PolarHBondContact O-OG1 3.21Å; D234-T236 WeakPolarHBondContact OD1-CB 3.38Å; D234-T236 PolarHBondContact OD1-N 3.17Å; D234-T236 PolarHBondContact OD1-OG1 2.86Å
235	N	98.6	Very high	97.6	Very high	35 Å²	35	35.4 Å²	35.4	19%	0.187	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	27.1	-177	-47.9	-74.5	0	0	0	114.9	H254 K255 N256 E257	N235-H254 WeakPolarHBondContact CB-O 3.13Å; N235-H254 PolarHBondContact O-CE1 2.8Å; N235-H254 VanDerWaalsContact O-CE1 3.24Å; N235-K255 WeakPolarHBondContact OD1-CA 3.23Å; N235-K255 WeakPolarHBondContact OD1-CD 3.37Å; N235-N256 PolarHBondContact N-O 3.04Å; N235-N256 PolarHBondContact OD1-N 2.83Å; N235-E257 PolarHBondContact ND2-OE1 2.86Å; N235-E257 WeakPolarHBondContact OD1-CG 3.24Å
236	T	98.4	Very high	97.6	Very high	15 Å²	15	41.5 Å²	41.5	9%	0.092	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.4	-172.4	-54	0	0	0	0	113.4	T232 D234 K238 T250 T252	T232-T236 PolarHBondContact N-O 2.66Å; T232-T236 PolarHBondContact OG1-O 3.23Å; D234-T236 VanDerWaalsContact C-N 3.32Å; D234-T236 PolarHBondContact O-N 3.04Å; D234-T236 PolarHBondContact O-OG1 3.21Å; D234-T236 WeakPolarHBondContact OD1-CB 3.38Å; D234-T236 PolarHBondContact OD1-N 3.17Å; D234-T236 PolarHBondContact OD1-OG1 2.86Å; T236-K238 HydrophobicContact CG2-CD 4.36Å; T236-K238 HydrophobicContact CG2-CG 3.78Å; T236-T250 HydrophobicContact CG2-CG2 3.3Å; T236-T252 HydrophobicContact CG2-CG2 4.22Å
237	L	98.8	Very high	97.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.1	163.3	-75.6	162.8	0	0	0	109.4	L229 A230 A231 T250 Y251 A263 I273 W285	L229-L237 HydrophobicContact CD1-CB 4.37Å; L229-L237 HydrophobicContact CD1-CD2 4.38Å; L229-L237 HydrophobicContact CG-CD2 4.42Å; A230-L237 CarbonylContact O-C 3.58Å; A230-L237 WeakPolarHBondContact O-CA 3.45Å; A231-L237 HydrophobicContact CB-CD2 3.43Å; A231-L237 VanDerWaalsContact CB-CD2 3.43Å; A231-L237 HydrophobicContact CB-CG 4.42Å; L237-T250 CarbonylContact O-C 3.55Å; L237-T250 WeakPolarHBondContact O-CA 3.31Å; L237-Y251 HydrophobicContact CB-CD2 4.11Å; L237-Y251 PolarHBondContact N-O 3.1Å; L237-Y251 PolarHBondContact O-N 3.07Å; L237-A263 HydrophobicContact CD1-CB 4.27Å; L237-A263 HydrophobicContact CD2-CB 3.57Å; L237-I273 HydrophobicContact CD1-CG2 4.13Å; L237-W285 HydrophobicContact CD1-CH2 4.15Å; L237-W285 HydrophobicContact CD1-CZ3 4.05Å
238	K	98.6	Very high	97.5	Very high	32 Å²	32	37.6 Å²	37.6	14%	0.139	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132	179.7	-60.9	-171.9	-173.7	-172.8	0	111.2	D210 L229 A230 T236 W240 K249 T250	D210-K238 IonicContact OD1-NZ 3.97Å; D210-K238 WeakPolarHBondContact OD2-CD 3.27Å; D210-K238 WeakPolarHBondContact OD2-CE 3.25Å; D210-K238 IonicContact OD2-NZ 3.14Å; D210-K238 PolarHBondContact OD2-NZ 2.84Å; L229-K238 WeakPolarHBondContact CA-O 3.45Å; A230-K238 PolarHBondContact N-O 3.29Å; A230-K238 PolarHBondContact O-N 3.42Å; T236-K238 HydrophobicContact CG2-CD 4.36Å; T236-K238 HydrophobicContact CG2-CG 3.78Å; K238-W240 VanDerWaalsContact CB-NE1 3.29Å; K238-W240 HydrophobicContact CD-CZ2 4.39Å; K238-K249 CarbonylContact C-O 3.56Å; K238-K249 WeakPolarHBondContact CA-O 3.37Å; K238-T250 HydrophobicContact CG-CG2 4.41Å
239	L	98.6	Very high	97.5	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.2	170.5	-174.2	72	0	0	0	109	Y227 I228 L248 K249 Y251 F265	Y227-L239 HydrophobicContact CG-CD1 4.38Å; I228-L239 CarbonylContact O-C 3.54Å; I228-L239 WeakPolarHBondContact O-CA 3.18Å; L239-L248 WeakPolarHBondContact O-CB 3.24Å; L239-L248 PolarHBondContact O-N 2.81Å; L239-K249 HydrophobicContact CB-CB 4Å; L239-K249 HydrophobicContact CB-CG 4.49Å; L239-K249 HydrophobicContact CD2-CG 4.17Å; L239-K249 PolarHBondContact N-O 3.28Å; L239-K249 PolarHBondContact O-N 2.69Å; L239-Y251 HydrophobicContact CB-CE2 4.13Å; L239-F265 HydrophobicContact CD1-CE1 3.69Å; L239-F265 HydrophobicContact CD1-CZ 3.59Å
240	W	98.4	Very high	97.4	Very high	24 Å²	24	43 Å²	43	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.1	-176.4	-68.9	78	0	0	0	112.2	D210 Y227 I228 K238 Y242 K246 C247	D210-W240 HydrophobicContact CB-CH2 4.27Å; D210-W240 HydrophobicContact CB-CZ2 4.1Å; D210-W240 WeakPolarHBondContact OD2-CZ2 3.34Å; Y227-W240 CarbonylContact C-O 3.53Å; Y227-W240 WeakPolarHBondContact CA-O 3.33Å; Y227-W240 WeakPolarHBondContact CB-O 3.35Å; I228-W240 HydrophobicContact CD1-CB 4.34Å; I228-W240 HydrophobicContact CG1-CB 3.68Å; I228-W240 HydrophobicContact CG1-CG 4.36Å; I228-W240 PolarHBondContact N-O 3.16Å; I228-W240 PolarHBondContact O-N 3.33Å; K238-W240 VanDerWaalsContact CB-NE1 3.29Å; K238-W240 HydrophobicContact CD-CZ2 4.39Å; W240-Y242 PolarHBondContact O-N 2.95Å; W240-K246 WeakPolarHBondContact CA-O 3.47Å; W240-C247 HydrophobicContact CD2-CB 4.02Å; W240-C247 HydrophobicContact CE3-CB 4.17Å; W240-C247 HydrophobicContact CH2-CB 4.02Å; W240-C247 HydrophobicContact CZ2-CB 3.87Å; W240-C247 HydrophobicContact CZ3-CB 4.17Å
241	D	97.9	Very high	97.4	Very high	13 Å²	13	42.9 Å²	42.9	7%	0.07	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	97.9	155.7	-175	-28.3	0	0	0	107.5	Y227 S243 K244 G245 K246 L248	Y227-D241 HydrophobicContact CD1-CB 4.44Å; D241-S243 PolarHBondContact O-N 2.99Å; D241-S243 WeakPolarHBondContact OD1-CB 3.19Å; D241-S243 PolarHBondContact OD1-N 2.8Å; D241-S243 PolarHBondContact OD1-OG 2.89Å; D241-K244 HydrophobicContact CB-CB 4.31Å; D241-K244 PolarHBondContact O-N 3.28Å; D241-K244 PolarHBondContact OD1-N 3.48Å; D241-K244 VanDerWaalsContact OD1-N 3.09Å; D241-K244 VanDerWaalsContact OD2-CD 3.26Å; D241-K244 WeakPolarHBondContact OD2-CD 3.48Å; D241-K244 WeakPolarHBondContact OD2-CE 3.49Å; D241-K244 IonicContact OD2-NZ 3.34Å; D241-G245 WeakPolarHBondContact O-CA 3.36Å; D241-G245 PolarHBondContact O-N 2.82Å; D241-K246 PolarHBondContact N-O 3.43Å; D241-K246 PolarHBondContact O-N 2.91Å; D241-L248 HydrophobicContact CB-CD1 3.87Å; D241-L248 HydrophobicContact CB-CD2 4.11Å; D241-L248 HydrophobicContact CB-CG 4.03Å
242	Y	96.1	Very high	97.4	Very high	45 Å²	45	46.6 Å²	46.6	18%	0.176	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.9	-177.6	72	-93.4	0	0	0	112.5	L184 I196 K206 F221 G225 K226 I228 W240 K244 G245	L184-Y242 HydrophobicContact CD1-CE2 4.13Å; I196-Y242 VanDerWaalsContact CD1-CB 3.42Å; I196-Y242 HydrophobicContact CD1-CD1 4.42Å; I196-Y242 HydrophobicContact CD1-CD2 3.25Å; I196-Y242 HydrophobicContact CD1-CE2 4.1Å; I196-Y242 HydrophobicContact CD1-CG 3.45Å; I196-Y242 VanDerWaalsContact CD1-CG 3.45Å; K206-Y242 WeakPolarHBondContact CD-O 3.33Å; K206-Y242 WeakPolarHBondContact CE-O 3.34Å; K206-Y242 PolarHBondContact NZ-O 2.92Å; F221-Y242 HydrophobicContact CD1-CD1 4.46Å; F221-Y242 HydrophobicContact CD1-CE1 4.11Å; F221-Y242 HydrophobicContact CE1-CD1 4.04Å; F221-Y242 AromaticContact CE1-CE1 3.74Å; F221-Y242 HydrophobicContact CE1-CE1 3.74Å; G225-Y242 VanDerWaalsContact O-CE1 3.27Å; G225-Y242 WeakPolarHBondContact O-CE1 3.41Å; G225-Y242 PolarHBondContact O-OH 3.16Å; G225-Y242 VanDerWaalsContact O-OH 3.07Å; K226-Y242 WeakPolarHBondContact O-CD1 3.46Å; K226-Y242 WeakPolarHBondContact O-CE1 3.47Å; I228-Y242 HydrophobicContact CG2-CD1 4.13Å; W240-Y242 PolarHBondContact O-N 2.95Å; Y242-K244 VanDerWaalsContact C-N 3.32Å; Y242-G245 PolarHBondContact O-N 2.96Å
243	S	95.4	Very high	97.4	Very high	74 Å²	74	48.1 Å²	48.1	52%	0.517	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-38.1	176.8	77.5	0	0	0	0	110.7	K206 D241	K206-S243 PolarHBondContact NZ-O 2.58Å; D241-S243 PolarHBondContact O-N 2.99Å; D241-S243 WeakPolarHBondContact OD1-CB 3.19Å; D241-S243 PolarHBondContact OD1-N 2.8Å; D241-S243 PolarHBondContact OD1-OG 2.89Å
244	K	95.2	Very high	97.4	Very high	147 Å²	147	47.1 Å²	47.1	64%	0.639	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-14	177	-61.9	179.4	-169	166.4	0	113.9	D241 Y242 K246	D241-K244 HydrophobicContact CB-CB 4.31Å; D241-K244 PolarHBondContact O-N 3.28Å; D241-K244 PolarHBondContact OD1-N 3.48Å; D241-K244 VanDerWaalsContact OD1-N 3.09Å; D241-K244 VanDerWaalsContact OD2-CD 3.26Å; D241-K244 WeakPolarHBondContact OD2-CD 3.48Å; D241-K244 WeakPolarHBondContact OD2-CE 3.49Å; D241-K244 IonicContact OD2-NZ 3.34Å; Y242-K244 VanDerWaalsContact C-N 3.32Å; K244-K246 VanDerWaalsContact C-N 3.32Å; K244-K246 HydrophobicContact CB-CG 4.43Å
