A0A7M4EJD1_CROPO Loading...

WD repeat domain 5B

AlphaFold DB , UniProt , Accession A0A7M4EJD1, Species CROPO (Crocodylus porosus, Saltwater crocodile), Gene WDR5B, Length 334 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	37.5	Very low	35.4	Very low	247 Å²	247	167.3 Å²	167.3	100%	1.217	88%	0.883	S	S	*	*				0	132.7	0	-96.3	175.7	163.5	0	0	107.6
2	A	36.5	Very low	35.4	Very low	88 Å²	88	162.6 Å²	162.6	73%	0.727	87%	0.874	S	S	*	*			trans	-48.7	149.7	-168.7	0	0	0	0	0	114.3
3	T	35.3	Very low	35.2	Very low	141 Å²	141	161 Å²	161	87%	0.865	87%	0.874	S	S	*	*				-164.7	147.6	75.1	23.9	0	0	0	0	112.2
4	E	34	Very low	35	Very low	182 Å²	182	164.1 Å²	164.1	85%	0.85	88%	0.875	S	S	*	*			trans	-67.7	151.1	174.6	-64.5	169.1	120.1	0	0	112.3
5	E	35.3	Very low	34.9	Very low	204 Å²	204	162.5 Å²	162.5	95%	0.953	87%	0.874	S	S	*	*			trans	-145.3	130	140.3	-110.8	-176	178.4	0	0	109.9
6	K	35.1	Very low	34.7	Very low	199 Å²	199	164 Å²	164	87%	0.865	87%	0.874	S	S	*	*			trans	-124.2	131.3	-171.5	-168.7	-174.8	-170.9	-179.5	0	108.3
7	K	34.7	Very low	34.8	Very low	201 Å²	201	161.2 Å²	161.2	87%	0.874	87%	0.87	S	S	*	*			trans	-157	158.3	160.9	-112.6	-162.7	173.4	173	0	110.3
8	P	38.8	Very low	34.7	Very low	115 Å²	115	159.6 Å²	159.6	75%	0.747	87%	0.867	S	S	*	*				-111.9	151.9	-123.5	15.4	7.3	0	0	0	114
9	D	33.3	Very low	34.7	Very low	169 Å²	169	157.7 Å²	157.7	90%	0.904	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-70.4	134.8	173.5	-76.2	-46.4	0	0	0	112.4
10	A	36.7	Very low	34.6	Very low	94 Å²	94	155.7 Å²	155.7	78%	0.777	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-81	134.7	174.1	0	0	0	0	0	111.2	S12	A10-S12 PolarHBondContact O-N 3.41Å
11	E	32.2	Very low	34.6	Very low	200 Å²	200	153.3 Å²	153.3	94%	0.935	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-55.6	123.2	166.7	-79.4	175.8	133.8	0	0	110.7
12	S	35	Very low	34.6	Very low	111 Å²	111	146.7 Å²	146.7	78%	0.776	83%	0.834	S	S	*	*			trans	-117.6	118.8	162.9	53.8	0	0	0	0	109.7	A10	A10-S12 PolarHBondContact O-N 3.41Å
13	T	32.8	Very low	34.6	Very low	142 Å²	142	148.1 Å²	148.1	87%	0.871	83%	0.833	S	S	*	*			trans	-52	125.5	178	21	0	0	0	0	113	T15	T13-T15 PolarHBondContact O-N 2.9Å
14	K	33.3	Very low	34.8	Very low	204 Å²	204	148.7 Å²	148.7	89%	0.887	83%	0.831	S	S	*	*			trans	-67.5	109	167.3	-78.7	176.8	175.7	174.7	0	110.6	Q16	K14-Q16 PolarHBondContact O-N 2.76Å
15	T	32.3	Very low	35.2	Very low	141 Å²	141	148.7 Å²	148.7	87%	0.865	83%	0.831	S	S	*	*			trans	-70.9	115.3	159.1	26	0	0	0	0	109.7	T13	T13-T15 PolarHBondContact O-N 2.9Å
16	Q	33.1	Very low	35.8	Very low	186 Å²	186	144 Å²	144	87%	0.869	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-68.8	128.1	172.4	-77.7	174.5	-23.3	0	0	110.6	K14	K14-Q16 PolarHBondContact O-N 2.76Å
17	S	35.5	Very low	36.5	Very low	116 Å²	116	143.8 Å²	143.8	81%	0.811	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-76.6	119.5	168.1	43	0	0	0	0	110.1
18	T	32.9	Very low	37.3	Very low	132 Å²	132	139.6 Å²	139.6	81%	0.81	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-70	127.6	170.2	41.9	0	0	0	0	110.5
19	P	35.3	Very low	38.1	Very low	125 Å²	125	137.9 Å²	137.9	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-76.6	127.8	173.1	24.2	-21.5	0	0	0	110.5	S21	P19-S21 PolarHBondContact O-N 2.79Å; P19-S21 VanDerWaalsContact O-N 3.16Å
20	S	32.9	Very low	39.5	Very low	116 Å²	116	135.1 Å²	135.1	81%	0.811	80%	0.8	S	S	*	*			trans	-59.4	109.9	171.6	52.5	0	0	0	0	110.4	S22	S20-S22 PolarHBondContact O-N 3.05Å
21	S	34.2	Very low	41.7	Very low	107 Å²	107	135.6 Å²	135.6	75%	0.748	79%	0.793	S	S	*	*			trans	-69.5	97.9	171.5	55.9	0	0	0	0	109.7	P19 T23	P19-S21 PolarHBondContact O-N 2.79Å; P19-S21 VanDerWaalsContact O-N 3.16Å; S21-T23 PolarHBondContact O-N 3.36Å
22	S	36.4	Very low	44.6	Very low	107 Å²	107	132.4 Å²	132.4	75%	0.748	78%	0.776	S	S	*	*			trans	-67.3	97.8	161.4	46.8	0	0	0	0	108.1	S20 N24	S20-S22 PolarHBondContact O-N 3.05Å; S22-N24 VanDerWaalsContact C-N 3.28Å; S22-N24 PolarHBondContact O-N 3.33Å
23	T	36.4	Very low	47.4	Very low	118 Å²	118	127.5 Å²	127.5	72%	0.724	74%	0.741	S	S	*	*			trans	-63.5	94.1	167.4	42.3	0	0	0	0	108.3	S21 Q25	S21-T23 PolarHBondContact O-N 3.36Å; T23-Q25 PolarHBondContact O-N 2.83Å
24	N	39.9	Very low	50.5	Low	154 Å²	154	124.1 Å²	124.1	82%	0.824	72%	0.718	S	S	*	*			trans	-58.3	94.6	155.9	-99.1	-15.8	0	0	0	106.7	S22 S26	S22-N24 VanDerWaalsContact C-N 3.28Å; S22-N24 PolarHBondContact O-N 3.33Å; N24-S26 PolarHBondContact O-N 3.46Å
25	Q	42.3	Very low	53.6	Low	182 Å²	182	114.7 Å²	114.7	85%	0.85	68%	0.677	S	S	*	*			trans	-64	95.7	162.1	-74.7	-175.4	-0.7	0	0	106.5	T23 K27	T23-Q25 PolarHBondContact O-N 2.83Å; Q25-K27 PolarHBondContact O-N 2.61Å
26	S	47.8	Very low	56.8	Low	104 Å²	104	110.2 Å²	110.2	73%	0.727	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-57.8	127.3	168.2	51.1	0	0	0	0	107.3	N24	N24-S26 PolarHBondContact O-N 3.46Å
27	K	51.2	Low	59.9	Low	196 Å²	196	105 Å²	105	85%	0.852	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-52.9	130.8	167.3	-78.7	179.7	175.6	176.3	0	107.1	Q25 A29	Q25-K27 PolarHBondContact O-N 2.61Å; K27-A29 PolarHBondContact O-N 2.78Å
28	P	50.3	Low	62.9	Low	113 Å²	113	105.1 Å²	105.1	73%	0.734	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-53.8	137.5	177.8	20.2	-29.9	0	0	0	108.8
29	A	56.8	Low	66	Low	79 Å²	79	102.6 Å²	102.6	65%	0.653	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-52.6	133.8	175.7	0	0	0	0	0	108.5	K27 V31	K27-A29 PolarHBondContact O-N 2.78Å; A29-V31 PolarHBondContact O-N 3.37Å
30	P	62.3	Low	69.1	Low	110 Å²	110	100 Å²	100	71%	0.714	58%	0.578	S	S	*	*			trans	-63.1	107.4	-175.2	22.8	-30.6	0	0	0	109.5
31	V	83.9	Confident	72.2	Confident	104 Å²	104	94.8 Å²	94.8	63%	0.63	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-70.7	136.8	176.8	-174.5	0	0	0	0	108.1	A29	A29-V31 PolarHBondContact O-N 3.37Å
32	K	91.4	Very high	75.3	Confident	134 Å²	134	93.1 Å²	93.1	58%	0.583	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-62.6	142.4	173.1	-67	-175.8	179.4	-175.4	0	109.2	V294	K32-V294 HydrophobicContact CG-CB 4.28Å; K32-V294 HydrophobicContact CG-CG1 4.44Å
33	P	95.2	Very high	78.2	Confident	7 Å²	7	90 Å²	90	5%	0.045	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-66.3	157.2	175.5	31.8	-34	0	0	0	110.1	Y35 W273 I285 V294 Q295	P33-Y35 HydrophobicContact CB-CD2 3.75Å; P33-Y35 HydrophobicContact CB-CE2 3.75Å; P33-Y35 HydrophobicContact CG-CD2 4.33Å; P33-Y35 HydrophobicContact CG-CE2 4.43Å; P33-W273 HydrophobicContact CG-CD2 4.45Å; P33-W273 HydrophobicContact CG-CZ2 4.22Å; P33-I285 HydrophobicContact CG-CG2 4.17Å; P33-V294 HydrophobicContact CG-CG2 3.84Å; P33-Q295 HydrophobicContact CG-CB 4.49Å; P33-Q295 PolarHBondContact O-OE1 2.97Å; P33-Q295 VanDerWaalsContact O-OE1 3.12Å
34	N	97.3	Very high	81.2	Confident	71 Å²	71	85 Å²	85	38%	0.38	49%	0.486	S	S	.	.			trans	-126.4	44.5	-178.1	67.7	-24.5	0	0	0	111.3	A36 S332 D333	N34-A36 PolarHBondContact O-N 2.81Å; N34-A36 VanDerWaalsContact O-N 3.13Å; N34-S332 PolarHBondContact N-OG 2.88Å; N34-S332 VanDerWaalsContact N-OG 3.07Å; N34-S332 PolarHBondContact OD1-OG 3.04Å; N34-D333 PolarHBondContact ND2-OD2 3.44Å; N34-D333 PolarHBondContact OD1-N 3.16Å
35	Y	98.6	Very high	84	Confident	7 Å²	7	82.2 Å²	82.2	3%	0.027	48%	0.475	C	S	.	.			trans	-53.6	121	179	-77.5	-83	0	0	0	111.3	P33 I285 Q295 N314 I316 W330 K331	P33-Y35 HydrophobicContact CB-CD2 3.75Å; P33-Y35 HydrophobicContact CB-CE2 3.75Å; P33-Y35 HydrophobicContact CG-CD2 4.33Å; P33-Y35 HydrophobicContact CG-CE2 4.43Å; Y35-I285 HydrophobicContact CD2-CD1 3.36Å; Y35-I285 HydrophobicContact CE2-CD1 3.86Å; Y35-I285 HydrophobicContact CG-CD1 4.1Å; Y35-Q295 VanDerWaalsContact N-NE2 3.2Å; Y35-Q295 PolarHBondContact O-NE2 3.08Å; Y35-N314 VanDerWaalsContact CE1-O 3.23Å; Y35-N314 WeakPolarHBondContact CE1-O 3.47Å; Y35-I316 HydrophobicContact CD1-CB 4.35Å; Y35-I316 HydrophobicContact CD1-CD1 3.83Å; Y35-I316 HydrophobicContact CD1-CG1 4.1Å; Y35-I316 HydrophobicContact CD2-CD1 3.92Å; Y35-I316 HydrophobicContact CE1-CB 4.16Å; Y35-I316 HydrophobicContact CE1-CD1 3.55Å; Y35-I316 HydrophobicContact CE1-CG1 3.56Å; Y35-I316 HydrophobicContact CE2-CD1 3.67Å; Y35-I316 HydrophobicContact CE2-CG1 4.48Å; Y35-I316 HydrophobicContact CG-CD1 4.01Å; Y35-I316 VanDerWaalsContact CZ-CD1 3.47Å; Y35-W330 HydrophobicContact CD1-CB 3.98Å; Y35-K331 WeakPolarHBondContact CA-O 3.21Å
36	A	98.7	Very high	86.7	Confident	46 Å²	46	78.6 Å²	78.6	38%	0.38	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.4	175.4	0	0	0	0	0	110.1	N34 K38 W330 K331	N34-A36 PolarHBondContact O-N 2.81Å; N34-A36 VanDerWaalsContact O-N 3.13Å; A36-K38 PolarHBondContact O-N 2.76Å; A36-W330 CarbonylContact O-C 3.57Å; A36-W330 VanDerWaalsContact O-CA 3.29Å; A36-W330 WeakPolarHBondContact O-CA 3.48Å; A36-K331 PolarHBondContact N-O 2.91Å; A36-K331 PolarHBondContact O-N 3.27Å
37	L	98.8	Very high	89.1	Confident	76 Å²	76	74.3 Å²	74.3	40%	0.398	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	128.6	177	-177.7	63.4	0	0	0	109.8	F39 K328 W330	L37-F39 WeakPolarHBondContact CD1-O 3.21Å; L37-K328 HydrophobicContact CD1-CB 3.67Å; L37-K328 HydrophobicContact CD1-CD 4.06Å; L37-K328 HydrophobicContact CD1-CG 3.85Å; L37-W330 HydrophobicContact CB-CE3 3.84Å; L37-W330 HydrophobicContact CB-CH2 4.48Å; L37-W330 HydrophobicContact CB-CZ3 3.74Å; L37-W330 HydrophobicContact CD1-CD2 4.34Å; L37-W330 HydrophobicContact CD1-CE3 4.28Å; L37-W330 HydrophobicContact CD1-CH2 4.3Å; L37-W330 HydrophobicContact CD1-CZ2 4.38Å; L37-W330 HydrophobicContact CD1-CZ3 4.26Å
38	K	98.6	Very high	91.4	Very high	119 Å²	119	65 Å²	65	52%	0.517	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-44.1	173.8	-64.8	-60.3	-176.9	-178.8	0	111.9	A36 L329 K331	A36-K38 PolarHBondContact O-N 2.76Å; K38-L329 PolarHBondContact N-O 3.34Å; K38-K331 HydrophobicContact CG-CB 3.75Å
39	F	98.7	Very high	93.7	Very high	80 Å²	80	60.6 Å²	60.6	35%	0.351	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	145.9	-176.6	-51.3	-75.2	0	0	0	111.6	L37 L41 Y75 D76 K328 L329	L37-F39 WeakPolarHBondContact CD1-O 3.21Å; F39-L41 HydrophobicContact CB-CD1 3.65Å; F39-Y75 VanDerWaalsContact CE2-O 3.28Å; F39-Y75 WeakPolarHBondContact CE2-O 3.22Å; F39-D76 WeakPolarHBondContact CD1-O 3.48Å; F39-D76 WeakPolarHBondContact CE1-O 3.4Å; F39-K328 WeakPolarHBondContact O-CA 3.49Å; F39-L329 HydrophobicContact CB-CB 4.17Å; F39-L329 HydrophobicContact CB-CD1 4.35Å; F39-L329 HydrophobicContact CD2-CB 4.08Å; F39-L329 HydrophobicContact CD2-CD1 3.96Å; F39-L329 PolarHBondContact N-O 2.8Å; F39-L329 PolarHBondContact O-N 3.37Å
40	T	98.8	Very high	95.7	Very high	71 Å²	71	56.8 Å²	56.8	44%	0.436	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.4	164.6	-62.8	0	0	0	0	107.7	T326 I327 K328	T40-T326 HydrophobicContact CG2-CG2 3.94Å; T40-I327 CarbonylContact C-O 3.6Å; T40-I327 WeakPolarHBondContact CA-O 3.25Å; T40-K328 HydrophobicContact CG2-CG 4.42Å; T40-K328 PolarHBondContact OG1-NZ 2.93Å
41	L	98.8	Very high	97.5	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	109.7	-175.9	-75.3	61.8	0	0	0	107.4	F39 L60 W72 G77 T326 I327 L329	F39-L41 HydrophobicContact CB-CD1 3.65Å; L41-L60 HydrophobicContact CD2-CD2 4.27Å; L41-W72 HydrophobicContact CB-CD2 4.35Å; L41-W72 HydrophobicContact CB-CE3 4Å; L41-W72 HydrophobicContact CB-CH2 4.3Å; L41-W72 HydrophobicContact CB-CZ3 3.98Å; L41-W72 HydrophobicContact CD2-CB 3.67Å; L41-W72 HydrophobicContact CD2-CD2 3.59Å; L41-W72 HydrophobicContact CD2-CE3 3.73Å; L41-W72 HydrophobicContact CD2-CG 3.56Å; L41-W72 HydrophobicContact CG-CD2 4.23Å; L41-W72 HydrophobicContact CG-CE3 3.88Å; L41-W72 HydrophobicContact CG-CZ3 4.31Å; L41-G77 WeakPolarHBondContact CG-O 3.26Å; L41-T326 WeakPolarHBondContact O-CA 3.38Å; L41-I327 HydrophobicContact CB-CB 4.01Å; L41-I327 HydrophobicContact CD2-CG2 4.29Å; L41-I327 PolarHBondContact N-O 2.95Å; L41-I327 PolarHBondContact O-N 2.85Å; L41-L329 HydrophobicContact CD1-CD1 3.96Å; L41-L329 HydrophobicContact CD1-CG 3.97Å; L41-L329 HydrophobicContact CD2-CD1 4.39Å