245	G	93.5	Very high	97.5	Very high	32 Å²	32	48.2 Å²	48.2	33%	0.33	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	36.1	-174.8	0	0	0	0	0	112.6	D241 Y242	D241-G245 WeakPolarHBondContact O-CA 3.36Å; D241-G245 PolarHBondContact O-N 2.82Å; Y242-G245 PolarHBondContact O-N 2.96Å
246	K	94.1	Very high	97.5	Very high	138 Å²	138	46.5 Å²	46.5	60%	0.6	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.3	-176.8	-69.4	-170.5	176.3	-171.7	0	111.8	W240 D241 K244	W240-K246 WeakPolarHBondContact CA-O 3.47Å; D241-K246 PolarHBondContact N-O 3.43Å; D241-K246 PolarHBondContact O-N 2.91Å; K244-K246 VanDerWaalsContact C-N 3.32Å; K244-K246 HydrophobicContact CB-CG 4.43Å
247	C	96	Very high	97.5	Very high	49 Å²	49	50.2 Å²	50.2	33%	0.331	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.3	166.6	-176.2	0	0	0	0	109.2	W240	W240-C247 HydrophobicContact CD2-CB 4.02Å; W240-C247 HydrophobicContact CE3-CB 4.17Å; W240-C247 HydrophobicContact CH2-CB 4.02Å; W240-C247 HydrophobicContact CZ2-CB 3.87Å; W240-C247 HydrophobicContact CZ3-CB 4.17Å
248	L	97.2	Very high	97.5	Very high	77 Å²	77	56.5 Å²	56.5	40%	0.403	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-38.6	-178.6	-60.7	-178.7	0	0	0	112.4	Y227 L239 D241	Y227-L248 HydrophobicContact CD1-CD1 3.76Å; Y227-L248 HydrophobicContact CE1-CD1 3.62Å; L239-L248 WeakPolarHBondContact O-CB 3.24Å; L239-L248 PolarHBondContact O-N 2.81Å; D241-L248 HydrophobicContact CB-CD1 3.87Å; D241-L248 HydrophobicContact CB-CD2 4.11Å; D241-L248 HydrophobicContact CB-CG 4.03Å
249	K	98.2	Very high	97.5	Very high	56 Å²	56	58.2 Å²	58.2	24%	0.243	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	146.7	-174.1	-54.5	-72.4	177.9	166	0	109.7	K238 L239 Y251 Q288 K290	K238-K249 CarbonylContact C-O 3.56Å; K238-K249 WeakPolarHBondContact CA-O 3.37Å; L239-K249 HydrophobicContact CB-CB 4Å; L239-K249 HydrophobicContact CB-CG 4.49Å; L239-K249 HydrophobicContact CD2-CG 4.17Å; L239-K249 PolarHBondContact N-O 3.28Å; L239-K249 PolarHBondContact O-N 2.69Å; K249-Y251 HydrophobicContact CB-CE2 3.97Å; K249-Q288 PolarHBondContact NZ-O 2.81Å; K249-K290 HydrophobicContact CB-CD 4.45Å; K249-K290 HydrophobicContact CB-CG 4.3Å; K249-K290 HydrophobicContact CD-CD 4.1Å; K249-K290 HydrophobicContact CD-CG 4.08Å
250	T	98.3	Very high	97.5	Very high	59 Å²	59	58.3 Å²	58.3	36%	0.362	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.3	177.8	-51.3	0	0	0	0	108.1	T236 L237 K238 T252 K290	T236-T250 HydrophobicContact CG2-CG2 3.3Å; L237-T250 CarbonylContact O-C 3.55Å; L237-T250 WeakPolarHBondContact O-CA 3.31Å; K238-T250 HydrophobicContact CG-CG2 4.41Å; T250-T252 HydrophobicContact CG2-CG2 4.04Å; T250-K290 WeakPolarHBondContact O-CD 3.4Å
251	Y	98.8	Very high	97.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.7	177.8	-44.9	-90.9	0	0	0	108.8	L229 L237 L239 K249 I273 W285 L287 K290	L229-Y251 HydrophobicContact CD1-CE2 4.41Å; L237-Y251 HydrophobicContact CB-CD2 4.11Å; L237-Y251 PolarHBondContact N-O 3.1Å; L237-Y251 PolarHBondContact O-N 3.07Å; L239-Y251 HydrophobicContact CB-CE2 4.13Å; K249-Y251 HydrophobicContact CB-CE2 3.97Å; Y251-I273 HydrophobicContact CD1-CG1 4.36Å; Y251-I273 HydrophobicContact CD2-CG1 4.26Å; Y251-I273 HydrophobicContact CE1-CG1 3.89Å; Y251-I273 HydrophobicContact CE2-CG1 3.78Å; Y251-W285 HydrophobicContact CD1-CB 3.74Å; Y251-W285 HydrophobicContact CD1-CG 4.03Å; Y251-W285 HydrophobicContact CE1-CB 4.37Å; Y251-W285 HydrophobicContact CG-CG 4.46Å; Y251-L287 PolarHBondContact OH-O 2.93Å; Y251-K290 HydrophobicContact CD1-CB 3.93Å; Y251-K290 HydrophobicContact CD1-CG 4.26Å; Y251-K290 HydrophobicContact CE1-CB 4.1Å; Y251-K290 HydrophobicContact CE1-CG 4.03Å
252	T	98.8	Very high	97.6	Very high	78 Å²	78	57.8 Å²	57.8	48%	0.479	30%	0.303	S	S	.	.			trans	-132.8	177.2	-175.4	58.3	0	0	0	0	110.6	T236 T250 W285	T236-T252 HydrophobicContact CG2-CG2 4.22Å; T250-T252 HydrophobicContact CG2-CG2 4.04Å; T252-W285 PolarHBondContact O-NE1 3.07Å
253	G	98.6	Very high	97.7	Very high	44 Å²	44	55.6 Å²	55.6	45%	0.454	30%	0.295	S	S	.	.	S	Bend	trans	99.3	-4.1	176.9	0	0	0	0	0	114.6	Y283	G253-Y283 WeakPolarHBondContact O-CE1 3.36Å; G253-Y283 VanDerWaalsContact O-CZ 3.32Å; G253-Y283 PolarHBondContact O-OH 2.96Å; G253-Y283 VanDerWaalsContact O-OH 3.12Å
254	H	98.8	Very high	97.9	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.042	27%	0.274	C	S	.	.	S	Bend	trans	-91	167.7	162.3	70.2	-71.3	0	0	0	109.7	N235 Y283 W285	N235-H254 WeakPolarHBondContact CB-O 3.13Å; N235-H254 PolarHBondContact O-CE1 2.8Å; N235-H254 VanDerWaalsContact O-CE1 3.24Å; H254-Y283 HydrophobicContact CB-CD1 4.06Å; H254-Y283 HydrophobicContact CB-CD2 3.69Å; H254-Y283 HydrophobicContact CB-CE1 4.14Å; H254-Y283 HydrophobicContact CB-CE2 3.8Å; H254-Y283 HydrophobicContact CB-CG 3.85Å; H254-W285 HydrophobicContact CB-CH2 3.8Å; H254-W285 HydrophobicContact CB-CZ2 3.87Å; H254-W285 AromaticContact CG-CH2 3.73Å; H254-W285 AromaticContact CG-CZ2 3.92Å; H254-W285 AromaticContact ND1-CH2 3.56Å; H254-W285 AromaticContact ND1-CZ2 3.48Å; H254-W285 WeakPolarHBondContact ND1-CZ2 3.38Å
255	K	98.8	Very high	98	Very high	78 Å²	78	46.7 Å²	46.7	34%	0.339	25%	0.247	S	C	.	.			trans	-103.3	126.5	170.5	-171.9	78.9	-176.4	-179	0	110.7	N235 E257 S277 E278 D279	N235-K255 WeakPolarHBondContact OD1-CA 3.23Å; N235-K255 WeakPolarHBondContact OD1-CD 3.37Å; K255-E257 WeakPolarHBondContact CE-OE1 3.49Å; K255-E257 WeakPolarHBondContact CE-OE2 3.38Å; K255-E257 IonicContact NZ-OE1 3.61Å; K255-E257 PolarHBondContact NZ-OE1 2.98Å; K255-E257 IonicContact NZ-OE2 3.99Å; K255-E257 PolarHBondContact NZ-OE2 3.05Å; K255-S277 WeakPolarHBondContact CA-OG 3.22Å; K255-S277 PolarHBondContact N-OG 3.48Å; K255-S277 WeakPolarHBondContact O-CA 3.12Å; K255-S277 PolarHBondContact O-OG 3.07Å; K255-E278 HydrophobicContact CB-CB 4.11Å; K255-E278 HydrophobicContact CG-CB 3.82Å; K255-E278 PolarHBondContact O-N 2.77Å; K255-D279 HydrophobicContact CB-CB 4.4Å
256	N	98.8	Very high	98.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.			trans	-159	98.5	173.5	-171.9	15	0	0	0	110.7	S217 L233 N235 Y259 I261 E278	S217-N256 PolarHBondContact OG-ND2 2.77Å; L233-N256 CarbonylContact C-O 3.53Å; L233-N256 WeakPolarHBondContact CA-O 3.46Å; N235-N256 PolarHBondContact N-O 3.04Å; N235-N256 PolarHBondContact OD1-N 2.83Å; N256-Y259 PolarHBondContact OD1-O 3.32Å; N256-I261 HydrophobicContact CB-CD1 4.21Å; N256-E278 PolarHBondContact OD1-OE1 2.7Å
257	E	98.6	Very high	98.4	Very high	92 Å²	92	41.5 Å²	41.5	43%	0.43	22%	0.221	S	C	.	.	S	Bend	trans	-128.2	-8.6	-178.9	-72.8	172.3	-171.7	0	0	113	N235 K255 E278	N235-E257 PolarHBondContact ND2-OE1 2.86Å; N235-E257 WeakPolarHBondContact OD1-CG 3.24Å; K255-E257 WeakPolarHBondContact CE-OE1 3.49Å; K255-E257 WeakPolarHBondContact CE-OE2 3.38Å; K255-E257 IonicContact NZ-OE1 3.61Å; K255-E257 PolarHBondContact NZ-OE1 2.98Å; K255-E257 IonicContact NZ-OE2 3.99Å; K255-E257 PolarHBondContact NZ-OE2 3.05Å; E257-E278 VanDerWaalsContact N-CD 3.33Å; E257-E278 PolarHBondContact N-OE1 2.65Å; E257-E278 PolarHBondContact N-OE2 2.96Å
258	K	98.6	Very high	98.3	Very high	132 Å²	132	41.3 Å²	41.3	57%	0.574	22%	0.218	S	C	*	.	S	Bend	trans	-132.7	-37.2	-171.7	-177.7	176.7	175.7	-168.7	0	114	E278	K258-E278 WeakPolarHBondContact CA-OE1 3.28Å; K258-E278 WeakPolarHBondContact CB-OE1 3.39Å; K258-E278 PolarHBondContact N-OE1 2.77Å
259	Y	98.8	Very high	98	Very high	68 Å²	68	39 Å²	39	27%	0.267	21%	0.212	S	C	.	.	S	Bend	trans	-106.4	149	-167.5	-64.6	-82	0	0	0	113.7	N256 I261 E278 V302 I304 L320	N256-Y259 PolarHBondContact OD1-O 3.32Å; Y259-I261 VanDerWaalsContact C-N 3.28Å; Y259-I261 PolarHBondContact O-N 2.85Å; Y259-E278 HydrophobicContact CD2-CG 3.96Å; Y259-E278 PolarHBondContact N-OE1 2.98Å; Y259-V302 HydrophobicContact CD2-CG1 3.96Å; Y259-V302 HydrophobicContact CD2-CG2 4.28Å; Y259-V302 HydrophobicContact CE2-CG1 4.37Å; Y259-V302 HydrophobicContact CE2-CG2 3.91Å; Y259-V302 HydrophobicContact CG-CG1 4.36Å; Y259-I304 HydrophobicContact CD1-CD1 4.27Å; Y259-I304 HydrophobicContact CG-CD1 4.26Å; Y259-L320 HydrophobicContact CD1-CD1 3.89Å; Y259-L320 HydrophobicContact CE1-CD1 3.42Å; Y259-L320 VanDerWaalsContact CE1-CD1 3.42Å; Y259-L320 HydrophobicContact CE2-CD1 4.12Å; Y259-L320 HydrophobicContact CG-CD1 4.41Å
260	C	98.8	Very high	97.6	Very high	10 Å²	10	37.1 Å²	37.1	7%	0.068	21%	0.209	C	C	.	.			trans	-76.3	78.2	168.8	-68.4	0	0	0	0	111.3	F132 Y190 S217	F132-C260 HydrophobicContact CE1-CB 3.61Å; F132-C260 VanDerWaalsContact CE1-SG 3.55Å; F132-C260 HydrophobicContact CZ-CB 3.62Å; Y190-C260 PolarHBondContact OH-SG 3.12Å; S217-C260 WeakPolarHBondContact O-CA 3.48Å; S217-C260 WeakPolarHBondContact O-CB 3.41Å; S217-C260 PolarHBondContact O-SG 3.11Å