42	A	98.6	Very high	98.2	Very high	73 Å²	73	48.5 Å²	48.5	60%	0.603	27%	0.272	S	S	*	.			trans	-106.6	145.8	176.4	0	0	0	0	0	110.2	W72	A42-W72 WeakPolarHBondContact O-CH2 3.23Å
43	G	98.3	Very high	98.5	Very high	40 Å²	40	43 Å²	43	41%	0.412	25%	0.248	S	C	.	.			trans	157.4	-19.3	173.4	0	0	0	0	0	115.3	K70	G43-K70 WeakPolarHBondContact O-CE 3.43Å
44	H	98.8	Very high	98.7	Very high	13 Å²	13	42.7 Å²	42.7	6%	0.06	25%	0.246	C	C	.	.			trans	-71.5	143.4	166.4	-79.7	-65.3	0	0	0	110.3	V48 S62 S64 D66	H44-V48 HydrophobicContact CB-CG2 4.01Å; H44-S62 PolarHBondContact NE2-OG 2.84Å; H44-S64 VanDerWaalsContact CE1-CB 3.46Å; H44-S64 WeakPolarHBondContact CE1-CB 3.43Å; H44-S64 WeakPolarHBondContact ND1-CB 3.47Å; H44-D66 VanDerWaalsContact CA-OD2 3.31Å; H44-D66 WeakPolarHBondContact CA-OD2 3.41Å; H44-D66 WeakPolarHBondContact CB-OD2 3.35Å; H44-D66 IonicContact CE1-OD1 3.98Å; H44-D66 IonicContact CE1-OD2 2.87Å; H44-D66 IonicContact CG-OD2 3.16Å; H44-D66 IonicContact ND1-OD1 2.71Å; H44-D66 PolarHBondContact ND1-OD1 2.97Å; H44-D66 IonicContact ND1-OD2 3.3Å; H44-D66 PolarHBondContact ND1-OD2 3.28Å
45	T	98.8	Very high	98.8	Very high	97 Å²	97	42.1 Å²	42.1	60%	0.595	25%	0.246	S	C	*	.	S	Bend	trans	-99.4	-6.4	-177	60	0	0	0	0	113.4	D66	T45-D66 PolarHBondContact N-OD2 3.29Å; T45-D66 WeakPolarHBondContact OG1-CB 3.48Å
46	K	98.9	Very high	98.8	Very high	105 Å²	105	45.2 Å²	45.2	46%	0.457	26%	0.263	S	S	.	.	S	Bend	trans	-139.7	176.3	176.2	-67.5	-168.4	173.1	-170.5	0	109.9	V48 S64 A65 D66 E322	K46-V48 PolarHBondContact O-N 2.62Å; K46-S64 PolarHBondContact O-OG 2.92Å; K46-S64 VanDerWaalsContact O-OG 3.1Å; K46-A65 HydrophobicContact CB-CB 4.02Å; K46-A65 HydrophobicContact CD-CB 4.32Å; K46-D66 HydrophobicContact CB-CB 4.03Å; K46-D66 HydrophobicContact CG-CB 4.21Å; K46-E322 VanDerWaalsContact CA-OE2 3.26Å; K46-E322 WeakPolarHBondContact CA-OE2 3.34Å; K46-E322 VanDerWaalsContact CB-OE2 3.31Å; K46-E322 WeakPolarHBondContact CB-OE2 3.33Å
47	A	98.8	Very high	98.8	Very high	15 Å²	15	43 Å²	43	12%	0.124	25%	0.245	C	C	.	.			trans	-41.3	126	176.1	0	0	0	0	0	112	S64 A65 L321 E322	A47-S64 VanDerWaalsContact O-CA 3.31Å; A47-S64 WeakPolarHBondContact O-CA 3.38Å; A47-S64 VanDerWaalsContact O-CB 3.32Å; A47-S64 WeakPolarHBondContact O-CB 3.39Å; A47-S64 PolarHBondContact O-OG 2.86Å; A47-A65 HydrophobicContact CB-CB 4.47Å; A47-A65 PolarHBondContact O-N 2.93Å; A47-L321 HydrophobicContact CB-CB 4.4Å; A47-L321 HydrophobicContact CB-CD2 4.12Å; A47-E322 HydrophobicContact CB-CB 4.22Å; A47-E322 PolarHBondContact N-OE2 3.22Å
48	V	98.9	Very high	98.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	137.4	168.2	-173.4	0	0	0	0	106.7	H44 K46 V51 S63 I305 A319 A320 K325 I327	H44-V48 HydrophobicContact CB-CG2 4.01Å; K46-V48 PolarHBondContact O-N 2.62Å; V48-V51 HydrophobicContact CG1-CG1 4.28Å; V48-S63 WeakPolarHBondContact CA-O 3.4Å; V48-S63 VanDerWaalsContact CG1-O 3.27Å; V48-S63 WeakPolarHBondContact CG1-O 3.47Å; V48-I305 WeakPolarHBondContact O-CG2 3.48Å; V48-A319 HydrophobicContact CB-CB 3.9Å; V48-A319 HydrophobicContact CG1-CB 3.55Å; V48-A320 PolarHBondContact N-O 3.29Å; V48-K325 WeakPolarHBondContact CG2-O 3.13Å; V48-I327 HydrophobicContact CG1-CD1 4.26Å; V48-I327 HydrophobicContact CG1-CG1 4.08Å; V48-I327 HydrophobicContact CG2-CG1 4.22Å
49	S	98.9	Very high	98.8	Very high	20 Å²	20	41.8 Å²	41.8	14%	0.14	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-36.8	-175.3	54.6	0	0	0	0	112.9	S63 I90 S91	S49-S63 PolarHBondContact N-O 3.47Å; S49-S63 VanDerWaalsContact OG-C 3.27Å; S49-S63 PolarHBondContact OG-O 2.88Å; S49-S63 VanDerWaalsContact OG-O 3.11Å; S49-S63 PolarHBondContact OG-OG 2.96Å; S49-I90 VanDerWaalsContact CB-O 3.25Å; S49-I90 WeakPolarHBondContact CB-O 3.24Å; S49-I90 PolarHBondContact OG-O 2.99Å; S49-S91 WeakPolarHBondContact CB-O 3.28Å; S49-S91 PolarHBondContact OG-O 2.98Å
50	S	98.9	Very high	98.8	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.4	-176.9	-170.4	0	0	0	0	111.1	K52 S62 S63 D92	S50-K52 VanDerWaalsContact OG-CE 3.27Å; S50-K52 WeakPolarHBondContact OG-CE 3.22Å; S50-K52 PolarHBondContact OG-NZ 2.71Å; S50-S62 CarbonylContact O-C 3.52Å; S50-S62 VanDerWaalsContact O-CA 3.26Å; S50-S62 WeakPolarHBondContact O-CA 3.32Å; S50-S63 WeakPolarHBondContact CB-OG 3.42Å; S50-S63 PolarHBondContact N-OG 3Å; S50-S63 PolarHBondContact O-N 3.46Å; S50-D92 WeakPolarHBondContact CB-OD1 3.36Å; S50-D92 PolarHBondContact OG-OD1 2.95Å
51	V	98.9	Very high	98.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.9	169	-72	0	0	0	0	110.1	V48 L60 A61 S306 A308 A317 A319 I327	V48-V51 HydrophobicContact CG1-CG1 4.28Å; V51-L60 HydrophobicContact CB-CD1 4.14Å; V51-A61 CarbonylContact C-O 3.51Å; V51-A61 VanDerWaalsContact CA-O 3.29Å; V51-A61 WeakPolarHBondContact CA-O 3.31Å; V51-S306 PolarHBondContact N-OG 2.73Å; V51-S306 VanDerWaalsContact N-OG 3.14Å; V51-A308 HydrophobicContact CG2-CB 4.3Å; V51-A308 WeakPolarHBondContact O-CB 3.35Å; V51-A317 HydrophobicContact CG2-CB 4.17Å; V51-A319 HydrophobicContact CG1-CB 3.67Å; V51-A319 HydrophobicContact CG2-CB 4.22Å; V51-I327 HydrophobicContact CG1-CD1 4.02Å; V51-I327 HydrophobicContact CG1-CG1 3.91Å; V51-I327 HydrophobicContact CG1-CG2 4.08Å
52	K	99	Very high	98.8	Very high	39 Å²	39	34.3 Å²	34.3	17%	0.17	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	128.7	177.4	-56.1	-66.6	162.8	58.4	0	111.3	S50 A61 D92 V93 W95	S50-K52 VanDerWaalsContact OG-CE 3.27Å; S50-K52 WeakPolarHBondContact OG-CE 3.22Å; S50-K52 PolarHBondContact OG-NZ 2.71Å; K52-A61 PolarHBondContact N-O 2.83Å; K52-A61 PolarHBondContact O-N 2.85Å; K52-D92 IonicContact NZ-OD1 3.43Å; K52-D92 PolarHBondContact NZ-OD1 3.1Å; K52-D92 IonicContact NZ-OD2 3.93Å; K52-V93 HydrophobicContact CG-CG1 4.37Å; K52-V93 WeakPolarHBondContact CG-O 3.49Å; K52-V93 PolarHBondContact NZ-O 3.02Å; K52-W95 PolarHBondContact O-NE1 3.18Å
53	F	98.9	Very high	98.8	Very high	19 Å²	19	30.9 Å²	30.9	8%	0.083	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	143.6	167.6	-70.9	-74.2	0	0	0	110.5	W59 L60 A74 W95 A308 C309 H310 I315 A317 L329	F53-W59 CarbonylContact C-O 3.48Å; F53-W59 VanDerWaalsContact CA-O 3.29Å; F53-W59 WeakPolarHBondContact CA-O 3.39Å; F53-L60 HydrophobicContact CD1-CB 4.28Å; F53-L60 HydrophobicContact CD1-CD1 3.9Å; F53-L60 HydrophobicContact CD2-CD1 4.28Å; F53-L60 HydrophobicContact CE1-CB 4.26Å; F53-L60 HydrophobicContact CE1-CD1 3.93Å; F53-L60 HydrophobicContact CE2-CD1 4.31Å; F53-L60 HydrophobicContact CG-CD1 4.09Å; F53-L60 HydrophobicContact CZ-CD1 4.14Å; F53-A74 HydrophobicContact CD1-CB 3.82Å; F53-A74 HydrophobicContact CE1-CB 3.77Å; F53-W95 VanDerWaalsContact O-CD1 3.29Å; F53-A308 HydrophobicContact CD2-CB 3.91Å; F53-A308 HydrophobicContact CE2-CB 4.21Å; F53-C309 VanDerWaalsContact CD2-C 3.5Å; F53-H310 AromaticContact CD1-CD2 3.64Å; F53-H310 HydrophobicContact CD2-CB 4.16Å; F53-H310 AromaticContact CE1-CD2 3.81Å; F53-H310 HydrophobicContact CE2-CB 4.12Å; F53-H310 HydrophobicContact CG-CB 4.41Å; F53-H310 HydrophobicContact CZ-CB 4.34Å; F53-I315 HydrophobicContact CE1-CG2 4.43Å; F53-I315 HydrophobicContact CZ-CG2 3.79Å; F53-A317 HydrophobicContact CE2-CB 3.73Å; F53-A317 HydrophobicContact CZ-CB 3.71Å; F53-L329 HydrophobicContact CE1-CD2 4.34Å; F53-L329 HydrophobicContact CZ-CD2 3.97Å
54	S	98.9	Very high	98.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.			trans	-65.7	147.3	167.8	58.2	0	0	0	0	110	N56 G57 E58 W59	S54-N56 WeakPolarHBondContact CB-OD1 3.23Å; S54-N56 PolarHBondContact O-N 2.76Å; S54-N56 PolarHBondContact OG-OD1 3.1Å; S54-G57 WeakPolarHBondContact O-CA 3.21Å; S54-G57 PolarHBondContact O-N 3.21Å; S54-E58 PolarHBondContact OG-N 3.47Å; S54-W59 PolarHBondContact N-O 3.08Å; S54-W59 PolarHBondContact OG-N 3.16Å; S54-W59 PolarHBondContact OG-O 3.09Å
55	P	98.8	Very high	98.9	Very high	59 Å²	59	30.2 Å²	30.2	38%	0.383	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.1	178.4	-31.3	38.4	0	0	0	114.8	G57 W95 S96 S97 S99	P55-G57 PolarHBondContact O-N 2.9Å; P55-W95 HydrophobicContact CG-CB 4.3Å; P55-S96 WeakPolarHBondContact CG-O 3.31Å; P55-S97 WeakPolarHBondContact CB-O 3.24Å; P55-S99 WeakPolarHBondContact CD-OG 3.34Å
56	N	98.6	Very high	98.9	Very high	72 Å²	72	26.1 Å²	26.1	39%	0.385	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-8	173.9	74.9	-8.6	0	0	0	113.7	S54 E58 S99	S54-N56 WeakPolarHBondContact CB-OD1 3.23Å; S54-N56 PolarHBondContact O-N 2.76Å; S54-N56 PolarHBondContact OG-OD1 3.1Å; N56-E58 VanDerWaalsContact C-N 3.29Å; N56-E58 PolarHBondContact ND2-OE2 3.32Å; N56-E58 PolarHBondContact O-N 2.59Å; N56-E58 PolarHBondContact OD1-N 3.04Å; N56-S99 WeakPolarHBondContact CB-OG 3.45Å; N56-S99 PolarHBondContact N-OG 2.87Å; N56-S99 PolarHBondContact OD1-OG 3.5Å
57	G	98.6	Very high	98.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	77.4	1	178.9	0	0	0	0	0	115.4	S54 P55 A74 Y75 H310	S54-G57 WeakPolarHBondContact O-CA 3.21Å; S54-G57 PolarHBondContact O-N 3.21Å; P55-G57 PolarHBondContact O-N 2.9Å; G57-A74 WeakPolarHBondContact O-CB 3.46Å; G57-Y75 VanDerWaalsContact O-CE2 3.23Å; G57-Y75 WeakPolarHBondContact O-CE2 3.48Å; G57-Y75 PolarHBondContact O-OH 2.87Å; G57-H310 VanDerWaalsContact CA-NE2 3.32Å; G57-H310 WeakPolarHBondContact CA-NE2 3.47Å; G57-H310 PolarHBondContact O-NE2 3.35Å
58	E	98.8	Very high	98.9	Very high	101 Å²	101	27.1 Å²	27.1	47%	0.472	14%	0.139	S	C	.	.	S	Bend	trans	-80.3	-29.4	-176.4	-66.2	-177.4	153.7	0	0	113.2	S54 N56 A74	S54-E58 PolarHBondContact OG-N 3.47Å; N56-E58 VanDerWaalsContact C-N 3.29Å; N56-E58 PolarHBondContact ND2-OE2 3.32Å; N56-E58 PolarHBondContact O-N 2.59Å; N56-E58 PolarHBondContact OD1-N 3.04Å; E58-A74 WeakPolarHBondContact O-CB 3.31Å; E58-A74 PolarHBondContact O-N 3.12Å
59	W	98.9	Very high	98.9	Very high	68 Å²	68	27.1 Å²	27.1	26%	0.258	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150	-165.5	-53.3	106.6	0	0	0	112.2	F53 S54 I71 W72 E80 W95	F53-W59 CarbonylContact C-O 3.48Å; F53-W59 VanDerWaalsContact CA-O 3.29Å; F53-W59 WeakPolarHBondContact CA-O 3.39Å; S54-W59 PolarHBondContact N-O 3.08Å; S54-W59 PolarHBondContact OG-N 3.16Å; S54-W59 PolarHBondContact OG-O 3.09Å; W59-I71 HydrophobicContact CB-CG2 4.15Å; W59-I71 HydrophobicContact CD2-CG2 4.2Å; W59-I71 HydrophobicContact CE3-CG2 3.85Å; W59-I71 HydrophobicContact CG-CG2 4.34Å; W59-W72 CarbonylContact C-O 3.59Å; W59-W72 WeakPolarHBondContact CA-O 3.41Å; W59-E80 HydrophobicContact CE3-CB 4.45Å; W59-E80 HydrophobicContact CE3-CG 4.4Å; W59-E80 HydrophobicContact CH2-CG 4.08Å; W59-E80 HydrophobicContact CZ3-CB 3.92Å; W59-E80 HydrophobicContact CZ3-CG 3.71Å; W59-W95 HydrophobicContact CB-CH2 3.73Å; W59-W95 HydrophobicContact CB-CZ2 3.78Å; W59-W95 HydrophobicContact CG-CH2 4.26Å
60	L	98.9	Very high	98.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.3	163.1	-176.9	69.2	0	0	0	107.9	L41 V51 F53 I71 W72 A317 I327 L329	L41-L60 HydrophobicContact CD2-CD2 4.27Å; V51-L60 HydrophobicContact CB-CD1 4.14Å; F53-L60 HydrophobicContact CD1-CB 4.28Å; F53-L60 HydrophobicContact CD1-CD1 3.9Å; F53-L60 HydrophobicContact CD2-CD1 4.28Å; F53-L60 HydrophobicContact CE1-CB 4.26Å; F53-L60 HydrophobicContact CE1-CD1 3.93Å; F53-L60 HydrophobicContact CE2-CD1 4.31Å; F53-L60 HydrophobicContact CG-CD1 4.09Å; F53-L60 HydrophobicContact CZ-CD1 4.14Å; L60-I71 CarbonylContact O-C 3.59Å; L60-I71 WeakPolarHBondContact O-CA 3.36Å; L60-W72 HydrophobicContact CB-CB 4.32Å; L60-W72 PolarHBondContact N-O 2.81Å; L60-W72 PolarHBondContact O-N 3.06Å; L60-A317 HydrophobicContact CD1-CB 3.74Å; L60-A317 HydrophobicContact CD2-CB 3.8Å; L60-A317 HydrophobicContact CG-CB 4.46Å; L60-I327 HydrophobicContact CD2-CG2 3.8Å; L60-L329 HydrophobicContact CD2-CD2 4.02Å