261	I	98.9	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.			trans	-80.1	127.3	-178.3	-56.6	-179.8	0	0	0	110.8	F218 N256 Y259 E278 V302 V303 I304	F218-I261 WeakPolarHBondContact CB-O 3.42Å; N256-I261 HydrophobicContact CB-CD1 4.21Å; Y259-I261 VanDerWaalsContact C-N 3.28Å; Y259-I261 PolarHBondContact O-N 2.85Å; I261-E278 HydrophobicContact CD1-CG 4Å; I261-V302 HydrophobicContact CD1-CG1 4.4Å; I261-V303 WeakPolarHBondContact CG2-O 3.45Å; I261-I304 WeakPolarHBondContact CA-O 3.49Å; I261-I304 HydrophobicContact CG1-CD1 4.3Å
262	F	98.8	Very high	97.5	Very high	25 Å²	25	40.1 Å²	40.1	11%	0.11	22%	0.217	C	C	.	.			trans	-69.7	132.3	176.5	-69.3	-98.7	0	0	0	111.8	D91 F218 I304 S305 T306	D91-F262 WeakPolarHBondContact OD1-CZ 3.4Å; F218-F262 AromaticContact CD2-CD1 3.96Å; F218-F262 HydrophobicContact CD2-CD1 3.96Å; F218-F262 HydrophobicContact CD2-CE1 4.4Å; F218-F262 HydrophobicContact CD2-CG 4.38Å; F218-F262 HydrophobicContact CE2-CB 4.37Å; F218-F262 AromaticContact CE2-CD1 3.32Å; F218-F262 HydrophobicContact CE2-CD1 3.32Å; F218-F262 AromaticContact CE2-CE1 3.84Å; F218-F262 HydrophobicContact CE2-CE1 3.84Å; F218-F262 HydrophobicContact CE2-CG 4.08Å; F218-F262 AromaticContact CZ-CD1 4Å; F218-F262 HydrophobicContact CZ-CD1 4Å; F262-I304 PolarHBondContact N-O 3.25Å; F262-I304 VanDerWaalsContact N-O 3.17Å; F262-S305 WeakPolarHBondContact CD2-OG 3.21Å; F262-T306 PolarHBondContact O-OG1 2.56Å
263	A	98.8	Very high	97.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	151.8	172.5	0	0	0	0	0	112.2	F218 K220 L229 L237 V274	F218-A263 HydrophobicContact CD1-CB 4.05Å; F218-A263 HydrophobicContact CE1-CB 4.2Å; F218-A263 WeakPolarHBondContact CE1-O 3.37Å; K220-A263 VanDerWaalsContact CD-O 3.22Å; K220-A263 WeakPolarHBondContact CD-O 3.38Å; L229-A263 HydrophobicContact CD2-CB 3.71Å; L229-A263 HydrophobicContact CG-CB 4.44Å; L237-A263 HydrophobicContact CD1-CB 4.27Å; L237-A263 HydrophobicContact CD2-CB 3.57Å; A263-V274 CarbonylContact C-O 3.52Å; A263-V274 VanDerWaalsContact CA-O 3.28Å; A263-V274 WeakPolarHBondContact CA-O 3.35Å
264	N	98.9	Very high	97.6	Very high	14 Å²	14	34.3 Å²	34.3	8%	0.075	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.9	-169.4	-66	-75.3	0	0	0	113.5	K220 I273 V274 T306	K220-N264 PolarHBondContact NZ-OD1 3.33Å; N264-I273 CarbonylContact O-C 3.54Å; N264-I273 WeakPolarHBondContact O-CA 3.23Å; N264-V274 HydrophobicContact CB-CB 4.38Å; N264-V274 PolarHBondContact N-O 2.96Å; N264-V274 PolarHBondContact O-N 2.82Å; N264-T306 PolarHBondContact ND2-O 3.23Å; N264-T306 PolarHBondContact ND2-OG1 3.04Å
265	F	98.8	Very high	97.6	Very high	20 Å²	20	33.9 Å²	33.9	9%	0.088	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	113.7	163.4	-63.4	-88	0	0	0	108.5	K220 S222 P223 L229 L239 V267 W272 I273 L287	K220-F265 HydrophobicContact CD-CD2 4.42Å; K220-F265 HydrophobicContact CG-CE2 4.2Å; S222-F265 VanDerWaalsContact CA-CE2 3.45Å; P223-F265 HydrophobicContact CG-CB 4.12Å; L229-F265 HydrophobicContact CB-CE2 3.64Å; L229-F265 HydrophobicContact CB-CZ 3.57Å; L229-F265 HydrophobicContact CD2-CE2 4.21Å; L229-F265 HydrophobicContact CD2-CZ 4.36Å; L229-F265 HydrophobicContact CG-CZ 4.49Å; L239-F265 HydrophobicContact CD1-CE1 3.69Å; L239-F265 HydrophobicContact CD1-CZ 3.59Å; F265-V267 HydrophobicContact CB-CG1 4.1Å; F265-W272 WeakPolarHBondContact CA-O 3.49Å; F265-I273 HydrophobicContact CD1-CD1 3.59Å; F265-I273 HydrophobicContact CE1-CD1 3.66Å; F265-I273 HydrophobicContact CG-CD1 4.4Å; F265-L287 HydrophobicContact CD1-CD1 3.85Å; F265-L287 HydrophobicContact CE1-CD1 4.05Å
266	S	98.1	Very high	97.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.4	165.5	-176.3	0	0	0	0	108.4	G270 W272	S266-G270 VanDerWaalsContact O-O 3.14Å; S266-W272 PolarHBondContact N-O 3.46Å; S266-W272 PolarHBondContact O-N 2.76Å; S266-W272 VanDerWaalsContact O-N 3.1Å
267	V	96.4	Very high	97.6	Very high	60 Å²	60	30.1 Å²	30.1	36%	0.364	15%	0.154	S	C	.	.			trans	-129.8	-3.2	-171	-64.9	0	0	0	0	115.1	P223 F265 K271	P223-V267 HydrophobicContact CG-CG1 4.07Å; F265-V267 HydrophobicContact CB-CG1 4.1Å; V267-K271 HydrophobicContact CG1-CD 4.46Å; V267-K271 PolarHBondContact O-NZ 2.81Å
268	T	94.3	Very high	97.6	Very high	44 Å²	44	27.4 Å²	27.4	27%	0.27	14%	0.142	S	C	.	.	S	Bend	trans	-75.3	-46.6	-175.8	48.8	0	0	0	0	112.3	H309 P310 E312 N313	T268-H309 WeakPolarHBondContact CG2-O 3.34Å; T268-P310 WeakPolarHBondContact CG2-O 3.43Å; T268-E312 PolarHBondContact OG1-O 2.91Å; T268-N313 WeakPolarHBondContact CB-OD1 3.26Å; T268-N313 PolarHBondContact OG1-OD1 2.92Å
269	G	90.6	Very high	97.6	Very high	28 Å²	28	23.8 Å²	23.8	29%	0.289	13%	0.129	S	C	.	.	S	Bend	trans	-103.4	-119	171.8	0	0	0	0	0	111.3	N313 C333	G269-N313 WeakPolarHBondContact CA-OD1 3.46Å; G269-N313 PolarHBondContact N-OD1 2.83Å; G269-C333 WeakPolarHBondContact CA-OXT 3.26Å
270	G	91.3	Very high	97.6	Very high	17 Å²	17	23 Å²	23	18%	0.175	13%	0.129	C	C	.	.	S	Bend	trans	-60.3	163.9	168	0	0	0	0	0	113.7	S266 W272	S266-G270 VanDerWaalsContact O-O 3.14Å; G270-W272 VanDerWaalsContact CA-CE2 3.5Å; G270-W272 PolarHBondContact O-N 2.78Å; G270-W272 PolarHBondContact O-NE1 2.79Å
271	K	96.8	Very high	97.6	Very high	116 Å²	116	24.9 Å²	24.9	50%	0.504	14%	0.137	S	C	.	.			trans	-93.1	100.7	179.1	-56.8	-53.4	178.1	-165.1	0	109.6	V267 L287	V267-K271 HydrophobicContact CG1-CD 4.46Å; V267-K271 PolarHBondContact O-NZ 2.81Å; K271-L287 HydrophobicContact CB-CB 4.23Å; K271-L287 WeakPolarHBondContact O-CB 3.39Å; K271-L287 PolarHBondContact O-N 3.31Å
272	W	98.5	Very high	97.6	Very high	6 Å²	6	24.9 Å²	24.9	2%	0.023	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.9	-174	-39.6	119	0	0	0	112.4	P32 F265 S266 G270 V274 I284 W285 N286 V293	P32-W272 HydrophobicContact CG-CD2 4.46Å; P32-W272 HydrophobicContact CG-CZ2 4.24Å; F265-W272 WeakPolarHBondContact CA-O 3.49Å; S266-W272 PolarHBondContact N-O 3.46Å; S266-W272 PolarHBondContact O-N 2.76Å; S266-W272 VanDerWaalsContact O-N 3.1Å; G270-W272 VanDerWaalsContact CA-CE2 3.5Å; G270-W272 PolarHBondContact O-N 2.78Å; G270-W272 PolarHBondContact O-NE1 2.79Å; W272-V274 HydrophobicContact CB-CG2 4.45Å; W272-I284 HydrophobicContact CB-CG2 3.67Å; W272-I284 HydrophobicContact CD2-CG2 4.38Å; W272-I284 HydrophobicContact CG-CG2 3.9Å; W272-W285 CarbonylContact C-O 3.6Å; W272-W285 WeakPolarHBondContact CA-O 3.35Å; W272-N286 HydrophobicContact CE3-CB 4.26Å; W272-N286 HydrophobicContact CZ3-CB 3.86Å; W272-V293 HydrophobicContact CD2-CG2 4.45Å; W272-V293 HydrophobicContact CE3-CG2 3.88Å; W272-V293 HydrophobicContact CZ3-CG1 4.02Å; W272-V293 HydrophobicContact CZ3-CG2 4Å
273	I	98.9	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.4	157.8	-57.9	-56.3	0	0	0	107.3	L229 L237 Y251 N264 F265 I284 W285 L287	L229-I273 HydrophobicContact CD1-CD1 4.34Å; L229-I273 HydrophobicContact CD1-CG2 4.39Å; L229-I273 HydrophobicContact CD2-CD1 4.17Å; L229-I273 HydrophobicContact CD2-CG2 4.04Å; L237-I273 HydrophobicContact CD1-CG2 4.13Å; Y251-I273 HydrophobicContact CD1-CG1 4.36Å; Y251-I273 HydrophobicContact CD2-CG1 4.26Å; Y251-I273 HydrophobicContact CE1-CG1 3.89Å; Y251-I273 HydrophobicContact CE2-CG1 3.78Å; N264-I273 CarbonylContact O-C 3.54Å; N264-I273 WeakPolarHBondContact O-CA 3.23Å; F265-I273 HydrophobicContact CD1-CD1 3.59Å; F265-I273 HydrophobicContact CE1-CD1 3.66Å; F265-I273 HydrophobicContact CG-CD1 4.4Å; I273-I284 CarbonylContact O-C 3.59Å; I273-I284 WeakPolarHBondContact O-CA 3.33Å; I273-W285 HydrophobicContact CB-CB 4.4Å; I273-W285 HydrophobicContact CB-CE3 4.42Å; I273-W285 HydrophobicContact CG2-CE3 4.26Å; I273-W285 PolarHBondContact N-O 2.93Å; I273-W285 PolarHBondContact O-N 2.94Å; I273-L287 HydrophobicContact CD1-CD1 4Å; I273-L287 HydrophobicContact CD1-CG 4.42Å
274	V	98.9	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.2	178.7	-177.3	0	0	0	0	108.6	A263 N264 W272 V282 Y283 I284 T306 I315	A263-V274 CarbonylContact C-O 3.52Å; A263-V274 VanDerWaalsContact CA-O 3.28Å; A263-V274 WeakPolarHBondContact CA-O 3.35Å; N264-V274 HydrophobicContact CB-CB 4.38Å; N264-V274 PolarHBondContact N-O 2.96Å; N264-V274 PolarHBondContact O-N 2.82Å; W272-V274 HydrophobicContact CB-CG2 4.45Å; V274-V282 HydrophobicContact CG1-CG1 3.77Å; V274-Y283 WeakPolarHBondContact CA-O 3.28Å; V274-I284 HydrophobicContact CG2-CG1 4.33Å; V274-I284 HydrophobicContact CG2-CG2 4.38Å; V274-T306 HydrophobicContact CG1-CG2 4.48Å; V274-I315 HydrophobicContact CG1-CD1 3.97Å; V274-I315 HydrophobicContact CG1-CG2 4.33Å; V274-I315 HydrophobicContact CG2-CD1 3.97Å
275	S	98.9	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.9	174.8	-172.3	0	0	0	0	110.6	V282 Y283	S275-V282 WeakPolarHBondContact O-CA 3.47Å; S275-Y283 PolarHBondContact N-O 3.39Å; S275-Y283 PolarHBondContact O-N 3.3Å
276	G	98.9	Very high	97.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.133	C	C	.	.			trans	-72.7	179	160.5	0	0	0	0	0	111.4	M281 V303	G276-M281 CarbonylContact C-O 3.5Å; G276-V303 CarbonylContact C-O 3.55Å; G276-V303 VanDerWaalsContact CA-O 3.31Å; G276-V303 WeakPolarHBondContact CA-O 3.35Å
277	S	98.9	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.			trans	-155.7	155.3	177.7	-172.1	0	0	0	0	111.8	K255 D279 N280 M281 V303	K255-S277 WeakPolarHBondContact CA-OG 3.22Å; K255-S277 PolarHBondContact N-OG 3.48Å; K255-S277 WeakPolarHBondContact O-CA 3.12Å; K255-S277 PolarHBondContact O-OG 3.07Å; S277-D279 WeakPolarHBondContact CB-OD1 3.36Å; S277-D279 PolarHBondContact O-N 2.79Å; S277-D279 PolarHBondContact OG-OD1 3.21Å; S277-D279 VanDerWaalsContact OG-OD1 3.12Å; S277-N280 PolarHBondContact O-N 2.89Å; S277-M281 WeakPolarHBondContact CB-O 3.47Å; S277-M281 PolarHBondContact N-O 3.35Å; S277-M281 VanDerWaalsContact N-O 3.11Å; S277-V303 PolarHBondContact N-O 3.28Å; S277-V303 PolarHBondContact O-N 3.47Å
278	E	98.9	Very high	97.6	Very high	35 Å²	35	27.8 Å²	27.8	16%	0.164	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.1	174.3	-59	178.5	176.9	0	0	113.8	K255 N256 E257 K258 Y259 I261 N280 V302	K255-E278 HydrophobicContact CB-CB 4.11Å; K255-E278 HydrophobicContact CG-CB 3.82Å; K255-E278 PolarHBondContact O-N 2.77Å; N256-E278 PolarHBondContact OD1-OE1 2.7Å; E257-E278 VanDerWaalsContact N-CD 3.33Å; E257-E278 PolarHBondContact N-OE1 2.65Å; E257-E278 PolarHBondContact N-OE2 2.96Å; K258-E278 WeakPolarHBondContact CA-OE1 3.28Å; K258-E278 WeakPolarHBondContact CB-OE1 3.39Å; K258-E278 PolarHBondContact N-OE1 2.77Å; Y259-E278 HydrophobicContact CD2-CG 3.96Å; Y259-E278 PolarHBondContact N-OE1 2.98Å; I261-E278 HydrophobicContact CD1-CG 4Å; E278-N280 PolarHBondContact O-N 2.88Å; E278-N280 PolarHBondContact O-OD1 2.81Å; E278-V302 HydrophobicContact CB-CG1 4.47Å; E278-V302 HydrophobicContact CB-CG2 4.26Å; E278-V302 HydrophobicContact CG-CG1 4.09Å; E278-V302 HydrophobicContact CG-CG2 4.46Å
279	D	98.8	Very high	97.8	Very high	56 Å²	56	28.9 Å²	28.9	30%	0.299	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	14.5	172.3	71.5	2.3	0	0	0	113.3	K255 S277 M281 Y283	K255-D279 HydrophobicContact CB-CB 4.4Å; S277-D279 WeakPolarHBondContact CB-OD1 3.36Å; S277-D279 PolarHBondContact O-N 2.79Å; S277-D279 PolarHBondContact OG-OD1 3.21Å; S277-D279 VanDerWaalsContact OG-OD1 3.12Å; D279-M281 PolarHBondContact O-N 2.84Å; D279-M281 WeakPolarHBondContact OD1-CB 3.16Å; D279-M281 PolarHBondContact OD1-N 3.24Å; D279-Y283 WeakPolarHBondContact OD1-CE2 3.47Å; D279-Y283 VanDerWaalsContact OD2-CE2 3.3Å; D279-Y283 WeakPolarHBondContact OD2-CE2 3.47Å; D279-Y283 PolarHBondContact OD2-OH 2.78Å
280	N	98.8	Very high	98.2	Very high	52 Å²	52	32.4 Å²	32.4	28%	0.278	16%	0.163	S	C	.	.	S	Bend	trans	69.1	12.3	178.7	-44.3	-19.4	0	0	0	114.7	S277 E278 D301 V302	S277-N280 PolarHBondContact O-N 2.89Å; E278-N280 PolarHBondContact O-N 2.88Å; E278-N280 PolarHBondContact O-OD1 2.81Å; N280-D301 WeakPolarHBondContact CA-O 3.27Å; N280-D301 WeakPolarHBondContact CB-O 3.34Å; N280-D301 VanDerWaalsContact CG-C 3.44Å; N280-D301 WeakPolarHBondContact OD1-CA 3.35Å; N280-D301 PolarHBondContact OD1-O 2.99Å; N280-V302 PolarHBondContact OD1-N 3.47Å; N280-V302 VanDerWaalsContact OD1-N 3.14Å
281	M	98.8	Very high	98.5	Very high	48 Å²	48	37.6 Å²	37.6	24%	0.236	18%	0.182	C	C	.	.			trans	-104.5	156.4	177.4	-57	-167.6	-177.5	0	0	113	G276 S277 D279 Y283 K295 L296	G276-M281 CarbonylContact C-O 3.5Å; S277-M281 WeakPolarHBondContact CB-O 3.47Å; S277-M281 PolarHBondContact N-O 3.35Å; S277-M281 VanDerWaalsContact N-O 3.11Å; D279-M281 PolarHBondContact O-N 2.84Å; D279-M281 WeakPolarHBondContact OD1-CB 3.16Å; D279-M281 PolarHBondContact OD1-N 3.24Å; M281-Y283 HydrophobicContact CB-CD2 4.16Å; M281-Y283 HydrophobicContact CB-CE2 3.82Å; M281-K295 HydrophobicContact SD-CB 4.06Å; M281-K295 HydrophobicContact SD-CD 3.95Å; M281-L296 WeakPolarHBondContact CA-O 3.4Å
282	V	98.9	Very high	98.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.6	160.6	179.3	0	0	0	0	108.2	V274 S275 K295 L296 V303 T306	V274-V282 HydrophobicContact CG1-CG1 3.77Å; S275-V282 WeakPolarHBondContact O-CA 3.47Å; V282-K295 CarbonylContact O-C 3.56Å; V282-K295 WeakPolarHBondContact O-CA 3.27Å; V282-L296 HydrophobicContact CB-CB 3.95Å; V282-L296 HydrophobicContact CB-CD1 4Å; V282-L296 HydrophobicContact CB-CG 4Å; V282-L296 HydrophobicContact CG1-CD1 4.04Å; V282-L296 HydrophobicContact CG1-CG 4.35Å; V282-L296 PolarHBondContact N-O 3.03Å; V282-L296 PolarHBondContact O-N 2.83Å; V282-V303 HydrophobicContact CG2-CG1 3.99Å; V282-T306 HydrophobicContact CG1-CG2 4.11Å; V282-T306 HydrophobicContact CG2-CG2 4.12Å
283	Y	98.9	Very high	98.6	Very high	6 Å²	6	35.5 Å²	35.5	2%	0.024	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.3	176.7	-78.7	-109.3	0	0	0	111.1	G253 H254 V274 S275 D279 M281 W285 I292 K295	G253-Y283 WeakPolarHBondContact O-CE1 3.36Å; G253-Y283 VanDerWaalsContact O-CZ 3.32Å; G253-Y283 PolarHBondContact O-OH 2.96Å; G253-Y283 VanDerWaalsContact O-OH 3.12Å; H254-Y283 HydrophobicContact CB-CD1 4.06Å; H254-Y283 HydrophobicContact CB-CD2 3.69Å; H254-Y283 HydrophobicContact CB-CE1 4.14Å; H254-Y283 HydrophobicContact CB-CE2 3.8Å; H254-Y283 HydrophobicContact CB-CG 3.85Å; V274-Y283 WeakPolarHBondContact CA-O 3.28Å; S275-Y283 PolarHBondContact N-O 3.39Å; S275-Y283 PolarHBondContact O-N 3.3Å; D279-Y283 WeakPolarHBondContact OD1-CE2 3.47Å; D279-Y283 VanDerWaalsContact OD2-CE2 3.3Å; D279-Y283 WeakPolarHBondContact OD2-CE2 3.47Å; D279-Y283 PolarHBondContact OD2-OH 2.78Å; M281-Y283 HydrophobicContact CB-CD2 4.16Å; M281-Y283 HydrophobicContact CB-CE2 3.82Å; Y283-W285 HydrophobicContact CD1-CH2 4.04Å; Y283-W285 AromaticContact CD1-CZ2 3.67Å; Y283-W285 HydrophobicContact CD1-CZ2 3.67Å; Y283-W285 AromaticContact CG-CH2 3.7Å; Y283-W285 HydrophobicContact CG-CH2 3.7Å; Y283-W285 AromaticContact CG-CZ2 3.84Å; Y283-W285 HydrophobicContact CG-CZ2 3.84Å; Y283-W285 HydrophobicContact CG-CZ3 4.33Å; Y283-W285 WeakPolarHBondContact O-CZ3 3.28Å; Y283-I292 HydrophobicContact CD1-CD1 3.94Å; Y283-I292 HydrophobicContact CD1-CG1 4.22Å; Y283-I292 HydrophobicContact CD1-CG2 4.29Å; Y283-I292 HydrophobicContact CE1-CD1 3.88Å; Y283-K295 HydrophobicContact CD1-CD 4.28Å; Y283-K295 HydrophobicContact CD1-CG 4.11Å; Y283-K295 HydrophobicContact CE1-CD 3.66Å; Y283-K295 HydrophobicContact CE1-CG 4.01Å; Y283-K295 VanDerWaalsContact CE1-NZ 3.34Å; Y283-K295 PolarHBondContact OH-NZ 2.87Å
284	I	98.9	Very high	98.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.9	176.5	-52.7	178.8	0	0	0	108.2	P32 Y34 W272 I273 V274 V293 Q294 L296 I315	P32-I284 HydrophobicContact CG-CG2 4.16Å; Y34-I284 HydrophobicContact CD2-CD1 3.38Å; Y34-I284 HydrophobicContact CE2-CD1 3.88Å; Y34-I284 HydrophobicContact CG-CD1 4.1Å; W272-I284 HydrophobicContact CB-CG2 3.67Å; W272-I284 HydrophobicContact CD2-CG2 4.38Å; W272-I284 HydrophobicContact CG-CG2 3.9Å; I273-I284 CarbonylContact O-C 3.59Å; I273-I284 WeakPolarHBondContact O-CA 3.33Å; V274-I284 HydrophobicContact CG2-CG1 4.33Å; V274-I284 HydrophobicContact CG2-CG2 4.38Å; I284-V293 HydrophobicContact CB-CG2 4.16Å; I284-V293 HydrophobicContact CG2-CG2 3.7Å; I284-V293 VanDerWaalsContact O-CG2 3.31Å; I284-V293 WeakPolarHBondContact O-CG2 3.4Å; I284-V293 PolarHBondContact O-N 2.64Å; I284-Q294 HydrophobicContact CB-CB 4.27Å; I284-Q294 HydrophobicContact CD1-CB 4.27Å; I284-Q294 PolarHBondContact N-O 2.96Å; I284-Q294 PolarHBondContact O-N 3.07Å; I284-L296 HydrophobicContact CD1-CD1 4.2Å; I284-L296 HydrophobicContact CD1-CD2 4.26Å; I284-L296 HydrophobicContact CD1-CG 4.31Å; I284-I315 HydrophobicContact CD1-CD1 3.73Å; I284-I315 HydrophobicContact CG1-CD1 4.41Å