61	A	98.9	Very high	98.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.3	166.9	0	0	0	0	0	109.7	V51 K52 K70 I71 V93 W95 L102	V51-A61 CarbonylContact C-O 3.51Å; V51-A61 VanDerWaalsContact CA-O 3.29Å; V51-A61 WeakPolarHBondContact CA-O 3.31Å; K52-A61 PolarHBondContact N-O 2.83Å; K52-A61 PolarHBondContact O-N 2.85Å; A61-K70 CarbonylContact C-O 3.53Å; A61-K70 WeakPolarHBondContact CA-O 3.37Å; A61-I71 HydrophobicContact CB-CD1 3.82Å; A61-V93 HydrophobicContact CB-CG1 4.4Å; A61-V93 HydrophobicContact CB-CG2 4.38Å; A61-W95 HydrophobicContact CB-CZ2 3.63Å; A61-L102 HydrophobicContact CB-CD1 3.96Å; A61-L102 HydrophobicContact CB-CD2 4.09Å
62	S	98.9	Very high	98.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	141	172.2	63.2	0	0	0	0	111.4	H44 S50 I69 K70 W72 I327	H44-S62 PolarHBondContact NE2-OG 2.84Å; S50-S62 CarbonylContact O-C 3.52Å; S50-S62 VanDerWaalsContact O-CA 3.26Å; S50-S62 WeakPolarHBondContact O-CA 3.32Å; S62-I69 CarbonylContact O-C 3.55Å; S62-I69 WeakPolarHBondContact O-CA 3.36Å; S62-K70 PolarHBondContact N-O 2.81Å; S62-K70 PolarHBondContact O-N 2.75Å; S62-K70 PolarHBondContact OG-O 3.25Å; S62-W72 PolarHBondContact OG-NE1 3.12Å; S62-I327 WeakPolarHBondContact OG-CD1 3.44Å
63	S	98.9	Very high	98.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	157.3	171	58.6	0	0	0	0	111.6	V48 S49 S50 I90	V48-S63 WeakPolarHBondContact CA-O 3.4Å; V48-S63 VanDerWaalsContact CG1-O 3.27Å; V48-S63 WeakPolarHBondContact CG1-O 3.47Å; S49-S63 PolarHBondContact N-O 3.47Å; S49-S63 VanDerWaalsContact OG-C 3.27Å; S49-S63 PolarHBondContact OG-O 2.88Å; S49-S63 VanDerWaalsContact OG-O 3.11Å; S49-S63 PolarHBondContact OG-OG 2.96Å; S50-S63 WeakPolarHBondContact CB-OG 3.42Å; S50-S63 PolarHBondContact N-OG 3Å; S50-S63 PolarHBondContact O-N 3.46Å; S63-I90 VanDerWaalsContact CB-CG2 3.43Å
64	S	98.9	Very high	98.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	160	-177.9	170.2	0	0	0	0	113.1	H44 K46 A47 D66 K67 L68 I90	H44-S64 VanDerWaalsContact CE1-CB 3.46Å; H44-S64 WeakPolarHBondContact CE1-CB 3.43Å; H44-S64 WeakPolarHBondContact ND1-CB 3.47Å; K46-S64 PolarHBondContact O-OG 2.92Å; K46-S64 VanDerWaalsContact O-OG 3.1Å; A47-S64 VanDerWaalsContact O-CA 3.31Å; A47-S64 WeakPolarHBondContact O-CA 3.38Å; A47-S64 VanDerWaalsContact O-CB 3.32Å; A47-S64 WeakPolarHBondContact O-CB 3.39Å; A47-S64 PolarHBondContact O-OG 2.86Å; S64-D66 VanDerWaalsContact CB-OD1 3.24Å; S64-D66 WeakPolarHBondContact CB-OD1 3.19Å; S64-D66 PolarHBondContact O-N 2.92Å; S64-D66 VanDerWaalsContact O-N 3.14Å; S64-D66 VanDerWaalsContact OG-CG 3.23Å; S64-D66 PolarHBondContact OG-N 3Å; S64-D66 VanDerWaalsContact OG-N 3.08Å; S64-D66 PolarHBondContact OG-OD1 2.88Å; S64-K67 PolarHBondContact O-N 2.81Å; S64-K67 VanDerWaalsContact O-N 3.12Å; S64-L68 PolarHBondContact N-O 3.42Å; S64-I90 PolarHBondContact O-N 3.3Å; S64-I90 VanDerWaalsContact O-N 3.09Å
65	A	98.9	Very high	98.9	Very high	39 Å²	39	30.9 Å²	30.9	32%	0.322	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-11.3	167.2	0	0	0	0	0	113.5	K46 A47 K67	K46-A65 HydrophobicContact CB-CB 4.02Å; K46-A65 HydrophobicContact CD-CB 4.32Å; A47-A65 HydrophobicContact CB-CB 4.47Å; A47-A65 PolarHBondContact O-N 2.93Å; A65-K67 PolarHBondContact O-N 3.03Å
66	D	98.8	Very high	98.8	Very high	11 Å²	11	31 Å²	31	6%	0.059	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	1.7	171.6	70.5	12.8	0	0	0	114.2	H44 T45 K46 S64 L68	H44-D66 VanDerWaalsContact CA-OD2 3.31Å; H44-D66 WeakPolarHBondContact CA-OD2 3.41Å; H44-D66 WeakPolarHBondContact CB-OD2 3.35Å; H44-D66 IonicContact CE1-OD1 3.98Å; H44-D66 IonicContact CE1-OD2 2.87Å; H44-D66 IonicContact CG-OD2 3.16Å; H44-D66 IonicContact ND1-OD1 2.71Å; H44-D66 PolarHBondContact ND1-OD1 2.97Å; H44-D66 IonicContact ND1-OD2 3.3Å; H44-D66 PolarHBondContact ND1-OD2 3.28Å; T45-D66 PolarHBondContact N-OD2 3.29Å; T45-D66 WeakPolarHBondContact OG1-CB 3.48Å; K46-D66 HydrophobicContact CB-CB 4.03Å; K46-D66 HydrophobicContact CG-CB 4.21Å; S64-D66 VanDerWaalsContact CB-OD1 3.24Å; S64-D66 WeakPolarHBondContact CB-OD1 3.19Å; S64-D66 PolarHBondContact O-N 2.92Å; S64-D66 VanDerWaalsContact O-N 3.14Å; S64-D66 VanDerWaalsContact OG-CG 3.23Å; S64-D66 PolarHBondContact OG-N 3Å; S64-D66 VanDerWaalsContact OG-N 3.08Å; S64-D66 PolarHBondContact OG-OD1 2.88Å; D66-L68 VanDerWaalsContact C-N 3.29Å; D66-L68 WeakPolarHBondContact OD1-CB 3.45Å; D66-L68 WeakPolarHBondContact OD1-CG 3.45Å; D66-L68 PolarHBondContact OD1-N 3.28Å
67	K	98.9	Very high	98.8	Very high	98 Å²	98	28.1 Å²	28.1	43%	0.426	14%	0.138	S	C	.	.	S	Bend	trans	76.9	10.1	177.6	-39.3	170	-76.3	-173.4	0	113.9	S64 A65 K87 L88	S64-K67 PolarHBondContact O-N 2.81Å; S64-K67 VanDerWaalsContact O-N 3.12Å; A65-K67 PolarHBondContact O-N 3.03Å; K67-K87 VanDerWaalsContact CD-O 3.26Å; K67-K87 WeakPolarHBondContact CD-O 3.19Å; K67-L88 WeakPolarHBondContact CB-O 3.26Å; K67-L88 VanDerWaalsContact CG-C 3.5Å; K67-L88 WeakPolarHBondContact CG-O 3.5Å
68	L	98.9	Very high	98.8	Very high	44 Å²	44	34.8 Å²	34.8	23%	0.23	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	150.9	-175.4	-52.8	176.1	0	0	0	111.6	S64 D66 T82	S64-L68 PolarHBondContact N-O 3.42Å; D66-L68 VanDerWaalsContact C-N 3.29Å; D66-L68 WeakPolarHBondContact OD1-CB 3.45Å; D66-L68 WeakPolarHBondContact OD1-CG 3.45Å; D66-L68 PolarHBondContact OD1-N 3.28Å; L68-T82 HydrophobicContact CB-CG2 4.12Å; L68-T82 HydrophobicContact CD1-CG2 4.04Å; L68-T82 HydrophobicContact CD2-CG2 3.99Å; L68-T82 HydrophobicContact CG-CG2 4.28Å
69	I	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.9	160.1	-58.8	166.9	0	0	0	107.3	S62 I71 T82 I83 I90 V93 L102	S62-I69 CarbonylContact O-C 3.55Å; S62-I69 WeakPolarHBondContact O-CA 3.36Å; I69-I71 HydrophobicContact CG2-CD1 4.16Å; I69-T82 CarbonylContact O-C 3.45Å; I69-T82 WeakPolarHBondContact O-CA 3.46Å; I69-I83 HydrophobicContact CB-CB 4.17Å; I69-I83 PolarHBondContact N-O 2.8Å; I69-I83 PolarHBondContact O-N 2.87Å; I69-I90 HydrophobicContact CD1-CD1 4.36Å; I69-I90 HydrophobicContact CG1-CD1 3.72Å; I69-V93 HydrophobicContact CD1-CG2 4.31Å; I69-V93 HydrophobicContact CG2-CG2 4.46Å; I69-L102 HydrophobicContact CG2-CD1 4.02Å
70	K	98.9	Very high	98.8	Very high	21 Å²	21	36.4 Å²	36.4	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.4	171.7	-68.1	177.9	-179	-78.7	0	110.4	G43 A61 S62 W72 F79 K81 T82	G43-K70 WeakPolarHBondContact O-CE 3.43Å; A61-K70 CarbonylContact C-O 3.53Å; A61-K70 WeakPolarHBondContact CA-O 3.37Å; S62-K70 PolarHBondContact N-O 2.81Å; S62-K70 PolarHBondContact O-N 2.75Å; S62-K70 PolarHBondContact OG-O 3.25Å; K70-W72 HydrophobicContact CB-CZ2 3.64Å; K70-W72 HydrophobicContact CD-CH2 4.05Å; K70-W72 HydrophobicContact CD-CZ2 3.55Å; K70-W72 HydrophobicContact CG-CZ2 4.23Å; K70-F79 HydrophobicContact CB-CE2 4.39Å; K70-F79 HydrophobicContact CD-CE2 4.32Å; K70-F79 HydrophobicContact CG-CE2 4.2Å; K70-K81 WeakPolarHBondContact CA-O 3.2Å; K70-T82 PolarHBondContact NZ-OG1 3.23Å; K70-T82 VanDerWaalsContact NZ-OG1 3.08Å
71	I	98.9	Very high	98.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137.7	176.5	-50.5	-58.6	0	0	0	108.4	W59 L60 A61 I69 E80 K81 I83 W95 L102	W59-I71 HydrophobicContact CB-CG2 4.15Å; W59-I71 HydrophobicContact CD2-CG2 4.2Å; W59-I71 HydrophobicContact CE3-CG2 3.85Å; W59-I71 HydrophobicContact CG-CG2 4.34Å; L60-I71 CarbonylContact O-C 3.59Å; L60-I71 WeakPolarHBondContact O-CA 3.36Å; A61-I71 HydrophobicContact CB-CD1 3.82Å; I69-I71 HydrophobicContact CG2-CD1 4.16Å; I71-E80 HydrophobicContact CB-CB 4.24Å; I71-E80 HydrophobicContact CG2-CB 4.16Å; I71-E80 HydrophobicContact CG2-CG 4.39Å; I71-E80 WeakPolarHBondContact O-CB 3.18Å; I71-E80 PolarHBondContact O-N 3.14Å; I71-K81 HydrophobicContact CB-CG 4.04Å; I71-K81 HydrophobicContact CG1-CG 3.92Å; I71-K81 PolarHBondContact N-O 2.73Å; I71-K81 PolarHBondContact O-N 3.15Å; I71-I83 HydrophobicContact CD1-CD1 4.34Å; I71-I83 HydrophobicContact CG1-CD1 4.2Å; I71-W95 HydrophobicContact CD1-CH2 4.29Å; I71-W95 HydrophobicContact CD1-CZ2 4.26Å; I71-L102 HydrophobicContact CD1-CD1 3.64Å
72	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	148.8	-177.4	-40	83.3	0	0	0	110	L41 A42 W59 L60 S62 K70 A74 K78 F79 I327	L41-W72 HydrophobicContact CB-CD2 4.35Å; L41-W72 HydrophobicContact CB-CE3 4Å; L41-W72 HydrophobicContact CB-CH2 4.3Å; L41-W72 HydrophobicContact CB-CZ3 3.98Å; L41-W72 HydrophobicContact CD2-CB 3.67Å; L41-W72 HydrophobicContact CD2-CD2 3.59Å; L41-W72 HydrophobicContact CD2-CE3 3.73Å; L41-W72 HydrophobicContact CD2-CG 3.56Å; L41-W72 HydrophobicContact CG-CD2 4.23Å; L41-W72 HydrophobicContact CG-CE3 3.88Å; L41-W72 HydrophobicContact CG-CZ3 4.31Å; A42-W72 WeakPolarHBondContact O-CH2 3.23Å; W59-W72 CarbonylContact C-O 3.59Å; W59-W72 WeakPolarHBondContact CA-O 3.41Å; L60-W72 HydrophobicContact CB-CB 4.32Å; L60-W72 PolarHBondContact N-O 2.81Å; L60-W72 PolarHBondContact O-N 3.06Å; S62-W72 PolarHBondContact OG-NE1 3.12Å; K70-W72 HydrophobicContact CB-CZ2 3.64Å; K70-W72 HydrophobicContact CD-CH2 4.05Å; K70-W72 HydrophobicContact CD-CZ2 3.55Å; K70-W72 HydrophobicContact CG-CZ2 4.23Å; W72-A74 PolarHBondContact O-N 2.92Å; W72-K78 CarbonylContact C-O 3.6Å; W72-K78 WeakPolarHBondContact CA-O 3.37Å; W72-F79 HydrophobicContact CE3-CB 3.77Å; W72-F79 HydrophobicContact CE3-CD2 4.13Å; W72-F79 HydrophobicContact CE3-CG 4.47Å; W72-F79 HydrophobicContact CH2-CD2 4.12Å; W72-F79 HydrophobicContact CZ3-CB 3.7Å; W72-F79 AromaticContact CZ3-CD2 3.91Å; W72-F79 HydrophobicContact CZ3-CD2 3.91Å; W72-F79 HydrophobicContact CZ3-CG 4.27Å; W72-I327 HydrophobicContact CZ2-CD1 4.29Å
73	G	98.8	Very high	98.8	Very high	8 Å²	8	41.9 Å²	41.9	8%	0.082	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	127.3	169.1	0	0	0	0	0	110.7	Y75 G77 K78	G73-Y75 VanDerWaalsContact C-N 3.3Å; G73-Y75 PolarHBondContact O-N 3.32Å; G73-G77 VanDerWaalsContact O-CA 3.28Å; G73-G77 WeakPolarHBondContact O-CA 3.48Å; G73-G77 PolarHBondContact O-N 3.34Å; G73-K78 PolarHBondContact N-O 3.08Å
74	A	98.8	Very high	98.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.008	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-28.8	-175.1	0	0	0	0	0	113.5	F53 G57 E58 W72	F53-A74 HydrophobicContact CD1-CB 3.82Å; F53-A74 HydrophobicContact CE1-CB 3.77Å; G57-A74 WeakPolarHBondContact O-CB 3.46Å; E58-A74 WeakPolarHBondContact O-CB 3.31Å; E58-A74 PolarHBondContact O-N 3.12Å; W72-A74 PolarHBondContact O-N 2.92Å
75	Y	98.6	Very high	98.8	Very high	117 Å²	117	47.5 Å²	47.5	46%	0.459	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-27.3	-173.1	-58.4	-75.1	0	0	0	114.2	F39 G57 G73 H310 E313 I315	F39-Y75 VanDerWaalsContact CE2-O 3.28Å; F39-Y75 WeakPolarHBondContact CE2-O 3.22Å; G57-Y75 VanDerWaalsContact O-CE2 3.23Å; G57-Y75 WeakPolarHBondContact O-CE2 3.48Å; G57-Y75 PolarHBondContact O-OH 2.87Å; G73-Y75 VanDerWaalsContact C-N 3.3Å; G73-Y75 PolarHBondContact O-N 3.32Å; Y75-H310 AromaticContact CE1-CE1 4Å; Y75-H310 AromaticContact CE1-NE2 3.89Å; Y75-H310 AromaticContact CZ-CE1 3.92Å; Y75-H310 AromaticContact CZ-NE2 3.74Å; Y75-H310 PolarHBondContact OH-CE1 3.11Å; Y75-E313 HydrophobicContact CE1-CG 3.96Å; Y75-I315 HydrophobicContact CD1-CD1 4.1Å; Y75-I315 HydrophobicContact CE1-CD1 4.43Å
76	D	98.3	Very high	98.8	Very high	62 Å²	62	46.2 Å²	46.2	33%	0.332	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-4.9	-174.4	67.2	-0.2	0	0	0	113.6	F39 K78	F39-D76 WeakPolarHBondContact CD1-O 3.48Å; F39-D76 WeakPolarHBondContact CE1-O 3.4Å; D76-K78 HydrophobicContact CB-CG 4.35Å; D76-K78 PolarHBondContact O-N 3.38Å; D76-K78 WeakPolarHBondContact OD1-CB 3.34Å; D76-K78 PolarHBondContact OD1-N 2.74Å; D76-K78 WeakPolarHBondContact OD2-CD 3.45Å; D76-K78 WeakPolarHBondContact OD2-CE 3.27Å; D76-K78 WeakPolarHBondContact OD2-CG 3.34Å; D76-K78 IonicContact OD2-NZ 3.35Å; D76-K78 PolarHBondContact OD2-NZ 3.1Å
77	G	98.4	Very high	98.8	Very high	11 Å²	11	53.7 Å²	53.7	11%	0.113	27%	0.27	C	S	.	.			trans	66.6	11.9	-179.8	0	0	0	0	0	114.2	L41 G73	L41-G77 WeakPolarHBondContact CG-O 3.26Å; G73-G77 VanDerWaalsContact O-CA 3.28Å; G73-G77 WeakPolarHBondContact O-CA 3.48Å; G73-G77 PolarHBondContact O-N 3.34Å