285	W	98.9	Very high	98.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.8	177.9	-62.1	-101.5	0	0	0	111.7	L237 Y251 T252 H254 W272 I273 Y283 L287 E291 I292	L237-W285 HydrophobicContact CD1-CH2 4.15Å; L237-W285 HydrophobicContact CD1-CZ3 4.05Å; Y251-W285 HydrophobicContact CD1-CB 3.74Å; Y251-W285 HydrophobicContact CD1-CG 4.03Å; Y251-W285 HydrophobicContact CE1-CB 4.37Å; Y251-W285 HydrophobicContact CG-CG 4.46Å; T252-W285 PolarHBondContact O-NE1 3.07Å; H254-W285 HydrophobicContact CB-CH2 3.8Å; H254-W285 HydrophobicContact CB-CZ2 3.87Å; H254-W285 AromaticContact CG-CH2 3.73Å; H254-W285 AromaticContact CG-CZ2 3.92Å; H254-W285 AromaticContact ND1-CH2 3.56Å; H254-W285 AromaticContact ND1-CZ2 3.48Å; H254-W285 WeakPolarHBondContact ND1-CZ2 3.38Å; W272-W285 CarbonylContact C-O 3.6Å; W272-W285 WeakPolarHBondContact CA-O 3.35Å; I273-W285 HydrophobicContact CB-CB 4.4Å; I273-W285 HydrophobicContact CB-CE3 4.42Å; I273-W285 HydrophobicContact CG2-CE3 4.26Å; I273-W285 PolarHBondContact N-O 2.93Å; I273-W285 PolarHBondContact O-N 2.94Å; Y283-W285 HydrophobicContact CD1-CH2 4.04Å; Y283-W285 AromaticContact CD1-CZ2 3.67Å; Y283-W285 HydrophobicContact CD1-CZ2 3.67Å; Y283-W285 AromaticContact CG-CH2 3.7Å; Y283-W285 HydrophobicContact CG-CH2 3.7Å; Y283-W285 AromaticContact CG-CZ2 3.84Å; Y283-W285 HydrophobicContact CG-CZ2 3.84Å; Y283-W285 HydrophobicContact CG-CZ3 4.33Å; Y283-W285 WeakPolarHBondContact O-CZ3 3.28Å; W285-L287 PolarHBondContact O-N 3.09Å; W285-E291 CarbonylContact C-O 3.54Å; W285-E291 VanDerWaalsContact CA-O 3.25Å; W285-E291 WeakPolarHBondContact CA-O 3.17Å; W285-I292 VanDerWaalsContact CD1-CG1 3.46Å; W285-I292 HydrophobicContact CG-CG1 4.33Å
286	N	98.4	Very high	98.6	Very high	27 Å²	27	42.4 Å²	42.4	14%	0.144	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	122.8	163	-173.3	-60.4	0	0	0	110.3	W272 Q288 T289 K290 E291 V293	W272-N286 HydrophobicContact CE3-CB 4.26Å; W272-N286 HydrophobicContact CZ3-CB 3.86Å; N286-Q288 PolarHBondContact O-N 2.88Å; N286-Q288 WeakPolarHBondContact OD1-CA 3.18Å; N286-Q288 PolarHBondContact OD1-N 3.48Å; N286-T289 WeakPolarHBondContact CB-OG1 3.3Å; N286-T289 PolarHBondContact OD1-N 3.1Å; N286-K290 VanDerWaalsContact O-CA 3.25Å; N286-K290 WeakPolarHBondContact O-CA 3.42Å; N286-K290 PolarHBondContact O-N 3.5Å; N286-E291 PolarHBondContact N-O 2.61Å; N286-V293 HydrophobicContact CB-CG1 3.89Å
287	L	98	Very high	98.5	Very high	30 Å²	30	49.9 Å²	49.9	16%	0.157	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.1	-177.5	-177.8	147.1	0	0	0	112.8	Y251 F265 K271 I273 W285	Y251-L287 PolarHBondContact OH-O 2.93Å; F265-L287 HydrophobicContact CD1-CD1 3.85Å; F265-L287 HydrophobicContact CE1-CD1 4.05Å; K271-L287 HydrophobicContact CB-CB 4.23Å; K271-L287 WeakPolarHBondContact O-CB 3.39Å; K271-L287 PolarHBondContact O-N 3.31Å; I273-L287 HydrophobicContact CD1-CD1 4Å; I273-L287 HydrophobicContact CD1-CG 4.42Å; W285-L287 PolarHBondContact O-N 3.09Å
288	Q	97	Very high	98.5	Very high	118 Å²	118	51.4 Å²	51.4	55%	0.551	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-49.5	-176.6	-68.7	-62.6	-13.7	0	0	113.5	K249 N286	K249-Q288 PolarHBondContact NZ-O 2.81Å; N286-Q288 PolarHBondContact O-N 2.88Å; N286-Q288 WeakPolarHBondContact OD1-CA 3.18Å; N286-Q288 PolarHBondContact OD1-N 3.48Å
289	T	97.8	Very high	98.5	Very high	67 Å²	67	50.4 Å²	50.4	41%	0.411	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-20.7	-176.2	72.1	0	0	0	0	112.4	N286 E291	N286-T289 WeakPolarHBondContact CB-OG1 3.3Å; N286-T289 PolarHBondContact OD1-N 3.1Å; T289-E291 PolarHBondContact O-N 2.97Å; T289-E291 PolarHBondContact OG1-N 3.05Å; T289-E291 PolarHBondContact OG1-OE2 3.42Å
290	K	98.4	Very high	98.5	Very high	102 Å²	102	52.3 Å²	52.3	44%	0.443	27%	0.268	S	S	.	.			trans	68.6	5.8	-176.6	-43.8	156.7	-71.2	170.1	0	113.8	K249 T250 Y251 N286	K249-K290 HydrophobicContact CB-CD 4.45Å; K249-K290 HydrophobicContact CB-CG 4.3Å; K249-K290 HydrophobicContact CD-CD 4.1Å; K249-K290 HydrophobicContact CD-CG 4.08Å; T250-K290 WeakPolarHBondContact O-CD 3.4Å; Y251-K290 HydrophobicContact CD1-CB 3.93Å; Y251-K290 HydrophobicContact CD1-CG 4.26Å; Y251-K290 HydrophobicContact CE1-CB 4.1Å; Y251-K290 HydrophobicContact CE1-CG 4.03Å; N286-K290 VanDerWaalsContact O-CA 3.25Å; N286-K290 WeakPolarHBondContact O-CA 3.42Å; N286-K290 PolarHBondContact O-N 3.5Å
291	E	98.3	Very high	98.5	Very high	126 Å²	126	50.9 Å²	50.9	59%	0.589	26%	0.26	S	S	*	.			trans	-73.9	140.6	178.2	-64.9	174.5	155.4	0	0	110.2	W285 N286 T289 V293	W285-E291 CarbonylContact C-O 3.54Å; W285-E291 VanDerWaalsContact CA-O 3.25Å; W285-E291 WeakPolarHBondContact CA-O 3.17Å; N286-E291 PolarHBondContact N-O 2.61Å; T289-E291 PolarHBondContact O-N 2.97Å; T289-E291 PolarHBondContact OG1-N 3.05Å; T289-E291 PolarHBondContact OG1-OE2 3.42Å; E291-V293 PolarHBondContact O-N 3.24Å
292	I	98.7	Very high	98.5	Very high	58 Å²	58	49.1 Å²	49.1	30%	0.297	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	115.7	167.4	-62.2	164.1	0	0	0	107.2	Y283 W285 K295	Y283-I292 HydrophobicContact CD1-CD1 3.94Å; Y283-I292 HydrophobicContact CD1-CG1 4.22Å; Y283-I292 HydrophobicContact CD1-CG2 4.29Å; Y283-I292 HydrophobicContact CE1-CD1 3.88Å; W285-I292 VanDerWaalsContact CD1-CG1 3.46Å; W285-I292 HydrophobicContact CG-CG1 4.33Å; I292-K295 HydrophobicContact CG2-CG 3.83Å
293	V	98.4	Very high	98.5	Very high	19 Å²	19	49 Å²	49	12%	0.115	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-25	179.3	-65.9	0	0	0	0	112.2	K31 P32 W272 I284 N286 E291	K31-V293 HydrophobicContact CG-CB 4.29Å; K31-V293 HydrophobicContact CG-CG1 4.48Å; P32-V293 HydrophobicContact CG-CG2 3.82Å; W272-V293 HydrophobicContact CD2-CG2 4.45Å; W272-V293 HydrophobicContact CE3-CG2 3.88Å; W272-V293 HydrophobicContact CZ3-CG1 4.02Å; W272-V293 HydrophobicContact CZ3-CG2 4Å; I284-V293 HydrophobicContact CB-CG2 4.16Å; I284-V293 HydrophobicContact CG2-CG2 3.7Å; I284-V293 VanDerWaalsContact O-CG2 3.31Å; I284-V293 WeakPolarHBondContact O-CG2 3.4Å; I284-V293 PolarHBondContact O-N 2.64Å; N286-V293 HydrophobicContact CB-CG1 3.89Å; E291-V293 PolarHBondContact O-N 3.24Å
294	Q	98.6	Very high	98.5	Very high	39 Å²	39	49.5 Å²	49.5	18%	0.182	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	147.5	176.6	-156.5	178.9	-0.4	0	0	111.1	P32 Y34 I284 L296	P32-Q294 HydrophobicContact CG-CB 4.47Å; P32-Q294 PolarHBondContact O-OE1 3.41Å; P32-Q294 VanDerWaalsContact O-OE1 3.11Å; Y34-Q294 PolarHBondContact O-NE2 3.36Å; I284-Q294 HydrophobicContact CB-CB 4.27Å; I284-Q294 HydrophobicContact CD1-CB 4.27Å; I284-Q294 PolarHBondContact N-O 2.96Å; I284-Q294 PolarHBondContact O-N 3.07Å; Q294-L296 VanDerWaalsContact CD-CD2 3.48Å; Q294-L296 HydrophobicContact CG-CD2 3.81Å
295	K	98.7	Very high	98.5	Very high	100 Å²	100	49.5 Å²	49.5	44%	0.435	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.3	166.1	-58	-171.4	-174.7	-160.9	0	108.5	M281 V282 Y283 I292	M281-K295 HydrophobicContact SD-CB 4.06Å; M281-K295 HydrophobicContact SD-CD 3.95Å; V282-K295 CarbonylContact O-C 3.56Å; V282-K295 WeakPolarHBondContact O-CA 3.27Å; Y283-K295 HydrophobicContact CD1-CD 4.28Å; Y283-K295 HydrophobicContact CD1-CG 4.11Å; Y283-K295 HydrophobicContact CE1-CD 3.66Å; Y283-K295 HydrophobicContact CE1-CG 4.01Å; Y283-K295 VanDerWaalsContact CE1-NZ 3.34Å; Y283-K295 PolarHBondContact OH-NZ 2.87Å; I292-K295 HydrophobicContact CG2-CG 3.83Å
296	L	98.8	Very high	98.5	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.8	179.4	-39.8	-179	0	0	0	109.1	M281 V282 I284 Q294 W329	M281-L296 WeakPolarHBondContact CA-O 3.4Å; V282-L296 HydrophobicContact CB-CB 3.95Å; V282-L296 HydrophobicContact CB-CD1 4Å; V282-L296 HydrophobicContact CB-CG 4Å; V282-L296 HydrophobicContact CG1-CD1 4.04Å; V282-L296 HydrophobicContact CG1-CG 4.35Å; V282-L296 PolarHBondContact N-O 3.03Å; V282-L296 PolarHBondContact O-N 2.83Å; I284-L296 HydrophobicContact CD1-CD1 4.2Å; I284-L296 HydrophobicContact CD1-CD2 4.26Å; I284-L296 HydrophobicContact CD1-CG 4.31Å; Q294-L296 VanDerWaalsContact CD-CD2 3.48Å; Q294-L296 HydrophobicContact CG-CD2 3.81Å; L296-W329 HydrophobicContact CB-CD2 4.23Å; L296-W329 HydrophobicContact CB-CE3 3.94Å; L296-W329 HydrophobicContact CB-CH2 3.94Å; L296-W329 HydrophobicContact CB-CZ2 4.21Å; L296-W329 HydrophobicContact CB-CZ3 3.79Å; L296-W329 HydrophobicContact CD1-CB 4.07Å; L296-W329 HydrophobicContact CD1-CD2 3.64Å; L296-W329 HydrophobicContact CD1-CE3 3.92Å; L296-W329 HydrophobicContact CD1-CG 3.69Å; L296-W329 HydrophobicContact CG-CE3 4.39Å
297	Q	98.6	Very high	98.5	Very high	157 Å²	157	48.5 Å²	48.5	73%	0.734	25%	0.249	S	C	*	.			trans	-102.6	140.2	177.5	-175	178.1	3.1	0	0	109.9	W329	Q297-W329 WeakPolarHBondContact O-CH2 3.43Å
298	G	98	Very high	98.6	Very high	32 Å²	32	48.2 Å²	48.2	33%	0.33	25%	0.25	S	S	.	.			trans	160.1	-16.4	170.9	0	0	0	0	0	115.2	K327	G298-K327 VanDerWaalsContact C-CE 3.45Å; G298-K327 WeakPolarHBondContact O-CE 3.47Å; G298-K327 PolarHBondContact O-NZ 3.43Å; G298-K327 VanDerWaalsContact O-NZ 3.13Å
299	H	98.8	Very high	98.6	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.065	23%	0.225	C	C	.	.			trans	-80.2	154.4	170.1	-77.5	-69.4	0	0	0	111.4	V303 S317 A319 D323 T325	H299-V303 HydrophobicContact CB-CG2 3.86Å; H299-S317 PolarHBondContact CD2-OG 2.91Å; H299-S317 PolarHBondContact NE2-O 2.95Å; H299-S317 PolarHBondContact NE2-OG 3.12Å; H299-A319 HydrophobicContact CB-CB 4.15Å; H299-A319 WeakPolarHBondContact ND1-CB 3.45Å; H299-D323 WeakPolarHBondContact CA-OD2 3.35Å; H299-D323 WeakPolarHBondContact CB-OD2 3.35Å; H299-D323 IonicContact CE1-OD1 2.7Å; H299-D323 IonicContact CG-OD2 3.37Å; H299-D323 IonicContact ND1-OD1 2.65Å; H299-D323 PolarHBondContact ND1-OD1 3.34Å; H299-D323 IonicContact ND1-OD2 3.95Å; H299-D323 PolarHBondContact ND1-OD2 2.59Å; H299-T325 PolarHBondContact CE1-O 3.04Å
300	T	98.6	Very high	98.7	Very high	96 Å²	96	42.2 Å²	42.2	59%	0.589	22%	0.222	S	C	*	.	S	Bend	trans	-111.3	4.7	-178.9	58.6	0	0	0	0	113.5	D323	T300-D323 PolarHBondContact N-OD2 3.24Å; T300-D323 WeakPolarHBondContact OG1-CB 3.45Å; T300-D323 PolarHBondContact OG1-OD2 2.81Å
301	D	98.8	Very high	98.7	Very high	22 Å²	22	41.4 Å²	41.4	12%	0.118	23%	0.226	C	C	.	.	S	Bend	trans	-148.4	174	175	-154.4	-15.6	0	0	0	109.2	N280 V303 L320 E321 N322 D323	N280-D301 WeakPolarHBondContact CA-O 3.27Å; N280-D301 WeakPolarHBondContact CB-O 3.34Å; N280-D301 VanDerWaalsContact CG-C 3.44Å; N280-D301 WeakPolarHBondContact OD1-CA 3.35Å; N280-D301 PolarHBondContact OD1-O 2.99Å; D301-V303 PolarHBondContact O-N 2.9Å; D301-L320 HydrophobicContact CB-CB 4.4Å; D301-E321 PolarHBondContact OD2-N 2.95Å; D301-N322 HydrophobicContact CB-CB 4.03Å; D301-N322 VanDerWaalsContact OD2-CB 3.24Å; D301-N322 WeakPolarHBondContact OD2-CB 3.11Å; D301-N322 PolarHBondContact OD2-N 2.81Å; D301-N322 PolarHBondContact OD2-ND2 2.85Å; D301-D323 HydrophobicContact CB-CB 3.8Å
302	V	98.9	Very high	98.7	Very high	11 Å²	11	39.2 Å²	39.2	7%	0.067	22%	0.215	C	C	.	.			trans	-48	127.4	-180	175.1	0	0	0	0	110.3	Y259 I261 E278 N280 I304 A319 L320	Y259-V302 HydrophobicContact CD2-CG1 3.96Å; Y259-V302 HydrophobicContact CD2-CG2 4.28Å; Y259-V302 HydrophobicContact CE2-CG1 4.37Å; Y259-V302 HydrophobicContact CE2-CG2 3.91Å; Y259-V302 HydrophobicContact CG-CG1 4.36Å; I261-V302 HydrophobicContact CD1-CG1 4.4Å; E278-V302 HydrophobicContact CB-CG1 4.47Å; E278-V302 HydrophobicContact CB-CG2 4.26Å; E278-V302 HydrophobicContact CG-CG1 4.09Å; E278-V302 HydrophobicContact CG-CG2 4.46Å; N280-V302 PolarHBondContact OD1-N 3.47Å; N280-V302 VanDerWaalsContact OD1-N 3.14Å; V302-I304 PolarHBondContact O-N 2.81Å; V302-I304 VanDerWaalsContact O-N 3.16Å; V302-A319 WeakPolarHBondContact O-CA 3.48Å; V302-A319 WeakPolarHBondContact O-CB 3.3Å; V302-L320 HydrophobicContact CB-CD1 3.66Å; V302-L320 HydrophobicContact CB-CG 3.94Å; V302-L320 HydrophobicContact CG1-CD1 4.04Å; V302-L320 HydrophobicContact CG1-CG 4.38Å; V302-L320 HydrophobicContact CG2-CD1 4.11Å; V302-L320 PolarHBondContact O-N 3.35Å; V302-L320 VanDerWaalsContact O-N 3.11Å
303	V	98.9	Very high	98.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	95.4	173.3	-176.1	0	0	0	0	108	I261 G276 S277 V282 H299 D301 T306 A318	I261-V303 WeakPolarHBondContact CG2-O 3.45Å; G276-V303 CarbonylContact C-O 3.55Å; G276-V303 VanDerWaalsContact CA-O 3.31Å; G276-V303 WeakPolarHBondContact CA-O 3.35Å; S277-V303 PolarHBondContact N-O 3.28Å; S277-V303 PolarHBondContact O-N 3.47Å; V282-V303 HydrophobicContact CG2-CG1 3.99Å; H299-V303 HydrophobicContact CB-CG2 3.86Å; D301-V303 PolarHBondContact O-N 2.9Å; V303-T306 HydrophobicContact CG1-CG2 4.05Å; V303-A318 CarbonylContact C-O 3.55Å; V303-A318 WeakPolarHBondContact CA-O 3.48Å
304	I	98.9	Very high	98.7	Very high	15 Å²	15	37.1 Å²	37.1	8%	0.077	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-30.9	-174.4	-172.4	62.2	0	0	0	112.8	V47 Y259 I261 F262 V302 A318 L320	V47-I304 WeakPolarHBondContact O-CG2 3.21Å; Y259-I304 HydrophobicContact CD1-CD1 4.27Å; Y259-I304 HydrophobicContact CG-CD1 4.26Å; I261-I304 WeakPolarHBondContact CA-O 3.49Å; I261-I304 HydrophobicContact CG1-CD1 4.3Å; F262-I304 PolarHBondContact N-O 3.25Å; F262-I304 VanDerWaalsContact N-O 3.17Å; V302-I304 PolarHBondContact O-N 2.81Å; V302-I304 VanDerWaalsContact O-N 3.16Å; I304-A318 PolarHBondContact N-O 3.28Å; I304-L320 HydrophobicContact CB-CD2 3.71Å; I304-L320 HydrophobicContact CB-CG 4.18Å; I304-L320 HydrophobicContact CG1-CD2 4.02Å; I304-L320 HydrophobicContact CG2-CD2 3.8Å; I304-L320 HydrophobicContact CG2-CG 4.48Å
305	S	98.9	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.1	-174.2	-167	0	0	0	0	111.5	V50 F262 S317 A318	V50-S305 PolarHBondContact N-OG 3.33Å; V50-S305 VanDerWaalsContact N-OG 3.14Å; F262-S305 WeakPolarHBondContact CD2-OG 3.21Å; S305-S317 CarbonylContact O-C 3.47Å; S305-S317 WeakPolarHBondContact O-CA 3.39Å; S305-A318 PolarHBondContact N-O 2.58Å; S305-A318 PolarHBondContact O-N 3.09Å
306	T	98.9	Very high	98.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.5	168.2	60.2	0	0	0	0	109.4	F262 N264 V274 V282 V303 A316	F262-T306 PolarHBondContact O-OG1 2.56Å; N264-T306 PolarHBondContact ND2-O 3.23Å; N264-T306 PolarHBondContact ND2-OG1 3.04Å; V274-T306 HydrophobicContact CG1-CG2 4.48Å; V282-T306 HydrophobicContact CG1-CG2 4.11Å; V282-T306 HydrophobicContact CG2-CG2 4.12Å; V303-T306 HydrophobicContact CG1-CG2 4.05Å; T306-A316 CarbonylContact C-O 3.56Å; T306-A316 WeakPolarHBondContact CA-O 3.16Å
307	A	98.9	Very high	98.7	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.041	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.8	170.8	0	0	0	0	0	110.1	V50 F52 I315 A316	V50-A307 HydrophobicContact CG2-CB 4.32Å; V50-A307 WeakPolarHBondContact O-CB 3.31Å; F52-A307 HydrophobicContact CD2-CB 3.89Å; F52-A307 HydrophobicContact CE2-CB 4.19Å; A307-I315 CarbonylContact O-C 3.6Å; A307-I315 WeakPolarHBondContact O-CA 3.34Å; A307-A316 PolarHBondContact N-O 3.41Å; A307-A316 PolarHBondContact O-N 2.7Å
308	C	98.8	Very high	98.7	Very high	25 Å²	25	22.8 Å²	22.8	17%	0.169	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.2	172.6	-59.5	0	0	0	0	109
309	H	98.9	Very high	98.8	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.019	12%	0.123	C	C	.	.			trans	-64.2	144.6	176.9	-171.9	-85.9	0	0	0	110.8	F52 G56 Y74 T268 T311 E312 I314	F52-H309 AromaticContact CD1-CD2 3.65Å; F52-H309 HydrophobicContact CD2-CB 4.12Å; F52-H309 AromaticContact CE1-CD2 3.82Å; F52-H309 HydrophobicContact CE2-CB 4.07Å; F52-H309 HydrophobicContact CG-CB 4.36Å; F52-H309 HydrophobicContact CZ-CB 4.28Å; G56-H309 VanDerWaalsContact CA-NE2 3.3Å; G56-H309 WeakPolarHBondContact CA-NE2 3.21Å; G56-H309 PolarHBondContact O-NE2 3.08Å; Y74-H309 AromaticContact CE1-CE1 3.9Å; Y74-H309 AromaticContact CE1-NE2 3.73Å; Y74-H309 AromaticContact CZ-CE1 3.96Å; Y74-H309 AromaticContact CZ-NE2 3.74Å; Y74-H309 PolarHBondContact OH-CE1 2.99Å; T268-H309 WeakPolarHBondContact CG2-O 3.34Å; H309-T311 VanDerWaalsContact C-N 3.31Å; H309-T311 PolarHBondContact CE1-OG1 3.06Å; H309-T311 PolarHBondContact ND1-N 3.5Å; H309-T311 PolarHBondContact ND1-OG1 3.37Å; H309-T311 PolarHBondContact O-N 3.11Å; H309-E312 HydrophobicContact CB-CB 4.43Å; H309-E312 WeakPolarHBondContact CB-O 3.35Å; H309-E312 WeakPolarHBondContact ND1-CB 3.27Å; H309-E312 PolarHBondContact ND1-N 3.14Å; H309-I314 HydrophobicContact CB-CB 3.78Å; H309-I314 WeakPolarHBondContact CB-O 3.44Å; H309-I314 PolarHBondContact N-O 2.91Å
310	P	98.3	Very high	98.8	Very high	55 Å²	55	21.7 Å²	21.7	36%	0.357	13%	0.125	S	C	.	.	S	Bend	trans	-65.6	-30.3	-173.7	24.1	-35.8	0	0	0	114.2	T268	T268-P310 WeakPolarHBondContact CG2-O 3.43Å