78	K	98.6	Very high	98.8	Very high	141 Å²	141	53.3 Å²	53.3	61%	0.613	27%	0.272	S	S	*	.			trans	-69	136.6	-178.2	-73.6	-175.7	-165.7	157.3	0	110.8	W72 G73 D76 E80	W72-K78 CarbonylContact C-O 3.6Å; W72-K78 WeakPolarHBondContact CA-O 3.37Å; G73-K78 PolarHBondContact N-O 3.08Å; D76-K78 HydrophobicContact CB-CG 4.35Å; D76-K78 PolarHBondContact O-N 3.38Å; D76-K78 WeakPolarHBondContact OD1-CB 3.34Å; D76-K78 PolarHBondContact OD1-N 2.74Å; D76-K78 WeakPolarHBondContact OD2-CD 3.45Å; D76-K78 WeakPolarHBondContact OD2-CE 3.27Å; D76-K78 WeakPolarHBondContact OD2-CG 3.34Å; D76-K78 IonicContact OD2-NZ 3.35Å; D76-K78 PolarHBondContact OD2-NZ 3.1Å; K78-E80 PolarHBondContact O-N 3.09Å
79	F	98.8	Very high	98.8	Very high	104 Å²	104	51.6 Å²	51.6	46%	0.456	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	129	170.9	171.4	-101.3	0	0	0	110.3	K70 W72 K81 T82	K70-F79 HydrophobicContact CB-CE2 4.39Å; K70-F79 HydrophobicContact CD-CE2 4.32Å; K70-F79 HydrophobicContact CG-CE2 4.2Å; W72-F79 HydrophobicContact CE3-CB 3.77Å; W72-F79 HydrophobicContact CE3-CD2 4.13Å; W72-F79 HydrophobicContact CE3-CG 4.47Å; W72-F79 HydrophobicContact CH2-CD2 4.12Å; W72-F79 HydrophobicContact CZ3-CB 3.7Å; W72-F79 AromaticContact CZ3-CD2 3.91Å; W72-F79 HydrophobicContact CZ3-CD2 3.91Å; W72-F79 HydrophobicContact CZ3-CG 4.27Å; F79-K81 VanDerWaalsContact CE2-C 3.46Å; F79-K81 WeakPolarHBondContact CE2-O 3.16Å; F79-K81 VanDerWaalsContact CZ-C 3.4Å; F79-T82 WeakPolarHBondContact CE2-OG1 3.1Å; F79-T82 WeakPolarHBondContact CZ-OG1 3.32Å
80	E	98.7	Very high	98.8	Very high	99 Å²	99	51.7 Å²	51.7	46%	0.463	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-58.2	-179.8	179.5	61.6	-154.6	0	0	111.1	W59 I71 K78	W59-E80 HydrophobicContact CE3-CB 4.45Å; W59-E80 HydrophobicContact CE3-CG 4.4Å; W59-E80 HydrophobicContact CH2-CG 4.08Å; W59-E80 HydrophobicContact CZ3-CB 3.92Å; W59-E80 HydrophobicContact CZ3-CG 3.71Å; I71-E80 HydrophobicContact CB-CB 4.24Å; I71-E80 HydrophobicContact CG2-CB 4.16Å; I71-E80 HydrophobicContact CG2-CG 4.39Å; I71-E80 WeakPolarHBondContact O-CB 3.18Å; I71-E80 PolarHBondContact O-N 3.14Å; K78-E80 PolarHBondContact O-N 3.09Å
81	K	98.7	Very high	98.8	Very high	56 Å²	56	51.8 Å²	51.8	24%	0.243	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	164.4	-178.9	66.1	-175.3	68.1	168.2	0	113.3	K70 I71 F79 V116 S117	K70-K81 WeakPolarHBondContact CA-O 3.2Å; I71-K81 HydrophobicContact CB-CG 4.04Å; I71-K81 HydrophobicContact CG1-CG 3.92Å; I71-K81 PolarHBondContact N-O 2.73Å; I71-K81 PolarHBondContact O-N 3.15Å; F79-K81 VanDerWaalsContact CE2-C 3.46Å; F79-K81 WeakPolarHBondContact CE2-O 3.16Å; F79-K81 VanDerWaalsContact CZ-C 3.4Å; K81-V116 PolarHBondContact NZ-O 3.37Å; K81-S117 PolarHBondContact NZ-O 2.78Å
82	T	98.9	Very high	98.8	Very high	56 Å²	56	52 Å²	52	34%	0.344	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.5	169.2	-64.9	0	0	0	0	109.3	L68 I69 K70 F79	L68-T82 HydrophobicContact CB-CG2 4.12Å; L68-T82 HydrophobicContact CD1-CG2 4.04Å; L68-T82 HydrophobicContact CD2-CG2 3.99Å; L68-T82 HydrophobicContact CG-CG2 4.28Å; I69-T82 CarbonylContact O-C 3.45Å; I69-T82 WeakPolarHBondContact O-CA 3.46Å; K70-T82 PolarHBondContact NZ-OG1 3.23Å; K70-T82 VanDerWaalsContact NZ-OG1 3.08Å; F79-T82 WeakPolarHBondContact CE2-OG1 3.1Å; F79-T82 WeakPolarHBondContact CZ-OG1 3.32Å
83	I	98.9	Very high	98.8	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.6	172	-57.8	173.8	0	0	0	107.4	I69 I71 L102 W114	I69-I83 HydrophobicContact CB-CB 4.17Å; I69-I83 PolarHBondContact N-O 2.8Å; I69-I83 PolarHBondContact O-N 2.87Å; I71-I83 HydrophobicContact CD1-CD1 4.34Å; I71-I83 HydrophobicContact CG1-CD1 4.2Å; I83-L102 HydrophobicContact CD1-CD1 4.39Å; I83-W114 HydrophobicContact CG2-CB 4.43Å; I83-W114 HydrophobicContact CG2-CD2 3.58Å; I83-W114 HydrophobicContact CG2-CE3 3.27Å; I83-W114 HydrophobicContact CG2-CG 4.09Å; I83-W114 HydrophobicContact CG2-CH2 4.29Å; I83-W114 HydrophobicContact CG2-CZ3 3.66Å
84	S	98.8	Very high	98.8	Very high	76 Å²	76	51.5 Å²	51.5	53%	0.531	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.2	-173.5	63.2	0	0	0	0	111.7	W114	S84-W114 WeakPolarHBondContact O-CZ3 3.41Å
85	G	98.8	Very high	98.8	Very high	42 Å²	42	52.3 Å²	52.3	43%	0.433	27%	0.269	S	S	.	.			trans	152	-7.9	172	0	0	0	0	0	115.1	K112	G85-K112 VanDerWaalsContact O-CE 3.31Å; G85-K112 WeakPolarHBondContact O-CE 3.4Å
86	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	-68.3	150.1	163.7	-85.2	-66.4	0	0	0	111.2	I90 S104 S106 D108 W114	H86-I90 HydrophobicContact CB-CD1 4.25Å; H86-I90 HydrophobicContact CB-CG1 4.1Å; H86-S104 PolarHBondContact CD2-OG 3.09Å; H86-S104 VanDerWaalsContact CD2-OG 3.28Å; H86-S104 PolarHBondContact NE2-OG 2.76Å; H86-S106 WeakPolarHBondContact CE1-CB 3.31Å; H86-S106 WeakPolarHBondContact ND1-CB 3.34Å; H86-D108 WeakPolarHBondContact CA-OD2 3.31Å; H86-D108 IonicContact CE1-OD1 3.38Å; H86-D108 IonicContact CE1-OD2 3.38Å; H86-D108 IonicContact CG-OD2 2.81Å; H86-D108 IonicContact ND1-OD1 3.74Å; H86-D108 PolarHBondContact ND1-OD1 3.29Å; H86-D108 IonicContact ND1-OD2 4Å; H86-D108 PolarHBondContact ND1-OD2 3.03Å; H86-W114 AromaticContact CD2-CZ2 3.79Å
87	K	98.8	Very high	98.8	Very high	168 Å²	168	46.8 Å²	46.8	73%	0.73	25%	0.252	S	S	*	.	S	Bend	trans	-91.2	-25	-177.5	-63	-176.1	179.8	-175.6	0	112.9	K67 D108	K67-K87 VanDerWaalsContact CD-O 3.26Å; K67-K87 WeakPolarHBondContact CD-O 3.19Å; K87-D108 HydrophobicContact CB-CB 3.99Å; K87-D108 PolarHBondContact N-OD2 3.23Å
88	L	98.9	Very high	98.8	Very high	89 Å²	89	50.3 Å²	50.3	47%	0.466	27%	0.268	S	S	.	.	S	Bend	trans	-133.5	-178.2	179.2	-60	175.6	0	0	0	110.4	K67 S106 D107 D108	K67-L88 WeakPolarHBondContact CB-O 3.26Å; K67-L88 VanDerWaalsContact CG-C 3.5Å; K67-L88 WeakPolarHBondContact CG-O 3.5Å; L88-S106 PolarHBondContact O-OG 3.31Å; L88-D107 HydrophobicContact CB-CB 3.84Å; L88-D107 HydrophobicContact CD1-CB 4.31Å; L88-D108 HydrophobicContact CB-CB 4.14Å; L88-D108 HydrophobicContact CD1-CB 4.4Å; L88-D108 HydrophobicContact CG-CB 4.23Å
89	G	98.8	Very high	98.8	Very high	8 Å²	8	43.9 Å²	43.9	8%	0.082	24%	0.242	C	C	.	.			trans	-54.5	150.8	-175.1	0	0	0	0	0	112.1	S106 D107	G89-S106 VanDerWaalsContact O-CA 3.26Å; G89-S106 WeakPolarHBondContact O-CA 3.42Å; G89-S106 WeakPolarHBondContact O-CB 3.46Å; G89-S106 PolarHBondContact O-OG 3.04Å; G89-D107 PolarHBondContact O-N 3Å
90	I	98.9	Very high	98.8	Very high	3 Å²	3	43 Å²	43	2%	0.015	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.5	176.4	-57.2	174.9	0	0	0	107	S49 S63 S64 I69 H86 D92 A105	S49-I90 VanDerWaalsContact CB-O 3.25Å; S49-I90 WeakPolarHBondContact CB-O 3.24Å; S49-I90 PolarHBondContact OG-O 2.99Å; S63-I90 VanDerWaalsContact CB-CG2 3.43Å; S64-I90 PolarHBondContact O-N 3.3Å; S64-I90 VanDerWaalsContact O-N 3.09Å; I69-I90 HydrophobicContact CD1-CD1 4.36Å; I69-I90 HydrophobicContact CG1-CD1 3.72Å; H86-I90 HydrophobicContact CB-CD1 4.25Å; H86-I90 HydrophobicContact CB-CG1 4.1Å; I90-D92 VanDerWaalsContact CG2-O 3.3Å; I90-D92 WeakPolarHBondContact CG2-O 3.39Å; I90-A105 CarbonylContact C-O 3.58Å; I90-A105 WeakPolarHBondContact CA-O 3.34Å; I90-A105 VanDerWaalsContact CG2-O 3.28Å; I90-A105 WeakPolarHBondContact CG2-O 3.16Å
91	S	98.9	Very high	98.8	Very high	23 Å²	23	39.8 Å²	39.8	16%	0.161	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-30.8	-179.4	-73.2	0	0	0	0	112.2	S49 A105 D107 F133	S49-S91 WeakPolarHBondContact CB-O 3.28Å; S49-S91 PolarHBondContact OG-O 2.98Å; S91-A105 PolarHBondContact N-O 2.95Å; S91-D107 PolarHBondContact OG-OD1 2.8Å; S91-F133 VanDerWaalsContact CB-O 3.31Å; S91-F133 WeakPolarHBondContact CB-O 3.27Å
92	D	98.9	Very high	98.8	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.032	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	159.6	180	-163.3	21.8	0	0	0	113.2	S50 K52 I90 S104 A105 F133 C135 F263	S50-D92 WeakPolarHBondContact CB-OD1 3.36Å; S50-D92 PolarHBondContact OG-OD1 2.95Å; K52-D92 IonicContact NZ-OD1 3.43Å; K52-D92 PolarHBondContact NZ-OD1 3.1Å; K52-D92 IonicContact NZ-OD2 3.93Å; I90-D92 VanDerWaalsContact CG2-O 3.3Å; I90-D92 WeakPolarHBondContact CG2-O 3.39Å; D92-S104 VanDerWaalsContact O-CA 3.31Å; D92-S104 WeakPolarHBondContact O-CA 3.38Å; D92-A105 HydrophobicContact CB-CB 4.38Å; D92-A105 PolarHBondContact O-N 3.44Å; D92-F133 WeakPolarHBondContact CB-O 3.49Å; D92-C135 PolarHBondContact OD2-N 2.89Å; D92-C135 VanDerWaalsContact OD2-N 3.15Å; D92-F263 WeakPolarHBondContact OD1-CZ 3.26Å
93	V	98.9	Very high	98.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	145.4	175.9	66.9	0	0	0	0	109.8	K52 A61 I69 L102 V103	K52-V93 HydrophobicContact CG-CG1 4.37Å; K52-V93 WeakPolarHBondContact CG-O 3.49Å; K52-V93 PolarHBondContact NZ-O 3.02Å; A61-V93 HydrophobicContact CB-CG1 4.4Å; A61-V93 HydrophobicContact CB-CG2 4.38Å; I69-V93 HydrophobicContact CD1-CG2 4.31Å; I69-V93 HydrophobicContact CG2-CG2 4.46Å; V93-L102 HydrophobicContact CG2-CB 4.45Å; V93-L102 HydrophobicContact CG2-CD1 4.24Å; V93-L102 HydrophobicContact CG2-CD2 3.78Å; V93-L102 HydrophobicContact CG2-CG 4.39Å; V93-V103 CarbonylContact C-O 3.59Å; V93-V103 VanDerWaalsContact CA-O 3.27Å; V93-V103 WeakPolarHBondContact CA-O 3.15Å; V93-V103 WeakPolarHBondContact CG2-O 3.35Å
94	A	98.9	Very high	98.9	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.033	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147.6	176.9	0	0	0	0	0	112.2	L102 V103	A94-L102 CarbonylContact O-C 3.53Å; A94-L102 WeakPolarHBondContact O-CA 3.1Å; A94-L102 VanDerWaalsContact O-CD2 3.3Å; A94-L102 WeakPolarHBondContact O-CD2 3.33Å; A94-V103 HydrophobicContact CB-CG1 3.88Å; A94-V103 PolarHBondContact N-O 3.47Å; A94-V103 PolarHBondContact O-N 3.19Å
95	W	98.9	Very high	98.9	Very high	18 Å²	18	30.7 Å²	30.7	7%	0.068	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	147.1	179.2	-68.8	93	0	0	0	112.3	K52 F53 P55 W59 A61 I71 S99 L101 L102 V116 F137	K52-W95 PolarHBondContact O-NE1 3.18Å; F53-W95 VanDerWaalsContact O-CD1 3.29Å; P55-W95 HydrophobicContact CG-CB 4.3Å; W59-W95 HydrophobicContact CB-CH2 3.73Å; W59-W95 HydrophobicContact CB-CZ2 3.78Å; W59-W95 HydrophobicContact CG-CH2 4.26Å; A61-W95 HydrophobicContact CB-CZ2 3.63Å; I71-W95 HydrophobicContact CD1-CH2 4.29Å; I71-W95 HydrophobicContact CD1-CZ2 4.26Å; W95-S99 WeakPolarHBondContact CZ3-O 3.5Å; W95-L101 WeakPolarHBondContact CA-O 3.16Å; W95-L102 HydrophobicContact CB-CD2 4.29Å; W95-L102 HydrophobicContact CD2-CD2 3.36Å; W95-L102 HydrophobicContact CD2-CG 4.15Å; W95-L102 HydrophobicContact CE3-CD2 3.78Å; W95-L102 HydrophobicContact CE3-CG 4.08Å; W95-L102 HydrophobicContact CG-CD2 3.59Å; W95-L102 HydrophobicContact CZ2-CD1 4.47Å; W95-L102 HydrophobicContact CZ2-CD2 4.2Å; W95-L102 HydrophobicContact CZ3-CD2 4.37Å; W95-L102 HydrophobicContact CZ3-CG 4.3Å; W95-V116 HydrophobicContact CE3-CG2 4.23Å; W95-V116 HydrophobicContact CH2-CG1 3.88Å; W95-V116 HydrophobicContact CH2-CG2 4.17Å; W95-V116 HydrophobicContact CZ3-CB 4.19Å; W95-V116 HydrophobicContact CZ3-CG1 3.88Å; W95-V116 HydrophobicContact CZ3-CG2 3.59Å; W95-F137 VanDerWaalsContact C-CD2 3.41Å; W95-F137 WeakPolarHBondContact O-CD2 3.47Å
96	S	98.9	Very high	98.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.			trans	-68.7	154.8	158.4	57.6	0	0	0	0	110.6	P55 D98 S99 N100 L101 S141	P55-S96 WeakPolarHBondContact CG-O 3.31Å; S96-D98 WeakPolarHBondContact CB-OD1 3.17Å; S96-D98 PolarHBondContact O-N 3.04Å; S96-D98 PolarHBondContact OG-OD1 3.47Å; S96-S99 PolarHBondContact O-N 3.33Å; S96-N100 PolarHBondContact OG-N 2.81Å; S96-L101 PolarHBondContact N-O 3.3Å; S96-L101 WeakPolarHBondContact OG-CA 3.15Å; S96-L101 WeakPolarHBondContact OG-CB 3.19Å; S96-L101 PolarHBondContact OG-N 3.39Å; S96-L101 PolarHBondContact OG-O 2.96Å; S96-S141 WeakPolarHBondContact CA-OG 3.25Å; S96-S141 WeakPolarHBondContact CB-OG 3.2Å
97	S	98.6	Very high	98.9	Very high	63 Å²	63	30.1 Å²	30.1	44%	0.441	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.6	-178.6	51.2	0	0	0	0	114.4	P55 P139 S141	P55-S97 WeakPolarHBondContact CB-O 3.24Å; S97-P139 VanDerWaalsContact CB-O 3.28Å; S97-P139 WeakPolarHBondContact CB-O 3.26Å; S97-P139 PolarHBondContact OG-O 3.08Å; S97-S141 PolarHBondContact N-OG 3.12Å; S97-S141 PolarHBondContact OG-OG 3.22Å
98	D	98.6	Very high	98.9	Very high	85 Å²	85	23.4 Å²	23.4	46%	0.455	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	1.5	175.3	70.9	-12.7	0	0	0	113.7	S96 N100	S96-D98 WeakPolarHBondContact CB-OD1 3.17Å; S96-D98 PolarHBondContact O-N 3.04Å; S96-D98 PolarHBondContact OG-OD1 3.47Å; D98-N100 VanDerWaalsContact CG-ND2 3.26Å; D98-N100 PolarHBondContact O-N 3.33Å; D98-N100 PolarHBondContact OD1-N 3.16Å; D98-N100 VanDerWaalsContact OD1-N 3.09Å; D98-N100 PolarHBondContact OD2-ND2 3.33Å
99	S	98.8	Very high	98.9	Very high	7 Å²	7	23.6 Å²	23.6	5%	0.049	13%	0.13	C	C	.	.	S	Bend	trans	62.5	12.3	-177.9	-47.3	0	0	0	0	115.5	P55 N56 W95 S96	P55-S99 WeakPolarHBondContact CD-OG 3.34Å; N56-S99 WeakPolarHBondContact CB-OG 3.45Å; N56-S99 PolarHBondContact N-OG 2.87Å; N56-S99 PolarHBondContact OD1-OG 3.5Å; W95-S99 WeakPolarHBondContact CZ3-O 3.5Å; S96-S99 PolarHBondContact O-N 3.33Å
100	N	98.8	Very high	98.9	Very high	86 Å²	86	24.1 Å²	24.1	46%	0.46	13%	0.131	S	C	.	.	S	Bend	trans	-91.7	-27.6	-177.9	-68.2	-42.5	0	0	0	113.4	S96 D98 V116	S96-N100 PolarHBondContact OG-N 2.81Å; D98-N100 VanDerWaalsContact CG-ND2 3.26Å; D98-N100 PolarHBondContact O-N 3.33Å; D98-N100 PolarHBondContact OD1-N 3.16Å; D98-N100 VanDerWaalsContact OD1-N 3.09Å; D98-N100 PolarHBondContact OD2-ND2 3.33Å; N100-V116 WeakPolarHBondContact O-CB 3.41Å; N100-V116 WeakPolarHBondContact O-CG2 3.26Å; N100-V116 PolarHBondContact O-N 2.88Å
101	L	98.9	Very high	98.9	Very high	30 Å²	30	24 Å²	24	16%	0.157	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.5	-176.7	-53.7	179.4	0	0	0	111.7	W95 S96 I113 W114 L122 F137 V158	W95-L101 WeakPolarHBondContact CA-O 3.16Å; S96-L101 PolarHBondContact N-O 3.3Å; S96-L101 WeakPolarHBondContact OG-CA 3.15Å; S96-L101 WeakPolarHBondContact OG-CB 3.19Å; S96-L101 PolarHBondContact OG-N 3.39Å; S96-L101 PolarHBondContact OG-O 2.96Å; L101-I113 HydrophobicContact CD1-CG2 4.31Å; L101-W114 VanDerWaalsContact CA-O 3.23Å; L101-W114 WeakPolarHBondContact CA-O 3.3Å; L101-W114 WeakPolarHBondContact CD2-O 3.35Å; L101-L122 HydrophobicContact CD2-CD1 3.67Å; L101-F137 HydrophobicContact CB-CZ 4.09Å; L101-V158 HydrophobicContact CD1-CG1 4.19Å
102	L	98.9	Very high	98.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	148.4	163.6	-77.9	174.9	0	0	0	110.1	A61 I69 I71 I83 V93 A94 W95 I113 W114 V116	A61-L102 HydrophobicContact CB-CD1 3.96Å; A61-L102 HydrophobicContact CB-CD2 4.09Å; I69-L102 HydrophobicContact CG2-CD1 4.02Å; I71-L102 HydrophobicContact CD1-CD1 3.64Å; I83-L102 HydrophobicContact CD1-CD1 4.39Å; V93-L102 HydrophobicContact CG2-CB 4.45Å; V93-L102 HydrophobicContact CG2-CD1 4.24Å; V93-L102 HydrophobicContact CG2-CD2 3.78Å; V93-L102 HydrophobicContact CG2-CG 4.39Å; A94-L102 CarbonylContact O-C 3.53Å; A94-L102 WeakPolarHBondContact O-CA 3.1Å; A94-L102 VanDerWaalsContact O-CD2 3.3Å; A94-L102 WeakPolarHBondContact O-CD2 3.33Å; W95-L102 HydrophobicContact CB-CD2 4.29Å; W95-L102 HydrophobicContact CD2-CD2 3.36Å; W95-L102 HydrophobicContact CD2-CG 4.15Å; W95-L102 HydrophobicContact CE3-CD2 3.78Å; W95-L102 HydrophobicContact CE3-CG 4.08Å; W95-L102 HydrophobicContact CG-CD2 3.59Å; W95-L102 HydrophobicContact CZ2-CD1 4.47Å; W95-L102 HydrophobicContact CZ2-CD2 4.2Å; W95-L102 HydrophobicContact CZ3-CD2 4.37Å; W95-L102 HydrophobicContact CZ3-CG 4.3Å; L102-I113 CarbonylContact O-C 3.56Å; L102-I113 WeakPolarHBondContact O-CA 3.29Å; L102-W114 HydrophobicContact CB-CB 4.27Å; L102-W114 PolarHBondContact N-O 2.89Å; L102-W114 PolarHBondContact O-N 2.86Å; L102-V116 HydrophobicContact CB-CG2 4.2Å; L102-V116 HydrophobicContact CD1-CG2 3.91Å; L102-V116 HydrophobicContact CG-CG2 3.62Å
103	V	99	Very high	98.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.1	160	63.6	0	0	0	0	108.7	V93 A94 L111 K112 C135 F137 I144	V93-V103 CarbonylContact C-O 3.59Å; V93-V103 VanDerWaalsContact CA-O 3.27Å; V93-V103 WeakPolarHBondContact CA-O 3.15Å; V93-V103 WeakPolarHBondContact CG2-O 3.35Å; A94-V103 HydrophobicContact CB-CG1 3.88Å; A94-V103 PolarHBondContact N-O 3.47Å; A94-V103 PolarHBondContact O-N 3.19Å; V103-L111 HydrophobicContact CG2-CB 4.08Å; V103-L111 HydrophobicContact CG2-CD2 3.88Å; V103-K112 VanDerWaalsContact CA-O 3.26Å; V103-K112 WeakPolarHBondContact CA-O 3.47Å; V103-C135 HydrophobicContact CG1-CB 4.27Å; V103-C135 HydrophobicContact CG2-CB 4.48Å; V103-F137 HydrophobicContact CB-CD2 4.38Å; V103-F137 HydrophobicContact CB-CE2 3.66Å; V103-F137 HydrophobicContact CB-CZ 4.03Å; V103-F137 HydrophobicContact CG1-CD2 3.69Å; V103-F137 HydrophobicContact CG1-CE2 3.46Å; V103-F137 VanDerWaalsContact CG1-CE2 3.46Å; V103-F137 HydrophobicContact CG1-CZ 4.23Å; V103-I144 HydrophobicContact CB-CD1 3.94Å; V103-I144 HydrophobicContact CB-CG1 4.37Å; V103-I144 HydrophobicContact CG1-CD1 4.48Å; V103-I144 HydrophobicContact CG1-CG1 4.38Å; V103-I144 HydrophobicContact CG2-CD1 3.8Å; V103-I144 HydrophobicContact CG2-CG1 4.37Å; V103-I144 HydrophobicContact CG2-CG2 4.07Å
104	S	98.9	Very high	98.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.3	174.1	54	0	0	0	0	111.9	H86 D92 L111 K112 W114	H86-S104 PolarHBondContact CD2-OG 3.09Å; H86-S104 VanDerWaalsContact CD2-OG 3.28Å; H86-S104 PolarHBondContact NE2-OG 2.76Å; D92-S104 VanDerWaalsContact O-CA 3.31Å; D92-S104 WeakPolarHBondContact O-CA 3.38Å; S104-L111 CarbonylContact O-C 3.58Å; S104-L111 WeakPolarHBondContact O-CA 3.2Å; S104-L111 VanDerWaalsContact O-CB 3.32Å; S104-L111 WeakPolarHBondContact O-CB 3.47Å; S104-K112 PolarHBondContact N-O 3.33Å; S104-K112 PolarHBondContact O-N 2.77Å; S104-K112 VanDerWaalsContact O-N 3.1Å; S104-W114 PolarHBondContact OG-NE1 2.92Å
105	A	98.9	Very high	98.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.7	179.2	0	0	0	0	0	110.6	I90 S91 D92 L111 V132 C135	I90-A105 CarbonylContact C-O 3.58Å; I90-A105 WeakPolarHBondContact CA-O 3.34Å; I90-A105 VanDerWaalsContact CG2-O 3.28Å; I90-A105 WeakPolarHBondContact CG2-O 3.16Å; S91-A105 PolarHBondContact N-O 2.95Å; D92-A105 HydrophobicContact CB-CB 4.38Å; D92-A105 PolarHBondContact O-N 3.44Å; A105-L111 HydrophobicContact CB-CD2 4.36Å; A105-V132 CarbonylContact C-O 3.47Å; A105-V132 HydrophobicContact CB-CB 3.98Å; A105-V132 HydrophobicContact CB-CG1 3.71Å; A105-V132 WeakPolarHBondContact CB-O 3.4Å; A105-C135 HydrophobicContact CB-CB 4.07Å
106	S	98.9	Very high	98.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.1	-170.6	179.7	0	0	0	0	114	H86 L88 G89 D108 K109 T110 V132	H86-S106 WeakPolarHBondContact CE1-CB 3.31Å; H86-S106 WeakPolarHBondContact ND1-CB 3.34Å; L88-S106 PolarHBondContact O-OG 3.31Å; G89-S106 VanDerWaalsContact O-CA 3.26Å; G89-S106 WeakPolarHBondContact O-CA 3.42Å; G89-S106 WeakPolarHBondContact O-CB 3.46Å; G89-S106 PolarHBondContact O-OG 3.04Å; S106-D108 WeakPolarHBondContact CB-OD1 3.43Å; S106-D108 PolarHBondContact O-N 2.94Å; S106-D108 VanDerWaalsContact O-N 3.16Å; S106-D108 VanDerWaalsContact OG-CG 3.31Å; S106-D108 PolarHBondContact OG-N 2.8Å; S106-D108 VanDerWaalsContact OG-N 3.15Å; S106-D108 PolarHBondContact OG-OD1 2.79Å; S106-K109 PolarHBondContact O-N 3.49Å; S106-K109 VanDerWaalsContact O-N 3.09Å; S106-T110 PolarHBondContact N-O 2.54Å; S106-V132 PolarHBondContact N-O 3.19Å; S106-V132 PolarHBondContact O-N 3.2Å; S106-V132 VanDerWaalsContact O-N 3.1Å
107	D	98.9	Very high	98.8	Very high	42 Å²	42	29.6 Å²	29.6	23%	0.225	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15	169.9	-55.7	-12.3	0	0	0	112.2	L88 G89 S91 K109 Y131	L88-D107 HydrophobicContact CB-CB 3.84Å; L88-D107 HydrophobicContact CD1-CB 4.31Å; G89-D107 PolarHBondContact O-N 3Å; S91-D107 PolarHBondContact OG-OD1 2.8Å; D107-K109 PolarHBondContact O-N 3.45Å; D107-K109 VanDerWaalsContact O-N 3.08Å; D107-Y131 HydrophobicContact CB-CD1 3.72Å; D107-Y131 HydrophobicContact CB-CE1 3.98Å; D107-Y131 HydrophobicContact CB-CG 4.06Å; D107-Y131 WeakPolarHBondContact O-CD1 3.5Å
108	D	98.9	Very high	98.8	Very high	27 Å²	27	29.5 Å²	29.5	14%	0.144	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	8.2	171.1	75.2	16.9	0	0	0	114	H86 K87 L88 S106 T110	H86-D108 WeakPolarHBondContact CA-OD2 3.31Å; H86-D108 IonicContact CE1-OD1 3.38Å; H86-D108 IonicContact CE1-OD2 3.38Å; H86-D108 IonicContact CG-OD2 2.81Å; H86-D108 IonicContact ND1-OD1 3.74Å; H86-D108 PolarHBondContact ND1-OD1 3.29Å; H86-D108 IonicContact ND1-OD2 4Å; H86-D108 PolarHBondContact ND1-OD2 3.03Å; K87-D108 HydrophobicContact CB-CB 3.99Å; K87-D108 PolarHBondContact N-OD2 3.23Å; L88-D108 HydrophobicContact CB-CB 4.14Å; L88-D108 HydrophobicContact CD1-CB 4.4Å; L88-D108 HydrophobicContact CG-CB 4.23Å; S106-D108 WeakPolarHBondContact CB-OD1 3.43Å; S106-D108 PolarHBondContact O-N 2.94Å; S106-D108 VanDerWaalsContact O-N 3.16Å; S106-D108 VanDerWaalsContact OG-CG 3.31Å; S106-D108 PolarHBondContact OG-N 2.8Å; S106-D108 VanDerWaalsContact OG-N 3.15Å; S106-D108 PolarHBondContact OG-OD1 2.79Å; D108-T110 PolarHBondContact O-N 3.03Å; D108-T110 WeakPolarHBondContact OD1-CB 3.38Å; D108-T110 PolarHBondContact OD1-N 2.82Å; D108-T110 PolarHBondContact OD1-OG1 3.06Å
109	K	98.9	Very high	98.8	Very high	94 Å²	94	26.5 Å²	26.5	41%	0.409	15%	0.154	S	C	.	.	S	Bend	trans	69.4	12.6	176.9	-43.6	-179.6	175.2	-162.8	0	113.5	S106 D107 S129 N130	S106-K109 PolarHBondContact O-N 3.49Å; S106-K109 VanDerWaalsContact O-N 3.09Å; D107-K109 PolarHBondContact O-N 3.45Å; D107-K109 VanDerWaalsContact O-N 3.08Å; K109-S129 WeakPolarHBondContact CD-O 3.46Å; K109-S129 WeakPolarHBondContact CE-O 3.39Å; K109-S129 PolarHBondContact NZ-O 2.87Å; K109-N130 WeakPolarHBondContact CA-O 3.32Å; K109-N130 WeakPolarHBondContact CB-O 3.46Å
110	T	98.9	Very high	98.7	Very high	18 Å²	18	33 Å²	33	11%	0.11	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	156.4	178.8	75.3	0	0	0	0	111.5	S106 D108 T124 L125 K126	S106-T110 PolarHBondContact N-O 2.54Å; D108-T110 PolarHBondContact O-N 3.03Å; D108-T110 WeakPolarHBondContact OD1-CB 3.38Å; D108-T110 PolarHBondContact OD1-N 2.82Å; D108-T110 PolarHBondContact OD1-OG1 3.06Å; T110-T124 HydrophobicContact CG2-CG2 3.91Å; T110-L125 WeakPolarHBondContact CA-O 3.3Å; T110-K126 HydrophobicContact CG2-CG 4.09Å
111	L	98.9	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	154.5	156.2	-53.7	92.2	0	0	0	109.7	V103 S104 A105 T124 L125 V132 C135 I144 W156	V103-L111 HydrophobicContact CG2-CB 4.08Å; V103-L111 HydrophobicContact CG2-CD2 3.88Å; S104-L111 CarbonylContact O-C 3.58Å; S104-L111 WeakPolarHBondContact O-CA 3.2Å; S104-L111 VanDerWaalsContact O-CB 3.32Å; S104-L111 WeakPolarHBondContact O-CB 3.47Å; A105-L111 HydrophobicContact CB-CD2 4.36Å; L111-T124 CarbonylContact O-C 3.54Å; L111-T124 WeakPolarHBondContact O-CA 3.39Å; L111-L125 HydrophobicContact CB-CB 4.03Å; L111-L125 HydrophobicContact CB-CD1 4.04Å; L111-L125 HydrophobicContact CB-CG 4.18Å; L111-L125 HydrophobicContact CD1-CB 4.24Å; L111-L125 PolarHBondContact N-O 3.42Å; L111-L125 VanDerWaalsContact N-O 3.12Å; L111-L125 PolarHBondContact O-N 3.25Å; L111-V132 HydrophobicContact CD1-CB 4.46Å; L111-V132 HydrophobicContact CD1-CG1 3.8Å; L111-V132 HydrophobicContact CD1-CG2 4.1Å; L111-V132 HydrophobicContact CD2-CG1 4.11Å; L111-V132 HydrophobicContact CG-CB 4.45Å; L111-V132 HydrophobicContact CG-CG1 3.84Å; L111-V132 HydrophobicContact CG-CG2 4.48Å; L111-C135 HydrophobicContact CD2-CB 3.53Å; L111-I144 HydrophobicContact CD2-CG2 4.2Å; L111-W156 HydrophobicContact CD1-CZ2 3.96Å