311	T	98.1	Very high	98.7	Very high	85 Å²	85	21 Å²	21	52%	0.521	12%	0.115	S	C	.	.	S	Bend	trans	-127.6	-15.9	-171.9	56.4	0	0	0	0	115.1	H309	H309-T311 VanDerWaalsContact C-N 3.31Å; H309-T311 PolarHBondContact CE1-OG1 3.06Å; H309-T311 PolarHBondContact ND1-N 3.5Å; H309-T311 PolarHBondContact ND1-OG1 3.37Å; H309-T311 PolarHBondContact O-N 3.11Å
312	E	98.4	Very high	98.7	Very high	79 Å²	79	25.9 Å²	25.9	37%	0.369	14%	0.142	S	C	.	.	S	Bend	trans	-120.5	157.6	-172.5	-64.8	-63.2	138.4	0	0	109.5	Y74 T268 H309 I314	Y74-E312 HydrophobicContact CE1-CG 3.97Å; T268-E312 PolarHBondContact OG1-O 2.91Å; H309-E312 HydrophobicContact CB-CB 4.43Å; H309-E312 WeakPolarHBondContact CB-O 3.35Å; H309-E312 WeakPolarHBondContact ND1-CB 3.27Å; H309-E312 PolarHBondContact ND1-N 3.14Å; E312-I314 HydrophobicContact CB-CD1 3.9Å; E312-I314 HydrophobicContact CB-CG1 3.94Å; E312-I314 HydrophobicContact CG-CD1 4.43Å; E312-I314 PolarHBondContact O-N 3.34Å
313	N	98.4	Very high	98.7	Very high	24 Å²	24	26.1 Å²	26.1	13%	0.128	14%	0.143	C	C	.	.	S	Bend	trans	-78.5	62.5	173.7	-63.3	-29.2	0	0	0	110.8	Y34 T268 G269 K330 S331 C333	Y34-N313 VanDerWaalsContact CE1-O 3.23Å; Y34-N313 WeakPolarHBondContact CE1-O 3.45Å; T268-N313 WeakPolarHBondContact CB-OD1 3.26Å; T268-N313 PolarHBondContact OG1-OD1 2.92Å; G269-N313 WeakPolarHBondContact CA-OD1 3.46Å; G269-N313 PolarHBondContact N-OD1 2.83Å; N313-K330 WeakPolarHBondContact O-CA 3.49Å; N313-S331 WeakPolarHBondContact CB-O 3.33Å; N313-S331 PolarHBondContact O-N 3Å; N313-C333 PolarHBondContact ND2-O 3.22Å; N313-C333 PolarHBondContact ND2-OXT 3.46Å
314	I	98.8	Very high	98.6	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.051	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.5	178	-58.5	170.6	0	0	0	109.2	F52 Y74 H309 E312 L328 W329 K330	F52-I314 HydrophobicContact CE1-CG2 4.45Å; F52-I314 HydrophobicContact CZ-CG2 3.8Å; Y74-I314 HydrophobicContact CD1-CD1 4.07Å; Y74-I314 HydrophobicContact CE1-CD1 4.45Å; H309-I314 HydrophobicContact CB-CB 3.78Å; H309-I314 WeakPolarHBondContact CB-O 3.44Å; H309-I314 PolarHBondContact N-O 2.91Å; E312-I314 HydrophobicContact CB-CD1 3.9Å; E312-I314 HydrophobicContact CB-CG1 3.94Å; E312-I314 HydrophobicContact CG-CD1 4.43Å; E312-I314 PolarHBondContact O-N 3.34Å; I314-L328 HydrophobicContact CG2-CD2 4.32Å; I314-W329 CarbonylContact C-O 3.43Å; I314-W329 VanDerWaalsContact CA-O 3.24Å; I314-W329 WeakPolarHBondContact CA-O 3.21Å; I314-K330 HydrophobicContact CG1-CB 4.47Å; I314-K330 HydrophobicContact CG1-CD 4.46Å; I314-K330 HydrophobicContact CG1-CG 4.15Å
315	I	98.9	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.3	170.8	-68.5	167.1	0	0	0	108.2	Y34 V274 I284 A307 L328 W329	Y34-I315 HydrophobicContact CD1-CB 4.37Å; Y34-I315 HydrophobicContact CD1-CD1 3.84Å; Y34-I315 HydrophobicContact CD1-CG1 4.12Å; Y34-I315 HydrophobicContact CD2-CD1 3.94Å; Y34-I315 HydrophobicContact CE1-CB 4.18Å; Y34-I315 HydrophobicContact CE1-CD1 3.55Å; Y34-I315 HydrophobicContact CE1-CG1 3.58Å; Y34-I315 HydrophobicContact CE2-CD1 3.67Å; Y34-I315 HydrophobicContact CE2-CG1 4.5Å; Y34-I315 HydrophobicContact CG-CD1 4.03Å; Y34-I315 VanDerWaalsContact CZ-CD1 3.47Å; V274-I315 HydrophobicContact CG1-CD1 3.97Å; V274-I315 HydrophobicContact CG1-CG2 4.33Å; V274-I315 HydrophobicContact CG2-CD1 3.97Å; I284-I315 HydrophobicContact CD1-CD1 3.73Å; I284-I315 HydrophobicContact CG1-CD1 4.41Å; A307-I315 CarbonylContact O-C 3.6Å; A307-I315 WeakPolarHBondContact O-CA 3.34Å; I315-L328 WeakPolarHBondContact O-CA 3.49Å; I315-W329 HydrophobicContact CB-CB 4.36Å; I315-W329 PolarHBondContact N-O 3.34Å; I315-W329 VanDerWaalsContact O-CD1 3.31Å; I315-W329 PolarHBondContact O-N 2.92Å
316	A	98.9	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.3	161.5	0	0	0	0	0	108.7	V50 F52 L59 T306 A307 K327 L328	V50-A316 HydrophobicContact CG2-CB 4.17Å; F52-A316 HydrophobicContact CE2-CB 3.73Å; F52-A316 HydrophobicContact CZ-CB 3.7Å; L59-A316 HydrophobicContact CD1-CB 3.77Å; L59-A316 HydrophobicContact CD2-CB 3.82Å; L59-A316 HydrophobicContact CG-CB 4.49Å; T306-A316 CarbonylContact C-O 3.56Å; T306-A316 WeakPolarHBondContact CA-O 3.16Å; A307-A316 PolarHBondContact N-O 3.41Å; A307-A316 PolarHBondContact O-N 2.7Å; A316-K327 CarbonylContact C-O 3.43Å; A316-K327 WeakPolarHBondContact CA-O 3.38Å; A316-L328 HydrophobicContact CB-CD2 3.77Å
317	S	98.9	Very high	98.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.1	170.3	63.5	0	0	0	0	110.7	H299 S305 I326 K327 W329	H299-S317 PolarHBondContact CD2-OG 2.91Å; H299-S317 PolarHBondContact NE2-O 2.95Å; H299-S317 PolarHBondContact NE2-OG 3.12Å; S305-S317 CarbonylContact O-C 3.47Å; S305-S317 WeakPolarHBondContact O-CA 3.39Å; S317-I326 CarbonylContact O-C 3.52Å; S317-I326 WeakPolarHBondContact O-CA 3.25Å; S317-I326 WeakPolarHBondContact O-CG2 3.25Å; S317-K327 PolarHBondContact N-O 3.4Å; S317-K327 PolarHBondContact O-N 3.2Å; S317-W329 PolarHBondContact OG-NE1 2.84Å
318	A	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.6	-178.8	0	0	0	0	0	111.2	V47 V50 V303 I304 S305 I326	V47-A318 HydrophobicContact CB-CB 3.9Å; V47-A318 HydrophobicContact CG1-CB 3.56Å; V50-A318 HydrophobicContact CG1-CB 3.66Å; V50-A318 HydrophobicContact CG2-CB 4.19Å; V303-A318 CarbonylContact C-O 3.55Å; V303-A318 WeakPolarHBondContact CA-O 3.48Å; I304-A318 PolarHBondContact N-O 3.28Å; S305-A318 PolarHBondContact N-O 2.58Å; S305-A318 PolarHBondContact O-N 3.09Å; A318-I326 HydrophobicContact CB-CG1 3.93Å
319	A	98.8	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	165.4	-172.7	0	0	0	0	0	113.9	V47 H299 V302 D323 T325	V47-A319 PolarHBondContact N-O 3.02Å; H299-A319 HydrophobicContact CB-CB 4.15Å; H299-A319 WeakPolarHBondContact ND1-CB 3.45Å; V302-A319 WeakPolarHBondContact O-CA 3.48Å; V302-A319 WeakPolarHBondContact O-CB 3.3Å; A319-D323 HydrophobicContact CB-CB 3.6Å; A319-T325 PolarHBondContact N-O 2.97Å
320	L	98.7	Very high	98.6	Very high	23 Å²	23	34.3 Å²	34.3	12%	0.12	18%	0.176	C	C	.	.			trans	-74.6	-167	-175.6	-63.5	-172.3	0	0	0	113.7	A46 Y259 D301 V302 I304 N322 D323 K324	A46-L320 HydrophobicContact CB-CB 4.41Å; A46-L320 HydrophobicContact CB-CD2 4.14Å; Y259-L320 HydrophobicContact CD1-CD1 3.89Å; Y259-L320 HydrophobicContact CE1-CD1 3.42Å; Y259-L320 VanDerWaalsContact CE1-CD1 3.42Å; Y259-L320 HydrophobicContact CE2-CD1 4.12Å; Y259-L320 HydrophobicContact CG-CD1 4.41Å; D301-L320 HydrophobicContact CB-CB 4.4Å; V302-L320 HydrophobicContact CB-CD1 3.66Å; V302-L320 HydrophobicContact CB-CG 3.94Å; V302-L320 HydrophobicContact CG1-CD1 4.04Å; V302-L320 HydrophobicContact CG1-CG 4.38Å; V302-L320 HydrophobicContact CG2-CD1 4.11Å; V302-L320 PolarHBondContact O-N 3.35Å; V302-L320 VanDerWaalsContact O-N 3.11Å; I304-L320 HydrophobicContact CB-CD2 3.71Å; I304-L320 HydrophobicContact CB-CG 4.18Å; I304-L320 HydrophobicContact CG1-CD2 4.02Å; I304-L320 HydrophobicContact CG2-CD2 3.8Å; I304-L320 HydrophobicContact CG2-CG 4.48Å; L320-N322 VanDerWaalsContact C-N 3.33Å; L320-N322 PolarHBondContact O-N 2.74Å; L320-D323 PolarHBondContact O-N 2.78Å; L320-K324 PolarHBondContact O-N 3.18Å
321	E	97.7	Very high	98.6	Very high	81 Å²	81	31.8 Å²	31.8	38%	0.379	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31	-161.5	-169.3	64.3	-146	0	0	115.3	K45 A46 D301 D323 K324	K45-E321 VanDerWaalsContact CA-OE2 3.32Å; K45-E321 WeakPolarHBondContact CA-OE2 3.49Å; K45-E321 WeakPolarHBondContact CB-OE2 3.37Å; A46-E321 HydrophobicContact CB-CB 4.23Å; A46-E321 PolarHBondContact N-OE2 3.31Å; D301-E321 PolarHBondContact OD2-N 2.95Å; E321-D323 VanDerWaalsContact C-N 3.31Å; E321-K324 VanDerWaalsContact O-CD 3.24Å; E321-K324 WeakPolarHBondContact O-CD 3.5Å; E321-K324 VanDerWaalsContact O-CE 3.26Å; E321-K324 WeakPolarHBondContact O-CE 3.14Å; E321-K324 WeakPolarHBondContact O-CG 3.44Å
322	N	97.9	Very high	98.3	Very high	126 Å²	126	34 Å²	34	67%	0.674	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.2	179.3	-58.2	-57	0	0	0	112.7	D301 L320	D301-N322 HydrophobicContact CB-CB 4.03Å; D301-N322 VanDerWaalsContact OD2-CB 3.24Å; D301-N322 WeakPolarHBondContact OD2-CB 3.11Å; D301-N322 PolarHBondContact OD2-N 2.81Å; D301-N322 PolarHBondContact OD2-ND2 2.85Å; L320-N322 VanDerWaalsContact C-N 3.33Å; L320-N322 PolarHBondContact O-N 2.74Å