112	K	98.9	Very high	98.7	Very high	26 Å²	26	34.1 Å²	34.1	11%	0.113	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.4	170.4	-72.1	174.9	-178.7	-75.1	0	110.6	G85 V103 S104 W114 K123 T124	G85-K112 VanDerWaalsContact O-CE 3.31Å; G85-K112 WeakPolarHBondContact O-CE 3.4Å; V103-K112 VanDerWaalsContact CA-O 3.26Å; V103-K112 WeakPolarHBondContact CA-O 3.47Å; S104-K112 PolarHBondContact N-O 3.33Å; S104-K112 PolarHBondContact O-N 2.77Å; S104-K112 VanDerWaalsContact O-N 3.1Å; K112-W114 HydrophobicContact CB-CD2 4.31Å; K112-W114 VanDerWaalsContact CB-CE2 3.43Å; K112-W114 HydrophobicContact CB-CH2 4.26Å; K112-W114 HydrophobicContact CB-CZ2 3.41Å; K112-W114 VanDerWaalsContact CB-CZ2 3.41Å; K112-W114 HydrophobicContact CD-CH2 3.53Å; K112-W114 HydrophobicContact CD-CZ2 3.3Å; K112-W114 HydrophobicContact CG-CZ2 3.99Å; K112-W114 PolarHBondContact O-NE1 2.9Å; K112-K123 VanDerWaalsContact CA-O 3.31Å; K112-K123 WeakPolarHBondContact CA-O 3.31Å; K112-T124 HydrophobicContact CG-CG2 4.29Å; K112-T124 PolarHBondContact NZ-OG1 2.89Å
113	I	98.9	Very high	98.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.3	171.7	-52	-179.8	0	0	0	107.4	L101 L102 C121 L122 K123 L125 I144 V158	L101-I113 HydrophobicContact CD1-CG2 4.31Å; L102-I113 CarbonylContact O-C 3.56Å; L102-I113 WeakPolarHBondContact O-CA 3.29Å; I113-C121 CarbonylContact O-C 3.52Å; I113-L122 PolarHBondContact O-N 3.28Å; I113-K123 HydrophobicContact CB-CB 4.13Å; I113-K123 HydrophobicContact CD1-CB 4.03Å; I113-K123 HydrophobicContact CD1-CG 4.26Å; I113-K123 HydrophobicContact CG1-CB 4.13Å; I113-K123 PolarHBondContact N-O 2.86Å; I113-K123 PolarHBondContact O-N 3.44Å; I113-L125 HydrophobicContact CD1-CD1 4.28Å; I113-L125 HydrophobicContact CD1-CD2 4.11Å; I113-L125 HydrophobicContact CG1-CD1 4.29Å; I113-L125 HydrophobicContact CG1-CD2 4.44Å; I113-L125 HydrophobicContact CG1-CG 4.4Å; I113-I144 HydrophobicContact CD1-CD1 3.48Å; I113-I144 VanDerWaalsContact CD1-CD1 3.48Å; I113-I144 HydrophobicContact CG1-CD1 3.66Å; I113-V158 HydrophobicContact CD1-CB 4.45Å; I113-V158 HydrophobicContact CD1-CG1 4.16Å
114	W	98.9	Very high	98.7	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.011	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.2	-174.4	-48	90.7	0	0	0	110.3	I83 S84 H86 L101 L102 S104 K112 K120 C121	I83-W114 HydrophobicContact CG2-CB 4.43Å; I83-W114 HydrophobicContact CG2-CD2 3.58Å; I83-W114 HydrophobicContact CG2-CE3 3.27Å; I83-W114 HydrophobicContact CG2-CG 4.09Å; I83-W114 HydrophobicContact CG2-CH2 4.29Å; I83-W114 HydrophobicContact CG2-CZ3 3.66Å; S84-W114 WeakPolarHBondContact O-CZ3 3.41Å; H86-W114 AromaticContact CD2-CZ2 3.79Å; L101-W114 VanDerWaalsContact CA-O 3.23Å; L101-W114 WeakPolarHBondContact CA-O 3.3Å; L101-W114 WeakPolarHBondContact CD2-O 3.35Å; L102-W114 HydrophobicContact CB-CB 4.27Å; L102-W114 PolarHBondContact N-O 2.89Å; L102-W114 PolarHBondContact O-N 2.86Å; S104-W114 PolarHBondContact OG-NE1 2.92Å; K112-W114 HydrophobicContact CB-CD2 4.31Å; K112-W114 VanDerWaalsContact CB-CE2 3.43Å; K112-W114 HydrophobicContact CB-CH2 4.26Å; K112-W114 HydrophobicContact CB-CZ2 3.41Å; K112-W114 VanDerWaalsContact CB-CZ2 3.41Å; K112-W114 HydrophobicContact CD-CH2 3.53Å; K112-W114 HydrophobicContact CD-CZ2 3.3Å; K112-W114 HydrophobicContact CG-CZ2 3.99Å; K112-W114 PolarHBondContact O-NE1 2.9Å; W114-K120 WeakPolarHBondContact CA-O 3.26Å; W114-C121 HydrophobicContact CE3-CB 3.73Å; W114-C121 HydrophobicContact CH2-CB 4.19Å; W114-C121 HydrophobicContact CZ3-CB 3.51Å
115	D	98.8	Very high	98.7	Very high	36 Å²	36	40.2 Å²	40.2	19%	0.193	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	119.7	160.6	176.6	-93.6	0	0	0	108.7	S117 S118 G119 K120 L122	D115-S117 PolarHBondContact OD1-N 2.99Å; D115-S117 PolarHBondContact OD1-OG 2.94Å; D115-S118 WeakPolarHBondContact CB-OG 3.27Å; D115-S118 VanDerWaalsContact OD1-CB 3.22Å; D115-S118 WeakPolarHBondContact OD1-CB 3.49Å; D115-S118 PolarHBondContact OD1-N 2.88Å; D115-S118 PolarHBondContact OD1-OG 2.87Å; D115-G119 CarbonylContact O-C 3.56Å; D115-G119 WeakPolarHBondContact O-CA 3.18Å; D115-G119 PolarHBondContact O-N 2.93Å; D115-K120 PolarHBondContact N-O 3.16Å; D115-K120 PolarHBondContact O-N 2.96Å; D115-L122 HydrophobicContact CB-CD1 4.05Å; D115-L122 HydrophobicContact CB-CD2 3.97Å; D115-L122 HydrophobicContact CB-CG 4.04Å
116	V	98.4	Very high	98.7	Very high	12 Å²	12	47.8 Å²	47.8	7%	0.073	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-35.1	-172.2	174.2	0	0	0	0	111.6	K81 W95 N100 L102	K81-V116 PolarHBondContact NZ-O 3.37Å; W95-V116 HydrophobicContact CE3-CG2 4.23Å; W95-V116 HydrophobicContact CH2-CG1 3.88Å; W95-V116 HydrophobicContact CH2-CG2 4.17Å; W95-V116 HydrophobicContact CZ3-CB 4.19Å; W95-V116 HydrophobicContact CZ3-CG1 3.88Å; W95-V116 HydrophobicContact CZ3-CG2 3.59Å; N100-V116 WeakPolarHBondContact O-CB 3.41Å; N100-V116 WeakPolarHBondContact O-CG2 3.26Å; N100-V116 PolarHBondContact O-N 2.88Å; L102-V116 HydrophobicContact CB-CG2 4.2Å; L102-V116 HydrophobicContact CD1-CG2 3.91Å; L102-V116 HydrophobicContact CG-CG2 3.62Å
117	S	98	Very high	98.7	Very high	90 Å²	90	49.4 Å²	49.4	63%	0.629	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-48.5	-178.3	78.1	0	0	0	0	111.3	K81 D115	K81-S117 PolarHBondContact NZ-O 2.78Å; D115-S117 PolarHBondContact OD1-N 2.99Å; D115-S117 PolarHBondContact OD1-OG 2.94Å
118	S	98.2	Very high	98.7	Very high	62 Å²	62	48 Å²	48	43%	0.434	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-16.5	-177.8	67.9	0	0	0	0	114.1	D115 K120	D115-S118 WeakPolarHBondContact CB-OG 3.27Å; D115-S118 VanDerWaalsContact OD1-CB 3.22Å; D115-S118 WeakPolarHBondContact OD1-CB 3.49Å; D115-S118 PolarHBondContact OD1-N 2.88Å; D115-S118 PolarHBondContact OD1-OG 2.87Å; S118-K120 PolarHBondContact O-N 2.86Å; S118-K120 WeakPolarHBondContact OG-CB 3.3Å; S118-K120 PolarHBondContact OG-N 3.31Å
119	G	97.7	Very high	98.7	Very high	22 Å²	22	50.4 Å²	50.4	23%	0.227	28%	0.283	C	S	.	.			trans	70.4	9.9	-173.5	0	0	0	0	0	114.1	D115	D115-G119 CarbonylContact O-C 3.56Å; D115-G119 WeakPolarHBondContact O-CA 3.18Å; D115-G119 PolarHBondContact O-N 2.93Å
120	K	98.5	Very high	98.7	Very high	143 Å²	143	48.5 Å²	48.5	62%	0.622	28%	0.277	S	S	*	.			trans	-80.3	139	-175.7	-69.9	179.9	179.8	176.2	0	111.8	W114 D115 S118 L122	W114-K120 WeakPolarHBondContact CA-O 3.26Å; D115-K120 PolarHBondContact N-O 3.16Å; D115-K120 PolarHBondContact O-N 2.96Å; S118-K120 PolarHBondContact O-N 2.86Å; S118-K120 WeakPolarHBondContact OG-CB 3.3Å; S118-K120 PolarHBondContact OG-N 3.31Å; K120-L122 PolarHBondContact O-N 2.83Å
121	C	98.8	Very high	98.7	Very high	54 Å²	54	52.5 Å²	52.5	37%	0.365	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	108.5	166.3	-179.3	0	0	0	0	109.5	I113 W114 K123	I113-C121 CarbonylContact O-C 3.52Å; W114-C121 HydrophobicContact CE3-CB 3.73Å; W114-C121 HydrophobicContact CH2-CB 4.19Å; W114-C121 HydrophobicContact CZ3-CB 3.51Å; C121-K123 PolarHBondContact SG-O 2.68Å; C121-K123 VanDerWaalsContact SG-O 3.41Å
122	L	98.8	Very high	98.7	Very high	86 Å²	86	52.5 Å²	52.5	45%	0.45	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-41.7	177.9	-58.5	-176.4	0	0	0	112.1	L101 I113 D115 K120	L101-L122 HydrophobicContact CD2-CD1 3.67Å; I113-L122 PolarHBondContact O-N 3.28Å; D115-L122 HydrophobicContact CB-CD1 4.05Å; D115-L122 HydrophobicContact CB-CD2 3.97Å; D115-L122 HydrophobicContact CB-CG 4.04Å; K120-L122 PolarHBondContact O-N 2.83Å
123	K	98.8	Very high	98.7	Very high	78 Å²	78	53.3 Å²	53.3	34%	0.339	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	148.6	-177	-60	-67.3	174.3	175.3	0	110.9	K112 I113 C121 L125 K159	K112-K123 VanDerWaalsContact CA-O 3.31Å; K112-K123 WeakPolarHBondContact CA-O 3.31Å; I113-K123 HydrophobicContact CB-CB 4.13Å; I113-K123 HydrophobicContact CD1-CB 4.03Å; I113-K123 HydrophobicContact CD1-CG 4.26Å; I113-K123 HydrophobicContact CG1-CB 4.13Å; I113-K123 PolarHBondContact N-O 2.86Å; I113-K123 PolarHBondContact O-N 3.44Å; C121-K123 PolarHBondContact SG-O 2.68Å; C121-K123 VanDerWaalsContact SG-O 3.41Å; K123-L125 HydrophobicContact CB-CD2 4.15Å; K123-K159 VanDerWaalsContact CE-O 3.25Å; K123-K159 WeakPolarHBondContact CE-O 3.46Å
124	T	98.9	Very high	98.7	Very high	50 Å²	50	53.5 Å²	53.5	31%	0.307	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.2	165.2	-60.6	0	0	0	0	107.7	T110 L111 K112 K126	T110-T124 HydrophobicContact CG2-CG2 3.91Å; L111-T124 CarbonylContact O-C 3.54Å; L111-T124 WeakPolarHBondContact O-CA 3.39Å; K112-T124 HydrophobicContact CG-CG2 4.29Å; K112-T124 PolarHBondContact NZ-OG1 2.89Å; T124-K126 HydrophobicContact CG2-CG 4.1Å; T124-K126 PolarHBondContact O-N 3.11Å
125	L	98.9	Very high	98.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	109.9	-178.7	-47.3	-174.1	0	0	0	108.3	T110 L111 I113 K123 I144 W156 G161	T110-L125 WeakPolarHBondContact CA-O 3.3Å; L111-L125 HydrophobicContact CB-CB 4.03Å; L111-L125 HydrophobicContact CB-CD1 4.04Å; L111-L125 HydrophobicContact CB-CG 4.18Å; L111-L125 HydrophobicContact CD1-CB 4.24Å; L111-L125 PolarHBondContact N-O 3.42Å; L111-L125 VanDerWaalsContact N-O 3.12Å; L111-L125 PolarHBondContact O-N 3.25Å; I113-L125 HydrophobicContact CD1-CD1 4.28Å; I113-L125 HydrophobicContact CD1-CD2 4.11Å; I113-L125 HydrophobicContact CG1-CD1 4.29Å; I113-L125 HydrophobicContact CG1-CD2 4.44Å; I113-L125 HydrophobicContact CG1-CG 4.4Å; K123-L125 HydrophobicContact CB-CD2 4.15Å; L125-I144 HydrophobicContact CD1-CD1 4Å; L125-I144 HydrophobicContact CD1-CG2 4.4Å; L125-W156 HydrophobicContact CB-CD2 4.04Å; L125-W156 HydrophobicContact CB-CE3 3.74Å; L125-W156 HydrophobicContact CB-CH2 4.28Å; L125-W156 HydrophobicContact CB-CZ3 3.87Å; L125-W156 HydrophobicContact CD1-CB 3.87Å; L125-W156 HydrophobicContact CD1-CD2 3.98Å; L125-W156 HydrophobicContact CD1-CE3 4.32Å; L125-W156 HydrophobicContact CD1-CG 3.78Å; L125-W156 HydrophobicContact CG-CE3 4.41Å; L125-G161 VanDerWaalsContact CD2-O 3.32Å; L125-G161 WeakPolarHBondContact CD2-O 3.27Å
126	K	98.9	Very high	98.7	Very high	158 Å²	158	53.4 Å²	53.4	69%	0.687	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.2	-179	-61.1	-177.7	-178.2	179.4	0	109.6	T110 T124 W156	T110-K126 HydrophobicContact CG2-CG 4.09Å; T124-K126 HydrophobicContact CG2-CG 4.1Å; T124-K126 PolarHBondContact O-N 3.11Å; K126-W156 WeakPolarHBondContact O-CZ3 3.33Å
127	G	98.8	Very high	98.7	Very high	35 Å²	35	53.2 Å²	53.2	36%	0.361	29%	0.294	S	S	.	.			trans	163.2	-32.5	174	0	0	0	0	0	113.7	R154	G127-R154 PolarHBondContact O-NH2 2.56Å
128	H	98.9	Very high	98.8	Very high	11 Å²	11	49.2 Å²	49.2	5%	0.051	27%	0.266	C	S	.	.			trans	-62.1	143.8	170.4	-78.4	-62.6	0	0	0	111.1	V132 S146 S148 D150 S152 R154 W156	H128-V132 HydrophobicContact CB-CG2 3.87Å; H128-S146 PolarHBondContact NE2-OG 3.03Å; H128-S148 WeakPolarHBondContact CE1-CB 3.47Å; H128-S148 WeakPolarHBondContact ND1-CB 3.15Å; H128-S148 PolarHBondContact ND1-OG 3.45Å; H128-D150 WeakPolarHBondContact CA-OD2 3.18Å; H128-D150 VanDerWaalsContact CB-OD2 3.24Å; H128-D150 WeakPolarHBondContact CB-OD2 3.49Å; H128-D150 IonicContact CE1-OD1 3.63Å; H128-D150 IonicContact CE1-OD2 3.73Å; H128-D150 IonicContact CG-OD2 3.32Å; H128-D150 IonicContact ND1-OD1 3.85Å; H128-D150 PolarHBondContact ND1-OD1 2.79Å; H128-D150 VanDerWaalsContact ND1-OD1 3.16Å; H128-D150 IonicContact ND1-OD2 3.95Å; H128-D150 PolarHBondContact ND1-OD2 2.81Å; H128-S152 PolarHBondContact CE1-OG 3.15Å; H128-S152 PolarHBondContact ND1-OG 3.41Å; H128-R154 VanDerWaalsContact CE1-CD 3.5Å; H128-R154 WeakPolarHBondContact CE1-CD 3.34Å; H128-W156 AromaticContact CD2-CZ2 3.89Å
129	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	-99.3	-7.9	-178.7	57.5	0	0	0	0	112.8	K109 D150	K109-S129 WeakPolarHBondContact CD-O 3.46Å; K109-S129 WeakPolarHBondContact CE-O 3.39Å; K109-S129 PolarHBondContact NZ-O 2.87Å; S129-D150 PolarHBondContact N-OD2 2.76Å; S129-D150 WeakPolarHBondContact OG-CB 3.37Å