323	D	98.6	Very high	97.3	Very high	16 Å²	16	32.7 Å²	32.7	9%	0.086	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-57.5	179.1	-177.1	-59.8	0	0	0	111.3	H299 T300 D301 A319 L320 E321 T325	H299-D323 WeakPolarHBondContact CA-OD2 3.35Å; H299-D323 WeakPolarHBondContact CB-OD2 3.35Å; H299-D323 IonicContact CE1-OD1 2.7Å; H299-D323 IonicContact CG-OD2 3.37Å; H299-D323 IonicContact ND1-OD1 2.65Å; H299-D323 PolarHBondContact ND1-OD1 3.34Å; H299-D323 IonicContact ND1-OD2 3.95Å; H299-D323 PolarHBondContact ND1-OD2 2.59Å; T300-D323 PolarHBondContact N-OD2 3.24Å; T300-D323 WeakPolarHBondContact OG1-CB 3.45Å; T300-D323 PolarHBondContact OG1-OD2 2.81Å; D301-D323 HydrophobicContact CB-CB 3.8Å; A319-D323 HydrophobicContact CB-CB 3.6Å; L320-D323 PolarHBondContact O-N 2.78Å; E321-D323 VanDerWaalsContact C-N 3.31Å; D323-T325 WeakPolarHBondContact O-CG2 3.19Å; D323-T325 PolarHBondContact O-N 2.83Å; D323-T325 WeakPolarHBondContact OD1-CA 3.21Å; D323-T325 VanDerWaalsContact OD1-CB 3.25Å; D323-T325 WeakPolarHBondContact OD1-CB 3.31Å; D323-T325 PolarHBondContact OD1-N 2.56Å; D323-T325 PolarHBondContact OD1-OG1 2.85Å
324	K	98.6	Very high	97.3	Very high	76 Å²	76	33.1 Å²	33.1	33%	0.33	17%	0.169	S	C	.	.			trans	60.9	6.3	179	-55.6	169	-76.2	-166	0	115.3	V47 L320 E321	V47-K324 WeakPolarHBondContact CG2-O 3.13Å; L320-K324 PolarHBondContact O-N 3.18Å; E321-K324 VanDerWaalsContact O-CD 3.24Å; E321-K324 WeakPolarHBondContact O-CD 3.5Å; E321-K324 VanDerWaalsContact O-CE 3.26Å; E321-K324 WeakPolarHBondContact O-CE 3.14Å; E321-K324 WeakPolarHBondContact O-CG 3.44Å
325	T	98.9	Very high	97.2	Very high	23 Å²	23	34.3 Å²	34.3	14%	0.141	18%	0.175	C	C	.	.			trans	-98.8	161.5	180	75.9	0	0	0	0	111.9	T39 H299 A319 D323	T39-T325 HydrophobicContact CG2-CG2 3.95Å; H299-T325 PolarHBondContact CE1-O 3.04Å; A319-T325 PolarHBondContact N-O 2.97Å; D323-T325 WeakPolarHBondContact O-CG2 3.19Å; D323-T325 PolarHBondContact O-N 2.83Å; D323-T325 WeakPolarHBondContact OD1-CA 3.21Å; D323-T325 VanDerWaalsContact OD1-CB 3.25Å; D323-T325 WeakPolarHBondContact OD1-CB 3.31Å; D323-T325 PolarHBondContact OD1-N 2.56Å; D323-T325 PolarHBondContact OD1-OG1 2.85Å
326	I	98.9	Very high	97.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.1	167.7	-61	152.2	0	0	0	107.2	T39 L40 V47 V50 L59 S61 W71 S317 A318	T39-I326 CarbonylContact C-O 3.51Å; T39-I326 WeakPolarHBondContact CA-O 3.48Å; L40-I326 HydrophobicContact CB-CB 4.03Å; L40-I326 HydrophobicContact CD2-CG2 4.32Å; L40-I326 PolarHBondContact N-O 2.87Å; L40-I326 PolarHBondContact O-N 3.35Å; V47-I326 HydrophobicContact CG1-CD1 4.24Å; V47-I326 HydrophobicContact CG1-CG1 4.06Å; V47-I326 HydrophobicContact CG2-CG1 4.23Å; V50-I326 HydrophobicContact CG1-CD1 4.02Å; V50-I326 HydrophobicContact CG1-CG1 3.89Å; V50-I326 HydrophobicContact CG1-CG2 4.05Å; L59-I326 HydrophobicContact CD2-CG2 3.85Å; S61-I326 WeakPolarHBondContact OG-CD1 3.39Å; W71-I326 HydrophobicContact CZ2-CD1 4.26Å; S317-I326 CarbonylContact O-C 3.52Å; S317-I326 WeakPolarHBondContact O-CA 3.25Å; S317-I326 WeakPolarHBondContact O-CG2 3.25Å; A318-I326 HydrophobicContact CB-CG1 3.93Å
327	K	98.9	Very high	97	Very high	20 Å²	20	38.4 Å²	38.4	9%	0.087	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.6	177.4	-70.5	175.6	-166.7	-83.1	0	110.5	L36 F38 T39 G298 A316 S317 W329	L36-K327 HydrophobicContact CD1-CB 3.67Å; L36-K327 HydrophobicContact CD1-CD 4.05Å; L36-K327 HydrophobicContact CD1-CG 3.85Å; F38-K327 WeakPolarHBondContact O-CA 3.48Å; T39-K327 HydrophobicContact CG2-CG 4.44Å; T39-K327 PolarHBondContact OG1-NZ 2.74Å; G298-K327 VanDerWaalsContact C-CE 3.45Å; G298-K327 WeakPolarHBondContact O-CE 3.47Å; G298-K327 PolarHBondContact O-NZ 3.43Å; G298-K327 VanDerWaalsContact O-NZ 3.13Å; A316-K327 CarbonylContact C-O 3.43Å; A316-K327 WeakPolarHBondContact CA-O 3.38Å; S317-K327 PolarHBondContact N-O 3.4Å; S317-K327 PolarHBondContact O-N 3.2Å; K327-W329 HydrophobicContact CB-CZ2 3.74Å; K327-W329 HydrophobicContact CD-CH2 4.11Å; K327-W329 HydrophobicContact CD-CZ2 3.66Å; K327-W329 HydrophobicContact CG-CZ2 4.32Å; K327-W329 PolarHBondContact O-NE1 2.81Å
328	L	98.9	Very high	96.9	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.6	172.7	-68.8	179.9	0	0	0	109.6	K37 F38 L40 F52 L59 I314 I315 A316	K37-L328 PolarHBondContact N-O 2.71Å; F38-L328 HydrophobicContact CB-CB 4.16Å; F38-L328 HydrophobicContact CB-CD1 4.36Å; F38-L328 HydrophobicContact CD2-CB 4.06Å; F38-L328 HydrophobicContact CD2-CD1 3.96Å; F38-L328 PolarHBondContact N-O 3.29Å; F38-L328 PolarHBondContact O-N 3.31Å; L40-L328 HydrophobicContact CD1-CD1 3.96Å; L40-L328 HydrophobicContact CD1-CG 3.9Å; L40-L328 HydrophobicContact CD2-CD1 4.4Å; F52-L328 HydrophobicContact CE1-CD2 4.35Å; F52-L328 HydrophobicContact CZ-CD2 3.97Å; L59-L328 HydrophobicContact CD2-CD2 3.99Å; I314-L328 HydrophobicContact CG2-CD2 4.32Å; I315-L328 WeakPolarHBondContact O-CA 3.49Å; A316-L328 HydrophobicContact CB-CD2 3.77Å
329	W	98.9	Very high	96.7	Very high	9 Å²	9	43.5 Å²	43.5	3%	0.034	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.3	-178.7	-42.6	81.9	0	0	0	109	Y34 S35 L36 L296 Q297 I314 I315 S317 K327	Y34-W329 HydrophobicContact CD1-CB 3.99Å; S35-W329 CarbonylContact O-C 3.58Å; S35-W329 VanDerWaalsContact O-CA 3.27Å; S35-W329 WeakPolarHBondContact O-CA 3.38Å; L36-W329 HydrophobicContact CB-CE3 3.84Å; L36-W329 HydrophobicContact CB-CH2 4.48Å; L36-W329 HydrophobicContact CB-CZ3 3.75Å; L36-W329 HydrophobicContact CD1-CD2 4.32Å; L36-W329 HydrophobicContact CD1-CE3 4.26Å; L36-W329 HydrophobicContact CD1-CH2 4.3Å; L36-W329 HydrophobicContact CD1-CZ2 4.37Å; L36-W329 HydrophobicContact CD1-CZ3 4.24Å; L296-W329 HydrophobicContact CB-CD2 4.23Å; L296-W329 HydrophobicContact CB-CE3 3.94Å; L296-W329 HydrophobicContact CB-CH2 3.94Å; L296-W329 HydrophobicContact CB-CZ2 4.21Å; L296-W329 HydrophobicContact CB-CZ3 3.79Å; L296-W329 HydrophobicContact CD1-CB 4.07Å; L296-W329 HydrophobicContact CD1-CD2 3.64Å; L296-W329 HydrophobicContact CD1-CE3 3.92Å; L296-W329 HydrophobicContact CD1-CG 3.69Å; L296-W329 HydrophobicContact CG-CE3 4.39Å; Q297-W329 WeakPolarHBondContact O-CH2 3.43Å; I314-W329 CarbonylContact C-O 3.43Å; I314-W329 VanDerWaalsContact CA-O 3.24Å; I314-W329 WeakPolarHBondContact CA-O 3.21Å; I315-W329 HydrophobicContact CB-CB 4.36Å; I315-W329 PolarHBondContact N-O 3.34Å; I315-W329 VanDerWaalsContact O-CD1 3.31Å; I315-W329 PolarHBondContact O-N 2.92Å; S317-W329 PolarHBondContact OG-NE1 2.84Å; K327-W329 HydrophobicContact CB-CZ2 3.74Å; K327-W329 HydrophobicContact CD-CH2 4.11Å; K327-W329 HydrophobicContact CD-CZ2 3.66Å; K327-W329 HydrophobicContact CG-CZ2 4.32Å; K327-W329 PolarHBondContact O-NE1 2.81Å
330	K	98.4	Very high	96.6	Very high	89 Å²	89	46.6 Å²	46.6	39%	0.387	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.6	177.1	-170.7	174.5	-178.3	175.6	0	111.1	Y34 S35 K37 N313 I314	Y34-K330 WeakPolarHBondContact CA-O 3.2Å; S35-K330 PolarHBondContact N-O 3Å; S35-K330 PolarHBondContact O-N 2.93Å; S35-K330 PolarHBondContact OG-O 3.3Å; K37-K330 HydrophobicContact CD-CB 4.48Å; K37-K330 HydrophobicContact CG-CB 3.72Å; N313-K330 WeakPolarHBondContact O-CA 3.49Å; I314-K330 HydrophobicContact CG1-CB 4.47Å; I314-K330 HydrophobicContact CG1-CD 4.46Å; I314-K330 HydrophobicContact CG1-CG 4.15Å
331	S	97.3	Very high	96.4	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.021	25%	0.246	C	C	.	.			trans	-111.1	150.5	172.4	-179.5	0	0	0	0	109.5	N33 N313 C333	N33-S331 PolarHBondContact N-OG 3.13Å; N33-S331 VanDerWaalsContact N-OG 3.07Å; N33-S331 PolarHBondContact OD1-OG 3.13Å; N313-S331 WeakPolarHBondContact CB-O 3.33Å; N313-S331 PolarHBondContact O-N 3Å; S331-C333 VanDerWaalsContact C-N 3.33Å; S331-C333 WeakPolarHBondContact CB-O 3.42Å; S331-C333 PolarHBondContact OG-N 3.07Å; S331-C333 PolarHBondContact OG-O 3.32Å
332	D	92	Very high	96.3	Very high	132 Å²	132	45.7 Å²	45.7	71%	0.706	24%	0.235	S	C	*	.			trans	-82.5	-17.9	175.3	-56.6	-44.4	0	0	0	111.6	N33	N33-D332 PolarHBondContact ND2-OD2 3.5Å; N33-D332 PolarHBondContact OD1-N 3.21Å
333	C	78.3	Confident	96.2	Very high	50 Å²	50	38.4 Å²	38.4	34%	0.338	20%	0.196	S	C	.	.			trans	-136.7	0	179.9	64.4	0	0	0	0	113.8	G269 N313 S331	G269-C333 WeakPolarHBondContact CA-OXT 3.26Å; N313-C333 PolarHBondContact ND2-O 3.22Å; N313-C333 PolarHBondContact ND2-OXT 3.46Å; S331-C333 VanDerWaalsContact C-N 3.33Å; S331-C333 WeakPolarHBondContact CB-O 3.42Å; S331-C333 PolarHBondContact OG-N 3.07Å; S331-C333 PolarHBondContact OG-O 3.32Å

Retrieved 333 of 333 residues in 381.5 ms (Link to these results)

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