130	N	98.9	Very high	98.8	Very high	54 Å²	54	52.7 Å²	52.7	29%	0.289	27%	0.273	S	S	.	.	S	Bend	trans	-139.2	-172.6	176.4	-150.2	-14.7	0	0	0	111.5	K109 V132 F149 D150	K109-N130 WeakPolarHBondContact CA-O 3.32Å; K109-N130 WeakPolarHBondContact CB-O 3.46Å; N130-V132 PolarHBondContact O-N 2.87Å; N130-F149 HydrophobicContact CB-CB 3.89Å; N130-F149 PolarHBondContact ND2-O 3.31Å; N130-D150 HydrophobicContact CB-CB 3.97Å
131	Y	98.9	Very high	98.8	Very high	102 Å²	102	46.7 Å²	46.7	40%	0.4	25%	0.249	S	C	.	.			trans	-55	126.1	-177.6	-55.3	-21.8	0	0	0	111.5	D107 F133 S148 F149	D107-Y131 HydrophobicContact CB-CD1 3.72Å; D107-Y131 HydrophobicContact CB-CE1 3.98Å; D107-Y131 HydrophobicContact CB-CG 4.06Å; D107-Y131 WeakPolarHBondContact O-CD1 3.5Å; Y131-F133 PolarHBondContact O-N 2.78Å; Y131-S148 CarbonylContact O-C 3.56Å; Y131-S148 VanDerWaalsContact O-CA 3.24Å; Y131-S148 WeakPolarHBondContact O-CA 3.5Å; Y131-S148 WeakPolarHBondContact O-CB 3.32Å; Y131-S148 PolarHBondContact O-OG 3Å; Y131-F149 HydrophobicContact CD2-CG 4.42Å; Y131-F149 PolarHBondContact O-N 2.9Å
132	V	98.9	Very high	98.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118	170.6	-164.4	0	0	0	0	107.4	A105 S106 L111 H128 N130 G147	A105-V132 CarbonylContact C-O 3.47Å; A105-V132 HydrophobicContact CB-CB 3.98Å; A105-V132 HydrophobicContact CB-CG1 3.71Å; A105-V132 WeakPolarHBondContact CB-O 3.4Å; S106-V132 PolarHBondContact N-O 3.19Å; S106-V132 PolarHBondContact O-N 3.2Å; S106-V132 VanDerWaalsContact O-N 3.1Å; L111-V132 HydrophobicContact CD1-CB 4.46Å; L111-V132 HydrophobicContact CD1-CG1 3.8Å; L111-V132 HydrophobicContact CD1-CG2 4.1Å; L111-V132 HydrophobicContact CD2-CG1 4.11Å; L111-V132 HydrophobicContact CG-CB 4.45Å; L111-V132 HydrophobicContact CG-CG1 3.84Å; L111-V132 HydrophobicContact CG-CG2 4.48Å; H128-V132 HydrophobicContact CB-CG2 3.87Å; N130-V132 PolarHBondContact O-N 2.87Å; V132-G147 WeakPolarHBondContact CG1-O 3.31Å
133	F	98.9	Very high	98.8	Very high	43 Å²	43	44.9 Å²	44.9	19%	0.189	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-39.4	-168.2	-169.5	-107.4	0	0	0	112.8	S91 D92 Y131 G147 F149 S175 C261	S91-F133 VanDerWaalsContact CB-O 3.31Å; S91-F133 WeakPolarHBondContact CB-O 3.27Å; D92-F133 WeakPolarHBondContact CB-O 3.49Å; Y131-F133 PolarHBondContact O-N 2.78Å; F133-G147 PolarHBondContact N-O 3.43Å; F133-F149 HydrophobicContact CB-CD2 4.18Å; F133-F149 HydrophobicContact CB-CE2 4.25Å; F133-F149 HydrophobicContact CD2-CD2 4.34Å; F133-F149 AromaticContact CD2-CE2 3.66Å; F133-F149 HydrophobicContact CD2-CE2 3.66Å; F133-F149 HydrophobicContact CE2-CE2 4.24Å; F133-F149 HydrophobicContact CG-CD2 4.46Å; F133-F149 HydrophobicContact CG-CE2 4.03Å; F133-S175 VanDerWaalsContact CD1-O 3.28Å; F133-S175 WeakPolarHBondContact CD1-O 3.39Å; F133-S175 WeakPolarHBondContact CE1-O 3.25Å; F133-C261 HydrophobicContact CE1-CB 3.6Å; F133-C261 HydrophobicContact CZ-CB 3.63Å
134	C	98.9	Very high	98.9	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.2	-174.4	51.9	0	0	0	0	111.5	S146 G147 A176 V177	C134-S146 VanDerWaalsContact O-CA 3.28Å; C134-S146 WeakPolarHBondContact O-CA 3.32Å; C134-G147 PolarHBondContact N-O 3.48Å; C134-G147 PolarHBondContact O-N 2.77Å; C134-G147 VanDerWaalsContact SG-CA 3.56Å; C134-A176 WeakPolarHBondContact SG-CA 3.38Å; C134-V177 HydrophobicContact CB-CG2 4.25Å
135	C	98.9	Very high	98.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	154	179.1	63	0	0	0	0	113.2	D92 V103 A105 L111 V145	D92-C135 PolarHBondContact OD2-N 2.89Å; D92-C135 VanDerWaalsContact OD2-N 3.15Å; V103-C135 HydrophobicContact CG1-CB 4.27Å; V103-C135 HydrophobicContact CG2-CB 4.48Å; A105-C135 HydrophobicContact CB-CB 4.07Å; L111-C135 HydrophobicContact CD2-CB 3.53Å; C135-V145 CarbonylContact C-O 3.58Å; C135-V145 VanDerWaalsContact CA-O 3.26Å; C135-V145 WeakPolarHBondContact CA-O 3.44Å
136	N	98.9	Very high	98.9	Very high	36 Å²	36	38.8 Å²	38.8	19%	0.193	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	151	173.9	-141.8	-48.1	0	0	0	112.2	I144 V145 H178	N136-I144 CarbonylContact O-C 3.54Å; N136-I144 VanDerWaalsContact O-CA 3.3Å; N136-I144 WeakPolarHBondContact O-CA 3.45Å; N136-V145 HydrophobicContact CB-CG1 3.95Å; N136-V145 PolarHBondContact N-O 3.44Å; N136-V145 PolarHBondContact O-N 3.36Å; N136-H178 PolarHBondContact ND2-CD2 2.89Å; N136-H178 VanDerWaalsContact ND2-CD2 3.26Å
137	F	98.9	Very high	98.9	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.035	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	152.3	165.3	-78.4	-87.5	0	0	0	110.2	W95 L101 V103 L143 I144 V158 F179	W95-F137 VanDerWaalsContact C-CD2 3.41Å; W95-F137 WeakPolarHBondContact O-CD2 3.47Å; L101-F137 HydrophobicContact CB-CZ 4.09Å; V103-F137 HydrophobicContact CB-CD2 4.38Å; V103-F137 HydrophobicContact CB-CE2 3.66Å; V103-F137 HydrophobicContact CB-CZ 4.03Å; V103-F137 HydrophobicContact CG1-CD2 3.69Å; V103-F137 HydrophobicContact CG1-CE2 3.46Å; V103-F137 VanDerWaalsContact CG1-CE2 3.46Å; V103-F137 HydrophobicContact CG1-CZ 4.23Å; F137-L143 WeakPolarHBondContact CA-O 3.31Å; F137-I144 HydrophobicContact CD1-CD1 4.29Å; F137-I144 HydrophobicContact CD1-CG1 3.64Å; F137-I144 HydrophobicContact CE1-CD1 3.7Å; F137-I144 HydrophobicContact CE1-CG1 3.58Å; F137-I144 HydrophobicContact CE2-CG1 4.49Å; F137-I144 HydrophobicContact CG-CG1 4.14Å; F137-I144 HydrophobicContact CZ-CD1 3.87Å; F137-I144 HydrophobicContact CZ-CG1 4.04Å; F137-V158 HydrophobicContact CD1-CG2 3.95Å; F137-V158 HydrophobicContact CE1-CG1 4.18Å; F137-V158 HydrophobicContact CE1-CG2 3.6Å; F137-F179 WeakPolarHBondContact O-CD2 3.49Å
138	N	98.9	Very high	98.9	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.037	16%	0.155	C	C	.	.			trans	-75	165	161.6	75.2	-33.7	0	0	0	110.6	Q140 S141 N142 L143 F179	N138-Q140 PolarHBondContact ND2-OE1 2.96Å; N138-Q140 PolarHBondContact O-N 3.37Å; N138-S141 WeakPolarHBondContact O-CA 3.25Å; N138-S141 PolarHBondContact O-N 2.55Å; N138-S141 WeakPolarHBondContact OD1-CA 3.45Å; N138-S141 PolarHBondContact OD1-N 3.14Å; N138-N142 PolarHBondContact ND2-OD1 2.91Å; N138-N142 PolarHBondContact OD1-N 3.03Å; N138-N142 PolarHBondContact OD1-OD1 3.31Å; N138-L143 HydrophobicContact CB-CB 4.22Å; N138-L143 PolarHBondContact N-O 3.04Å; N138-L143 PolarHBondContact OD1-N 2.82Å; N138-L143 PolarHBondContact OD1-O 3.38Å; N138-F179 VanDerWaalsContact CA-CD2 3.43Å; N138-F179 HydrophobicContact CB-CB 4.48Å; N138-F179 HydrophobicContact CB-CD1 3.85Å; N138-F179 HydrophobicContact CB-CD2 3.69Å; N138-F179 HydrophobicContact CB-CE1 3.89Å; N138-F179 HydrophobicContact CB-CE2 3.7Å; N138-F179 HydrophobicContact CB-CG 3.75Å; N138-F179 HydrophobicContact CB-CZ 3.82Å
139	P	98.6	Very high	98.9	Very high	47 Å²	47	32 Å²	32	31%	0.305	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.6	-178.8	-26.5	35.4	0	0	0	114.5	S97 S141 N180 R181	S97-P139 VanDerWaalsContact CB-O 3.28Å; S97-P139 WeakPolarHBondContact CB-O 3.26Å; S97-P139 PolarHBondContact OG-O 3.08Å; P139-S141 VanDerWaalsContact C-N 3.26Å; P139-S141 PolarHBondContact O-N 2.81Å; P139-N180 WeakPolarHBondContact CG-O 3.28Å; P139-R181 WeakPolarHBondContact CG-O 3.25Å
140	Q	98.6	Very high	98.9	Very high	109 Å²	109	29.7 Å²	29.7	51%	0.509	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-6.2	176.3	-59.1	78.7	14.6	0	0	113	N138 N142 D182	N138-Q140 PolarHBondContact ND2-OE1 2.96Å; N138-Q140 PolarHBondContact O-N 3.37Å; Q140-N142 WeakPolarHBondContact CB-OD1 3.24Å; Q140-N142 PolarHBondContact O-N 3.11Å; Q140-D182 PolarHBondContact NE2-O 3.11Å
141	S	98.7	Very high	98.9	Very high	18 Å²	18	31 Å²	31	13%	0.126	15%	0.152	C	C	.	.	S	Bend	trans	54.4	21.3	-178.9	-58.2	0	0	0	0	115.4	S96 S97 N138 P139 V158	S96-S141 WeakPolarHBondContact CA-OG 3.25Å; S96-S141 WeakPolarHBondContact CB-OG 3.2Å; S97-S141 PolarHBondContact N-OG 3.12Å; S97-S141 PolarHBondContact OG-OG 3.22Å; N138-S141 WeakPolarHBondContact O-CA 3.25Å; N138-S141 PolarHBondContact O-N 2.55Å; N138-S141 WeakPolarHBondContact OD1-CA 3.45Å; N138-S141 PolarHBondContact OD1-N 3.14Å; P139-S141 VanDerWaalsContact C-N 3.26Å; P139-S141 PolarHBondContact O-N 2.81Å; S141-V158 WeakPolarHBondContact O-CG2 3.1Å
142	N	98.8	Very high	98.9	Very high	78 Å²	78	26.6 Å²	26.6	42%	0.417	14%	0.136	S	C	.	.	S	Bend	trans	-95.8	-15.9	174.8	71.8	-55.5	0	0	0	112.4	N138 Q140 V158	N138-N142 PolarHBondContact ND2-OD1 2.91Å; N138-N142 PolarHBondContact OD1-N 3.03Å; N138-N142 PolarHBondContact OD1-OD1 3.31Å; Q140-N142 WeakPolarHBondContact CB-OD1 3.24Å; Q140-N142 PolarHBondContact O-N 3.11Å; N142-V158 VanDerWaalsContact C-CG2 3.44Å; N142-V158 WeakPolarHBondContact O-CB 3.47Å; N142-V158 WeakPolarHBondContact O-CG2 3.5Å; N142-V158 PolarHBondContact O-N 3.48Å
143	L	98.9	Very high	98.9	Very high	23 Å²	23	26.6 Å²	26.6	12%	0.12	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.3	176	-59.4	177.9	0	0	0	111.4	F137 N138 I155 W156 L164 F179 T200	F137-L143 WeakPolarHBondContact CA-O 3.31Å; N138-L143 HydrophobicContact CB-CB 4.22Å; N138-L143 PolarHBondContact N-O 3.04Å; N138-L143 PolarHBondContact OD1-N 2.82Å; N138-L143 PolarHBondContact OD1-O 3.38Å; L143-I155 HydrophobicContact CB-CG2 4.47Å; L143-I155 HydrophobicContact CD1-CG2 4.25Å; L143-I155 HydrophobicContact CD2-CG2 4.27Å; L143-W156 VanDerWaalsContact CA-O 3.27Å; L143-W156 WeakPolarHBondContact CA-O 3.45Å; L143-L164 HydrophobicContact CD2-CD1 3.61Å; L143-F179 HydrophobicContact CB-CZ 4.2Å; L143-T200 HydrophobicContact CD1-CG2 3.72Å
144	I	99	Very high	98.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.4	164.2	-73	157	0	0	0	108.1	V103 L111 I113 L125 N136 F137 I155 W156 V158	V103-I144 HydrophobicContact CB-CD1 3.94Å; V103-I144 HydrophobicContact CB-CG1 4.37Å; V103-I144 HydrophobicContact CG1-CD1 4.48Å; V103-I144 HydrophobicContact CG1-CG1 4.38Å; V103-I144 HydrophobicContact CG2-CD1 3.8Å; V103-I144 HydrophobicContact CG2-CG1 4.37Å; V103-I144 HydrophobicContact CG2-CG2 4.07Å; L111-I144 HydrophobicContact CD2-CG2 4.2Å; I113-I144 HydrophobicContact CD1-CD1 3.48Å; I113-I144 VanDerWaalsContact CD1-CD1 3.48Å; I113-I144 HydrophobicContact CG1-CD1 3.66Å; L125-I144 HydrophobicContact CD1-CD1 4Å; L125-I144 HydrophobicContact CD1-CG2 4.4Å; N136-I144 CarbonylContact O-C 3.54Å; N136-I144 VanDerWaalsContact O-CA 3.3Å; N136-I144 WeakPolarHBondContact O-CA 3.45Å; F137-I144 HydrophobicContact CD1-CD1 4.29Å; F137-I144 HydrophobicContact CD1-CG1 3.64Å; F137-I144 HydrophobicContact CE1-CD1 3.7Å; F137-I144 HydrophobicContact CE1-CG1 3.58Å; F137-I144 HydrophobicContact CE2-CG1 4.49Å; F137-I144 HydrophobicContact CG-CG1 4.14Å; F137-I144 HydrophobicContact CZ-CD1 3.87Å; F137-I144 HydrophobicContact CZ-CG1 4.04Å; I144-I155 CarbonylContact O-C 3.54Å; I144-I155 WeakPolarHBondContact O-CA 3.21Å; I144-W156 HydrophobicContact CB-CB 4.25Å; I144-W156 PolarHBondContact N-O 2.71Å; I144-W156 PolarHBondContact O-N 3.23Å; I144-V158 HydrophobicContact CD1-CG2 3.77Å; I144-V158 HydrophobicContact CG1-CG2 3.77Å
145	V	99	Very high	98.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.5	165.8	65.2	0	0	0	0	109.4	C135 N136 V153 R154 V177 F179 I186	C135-V145 CarbonylContact C-O 3.58Å; C135-V145 VanDerWaalsContact CA-O 3.26Å; C135-V145 WeakPolarHBondContact CA-O 3.44Å; N136-V145 HydrophobicContact CB-CG1 3.95Å; N136-V145 PolarHBondContact N-O 3.44Å; N136-V145 PolarHBondContact O-N 3.36Å; V145-V153 HydrophobicContact CG2-CG1 3.57Å; V145-R154 CarbonylContact C-O 3.55Å; V145-R154 VanDerWaalsContact CA-O 3.31Å; V145-R154 WeakPolarHBondContact CA-O 3.3Å; V145-V177 HydrophobicContact CB-CG2 4.47Å; V145-V177 HydrophobicContact CG1-CB 4.01Å; V145-V177 HydrophobicContact CG1-CG2 3.79Å; V145-V177 HydrophobicContact CG2-CB 3.97Å; V145-V177 HydrophobicContact CG2-CG1 4.25Å; V145-V177 HydrophobicContact CG2-CG2 4.17Å; V145-F179 HydrophobicContact CB-CD2 4.29Å; V145-F179 HydrophobicContact CB-CE2 3.52Å; V145-F179 HydrophobicContact CB-CZ 3.84Å; V145-F179 HydrophobicContact CG1-CD2 3.63Å; V145-F179 HydrophobicContact CG1-CE2 3.34Å; V145-F179 HydrophobicContact CG1-CZ 4.11Å; V145-I186 HydrophobicContact CB-CD1 4.32Å; V145-I186 HydrophobicContact CG2-CD1 3.94Å; V145-I186 HydrophobicContact CG2-CG1 4.35Å; V145-I186 HydrophobicContact CG2-CG2 3.96Å
146	S	98.9	Very high	98.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147	175.4	63.7	0	0	0	0	112.3	H128 C134 V153 R154 W156	H128-S146 PolarHBondContact NE2-OG 3.03Å; C134-S146 VanDerWaalsContact O-CA 3.28Å; C134-S146 WeakPolarHBondContact O-CA 3.32Å; S146-V153 CarbonylContact O-C 3.55Å; S146-V153 VanDerWaalsContact O-CA 3.25Å; S146-V153 WeakPolarHBondContact O-CA 3.4Å; S146-R154 PolarHBondContact N-O 3.14Å; S146-R154 PolarHBondContact O-N 2.89Å; S146-W156 PolarHBondContact OG-NE1 3.26Å
147	G	98.9	Very high	98.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.7	170.6	0	0	0	0	0	110.9	V132 F133 C134	V132-G147 WeakPolarHBondContact CG1-O 3.31Å; F133-G147 PolarHBondContact N-O 3.43Å; C134-G147 PolarHBondContact N-O 3.48Å; C134-G147 PolarHBondContact O-N 2.77Å; C134-G147 VanDerWaalsContact SG-CA 3.56Å
148	S	98.9	Very high	98.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	162.6	-169.2	170.1	0	0	0	0	112.8	H128 Y131 D150 E151 S152 V174	H128-S148 WeakPolarHBondContact CE1-CB 3.47Å; H128-S148 WeakPolarHBondContact ND1-CB 3.15Å; H128-S148 PolarHBondContact ND1-OG 3.45Å; Y131-S148 CarbonylContact O-C 3.56Å; Y131-S148 VanDerWaalsContact O-CA 3.24Å; Y131-S148 WeakPolarHBondContact O-CA 3.5Å; Y131-S148 WeakPolarHBondContact O-CB 3.32Å; Y131-S148 PolarHBondContact O-OG 3Å; S148-D150 WeakPolarHBondContact CB-OD1 3.23Å; S148-D150 PolarHBondContact O-N 2.97Å; S148-D150 PolarHBondContact OG-N 3.22Å; S148-D150 VanDerWaalsContact OG-N 3.08Å; S148-D150 PolarHBondContact OG-OD1 2.96Å; S148-D150 PolarHBondContact OG-OD2 3.38Å; S148-D150 VanDerWaalsContact OG-OD2 3.04Å; S148-E151 PolarHBondContact O-N 3.18Å; S148-E151 VanDerWaalsContact O-N 3.12Å; S148-S152 PolarHBondContact N-O 3.01Å; S148-V174 PolarHBondContact O-N 2.59Å
149	F	98.9	Very high	98.9	Very high	63 Å²	63	35 Å²	35	28%	0.276	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-0.9	166.7	-90	-112.2	0	0	0	113.8	N130 Y131 F133 E151 P173	N130-F149 HydrophobicContact CB-CB 3.89Å; N130-F149 PolarHBondContact ND2-O 3.31Å; Y131-F149 HydrophobicContact CD2-CG 4.42Å; Y131-F149 PolarHBondContact O-N 2.9Å; F133-F149 HydrophobicContact CB-CD2 4.18Å; F133-F149 HydrophobicContact CB-CE2 4.25Å; F133-F149 HydrophobicContact CD2-CD2 4.34Å; F133-F149 AromaticContact CD2-CE2 3.66Å; F133-F149 HydrophobicContact CD2-CE2 3.66Å; F133-F149 HydrophobicContact CE2-CE2 4.24Å; F133-F149 HydrophobicContact CG-CD2 4.46Å; F133-F149 HydrophobicContact CG-CE2 4.03Å; F149-E151 VanDerWaalsContact C-N 3.25Å; F149-P173 HydrophobicContact CB-CB 4.4Å; F149-P173 HydrophobicContact CD1-CB 3.89Å; F149-P173 HydrophobicContact CD1-CG 3.63Å; F149-P173 HydrophobicContact CD2-CB 3.95Å; F149-P173 HydrophobicContact CE1-CB 4.08Å; F149-P173 HydrophobicContact CE1-CG 3.88Å; F149-P173 HydrophobicContact CE2-CB 4.12Å; F149-P173 HydrophobicContact CG-CB 3.82Å; F149-P173 HydrophobicContact CG-CG 4.02Å; F149-P173 HydrophobicContact CZ-CB 4.19Å; F149-P173 HydrophobicContact CZ-CG 4.46Å
150	D	98.8	Very high	98.9	Very high	29 Å²	29	36.2 Å²	36.2	16%	0.155	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	14.6	166.9	65.5	27.3	0	0	0	112.9	H128 S129 N130 S148 S152	H128-D150 WeakPolarHBondContact CA-OD2 3.18Å; H128-D150 VanDerWaalsContact CB-OD2 3.24Å; H128-D150 WeakPolarHBondContact CB-OD2 3.49Å; H128-D150 IonicContact CE1-OD1 3.63Å; H128-D150 IonicContact CE1-OD2 3.73Å; H128-D150 IonicContact CG-OD2 3.32Å; H128-D150 IonicContact ND1-OD1 3.85Å; H128-D150 PolarHBondContact ND1-OD1 2.79Å; H128-D150 VanDerWaalsContact ND1-OD1 3.16Å; H128-D150 IonicContact ND1-OD2 3.95Å; H128-D150 PolarHBondContact ND1-OD2 2.81Å; S129-D150 PolarHBondContact N-OD2 2.76Å; S129-D150 WeakPolarHBondContact OG-CB 3.37Å; N130-D150 HydrophobicContact CB-CB 3.97Å; S148-D150 WeakPolarHBondContact CB-OD1 3.23Å; S148-D150 PolarHBondContact O-N 2.97Å; S148-D150 PolarHBondContact OG-N 3.22Å; S148-D150 VanDerWaalsContact OG-N 3.08Å; S148-D150 PolarHBondContact OG-OD1 2.96Å; S148-D150 PolarHBondContact OG-OD2 3.38Å; S148-D150 VanDerWaalsContact OG-OD2 3.04Å; D150-S152 PolarHBondContact O-N 2.84Å; D150-S152 VanDerWaalsContact OD1-CB 3.3Å; D150-S152 WeakPolarHBondContact OD1-CB 3.38Å; D150-S152 PolarHBondContact OD1-N 3.06Å; D150-S152 VanDerWaalsContact OD1-N 3.11Å; D150-S152 PolarHBondContact OD1-OG 3.28Å
151	E	98.9	Very high	98.9	Very high	82 Å²	82	31.7 Å²	31.7	38%	0.383	16%	0.161	S	C	.	.	S	Bend	trans	67.5	0.7	173.4	-47.2	165.9	-156.7	0	0	113.8	S148 F149 H170 S171	S148-E151 PolarHBondContact O-N 3.18Å; S148-E151 VanDerWaalsContact O-N 3.12Å; F149-E151 VanDerWaalsContact C-N 3.25Å; E151-H170 PolarHBondContact O-N 2.88Å; E151-H170 VanDerWaalsContact O-N 3.11Å; E151-S171 WeakPolarHBondContact OE2-CA 3.32Å
152	S	98.9	Very high	98.9	Very high	10 Å²	10	37.9 Å²	37.9	7%	0.07	19%	0.185	C	C	.	.			trans	-97.1	150.9	-179	79.1	0	0	0	0	113	H128 S148 D150 L167	H128-S152 PolarHBondContact CE1-OG 3.15Å; H128-S152 PolarHBondContact ND1-OG 3.41Å; S148-S152 PolarHBondContact N-O 3.01Å; D150-S152 PolarHBondContact O-N 2.84Å; D150-S152 VanDerWaalsContact OD1-CB 3.3Å; D150-S152 WeakPolarHBondContact OD1-CB 3.38Å; D150-S152 PolarHBondContact OD1-N 3.06Å; D150-S152 VanDerWaalsContact OD1-N 3.11Å; D150-S152 PolarHBondContact OD1-OG 3.28Å; S152-L167 WeakPolarHBondContact CA-O 3.21Å
153	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	133.8	163.2	171.2	0	0	0	0	108.5	V145 S146 L167 A169 V174 V177	V145-V153 HydrophobicContact CG2-CG1 3.57Å; S146-V153 CarbonylContact O-C 3.55Å; S146-V153 VanDerWaalsContact O-CA 3.25Å; S146-V153 WeakPolarHBondContact O-CA 3.4Å; V153-L167 HydrophobicContact CB-CB 4.26Å; V153-L167 HydrophobicContact CB-CD1 4.29Å; V153-L167 HydrophobicContact CG1-CD1 4.09Å; V153-L167 PolarHBondContact N-O 3.02Å; V153-L167 VanDerWaalsContact N-O 3.14Å; V153-L167 PolarHBondContact O-N 2.74Å; V153-A169 HydrophobicContact CB-CB 3.8Å; V153-A169 HydrophobicContact CG2-CB 3.48Å; V153-A169 VanDerWaalsContact CG2-CB 3.48Å; V153-V174 HydrophobicContact CG2-CG1 3.95Å; V153-V174 HydrophobicContact CG2-CG2 4.23Å; V153-V177 HydrophobicContact CG1-CG1 4.22Å; V153-V177 HydrophobicContact CG2-CG1 3.82Å
154	R	98.9	Very high	98.8	Very high	42 Å²	42	39.7 Å²	39.7	16%	0.158	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144.6	177.2	-69.9	179.9	-179	-111.6	-0.8	111.7	G127 H128 V145 S146 W156 K165 T166	G127-R154 PolarHBondContact O-NH2 2.56Å; H128-R154 VanDerWaalsContact CE1-CD 3.5Å; H128-R154 WeakPolarHBondContact CE1-CD 3.34Å; V145-R154 CarbonylContact C-O 3.55Å; V145-R154 VanDerWaalsContact CA-O 3.31Å; V145-R154 WeakPolarHBondContact CA-O 3.3Å; S146-R154 PolarHBondContact N-O 3.14Å; S146-R154 PolarHBondContact O-N 2.89Å; R154-W156 HydrophobicContact CB-CZ2 3.64Å; R154-W156 HydrophobicContact CG-CZ2 4.14Å; R154-K165 WeakPolarHBondContact CA-O 3.46Å; R154-T166 HydrophobicContact CG-CG2 4.08Å; R154-T166 PolarHBondContact NH1-OG1 3.03Å
155	I	98.9	Very high	98.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.8	174.6	-55	174	0	0	0	107.8	L143 I144 L164 K165 I186	L143-I155 HydrophobicContact CB-CG2 4.47Å; L143-I155 HydrophobicContact CD1-CG2 4.25Å; L143-I155 HydrophobicContact CD2-CG2 4.27Å; I144-I155 CarbonylContact O-C 3.54Å; I144-I155 WeakPolarHBondContact O-CA 3.21Å; I155-L164 PolarHBondContact O-N 3.32Å; I155-K165 HydrophobicContact CB-CB 4.3Å; I155-K165 HydrophobicContact CD1-CB 4.37Å; I155-K165 HydrophobicContact CD1-CD 4.33Å; I155-K165 PolarHBondContact N-O 3.07Å; I155-K165 PolarHBondContact O-N 2.68Å; I155-I186 HydrophobicContact CD1-CD1 3.52Å; I155-I186 HydrophobicContact CG1-CD1 3.83Å
156	W	98.9	Very high	98.8	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.7	-171.9	-46.9	83.3	0	0	0	110.7	L111 L125 K126 H128 L143 I144 S146 R154 K162 C163	L111-W156 HydrophobicContact CD1-CZ2 3.96Å; L125-W156 HydrophobicContact CB-CD2 4.04Å; L125-W156 HydrophobicContact CB-CE3 3.74Å; L125-W156 HydrophobicContact CB-CH2 4.28Å; L125-W156 HydrophobicContact CB-CZ3 3.87Å; L125-W156 HydrophobicContact CD1-CB 3.87Å; L125-W156 HydrophobicContact CD1-CD2 3.98Å; L125-W156 HydrophobicContact CD1-CE3 4.32Å; L125-W156 HydrophobicContact CD1-CG 3.78Å; L125-W156 HydrophobicContact CG-CE3 4.41Å; K126-W156 WeakPolarHBondContact O-CZ3 3.33Å; H128-W156 AromaticContact CD2-CZ2 3.89Å; L143-W156 VanDerWaalsContact CA-O 3.27Å; L143-W156 WeakPolarHBondContact CA-O 3.45Å; I144-W156 HydrophobicContact CB-CB 4.25Å; I144-W156 PolarHBondContact N-O 2.71Å; I144-W156 PolarHBondContact O-N 3.23Å; S146-W156 PolarHBondContact OG-NE1 3.26Å; R154-W156 HydrophobicContact CB-CZ2 3.64Å; R154-W156 HydrophobicContact CG-CZ2 4.14Å; W156-K162 WeakPolarHBondContact CA-O 3.5Å; W156-C163 HydrophobicContact CD2-CB 4.35Å; W156-C163 VanDerWaalsContact CE3-CA 3.49Å; W156-C163 HydrophobicContact CE3-CB 3.62Å; W156-C163 HydrophobicContact CH2-CB 4.15Å; W156-C163 HydrophobicContact CZ3-CB 3.5Å
157	D	98.9	Very high	98.8	Very high	34 Å²	34	46.1 Å²	46.1	18%	0.182	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	124.2	168.4	174.8	-96.4	0	0	0	109.9	K159 T160 G161 K162 L164	D157-K159 PolarHBondContact OD1-N 3.3Å; D157-T160 WeakPolarHBondContact CB-OG1 3.35Å; D157-T160 WeakPolarHBondContact OD1-CA 3.28Å; D157-T160 WeakPolarHBondContact OD1-CB 3.29Å; D157-T160 VanDerWaalsContact OD1-CG2 3.23Å; D157-T160 WeakPolarHBondContact OD1-CG2 3.28Å; D157-T160 PolarHBondContact OD1-N 2.59Å; D157-T160 PolarHBondContact OD1-OG1 3.24Å; D157-G161 VanDerWaalsContact O-CA 3.22Å; D157-G161 WeakPolarHBondContact O-CA 3.42Å; D157-G161 PolarHBondContact O-N 2.56Å; D157-K162 PolarHBondContact N-O 2.8Å; D157-L164 HydrophobicContact CB-CD1 4.02Å; D157-L164 HydrophobicContact CB-CD2 3.97Å; D157-L164 HydrophobicContact CB-CG 3.98Å
158	V	98.8	Very high	98.8	Very high	17 Å²	17	51.7 Å²	51.7	10%	0.103	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-42.5	-174.7	169	0	0	0	0	111.7	L101 I113 F137 S141 N142 I144	L101-V158 HydrophobicContact CD1-CG1 4.19Å; I113-V158 HydrophobicContact CD1-CB 4.45Å; I113-V158 HydrophobicContact CD1-CG1 4.16Å; F137-V158 HydrophobicContact CD1-CG2 3.95Å; F137-V158 HydrophobicContact CE1-CG1 4.18Å; F137-V158 HydrophobicContact CE1-CG2 3.6Å; S141-V158 WeakPolarHBondContact O-CG2 3.1Å; N142-V158 VanDerWaalsContact C-CG2 3.44Å; N142-V158 WeakPolarHBondContact O-CB 3.47Å; N142-V158 WeakPolarHBondContact O-CG2 3.5Å; N142-V158 PolarHBondContact O-N 3.48Å; I144-V158 HydrophobicContact CD1-CG2 3.77Å; I144-V158 HydrophobicContact CG1-CG2 3.77Å
159	K	98.6	Very high	98.7	Very high	181 Å²	181	51.7 Å²	51.7	79%	0.787	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-46.1	-173.1	-174.6	175.8	-177.7	176.4	0	112	K123 D157	K123-K159 VanDerWaalsContact CE-O 3.25Å; K123-K159 WeakPolarHBondContact CE-O 3.46Å; D157-K159 PolarHBondContact OD1-N 3.3Å
160	T	98.6	Very high	98.7	Very high	71 Å²	71	49.3 Å²	49.3	44%	0.436	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-29.5	-178.1	65.4	0	0	0	0	111.9	D157 K162	D157-T160 WeakPolarHBondContact CB-OG1 3.35Å; D157-T160 WeakPolarHBondContact OD1-CA 3.28Å; D157-T160 WeakPolarHBondContact OD1-CB 3.29Å; D157-T160 VanDerWaalsContact OD1-CG2 3.23Å; D157-T160 WeakPolarHBondContact OD1-CG2 3.28Å; D157-T160 PolarHBondContact OD1-N 2.59Å; D157-T160 PolarHBondContact OD1-OG1 3.24Å; T160-K162 VanDerWaalsContact C-N 3.31Å; T160-K162 PolarHBondContact OG1-N 2.72Å
161	G	98.6	Very high	98.7	Very high	14 Å²	14	51.6 Å²	51.6	14%	0.144	28%	0.276	C	S	.	.			trans	75.6	17.3	-172.1	0	0	0	0	0	113.6	L125 D157	L125-G161 VanDerWaalsContact CD2-O 3.32Å; L125-G161 WeakPolarHBondContact CD2-O 3.27Å; D157-G161 VanDerWaalsContact O-CA 3.22Å; D157-G161 WeakPolarHBondContact O-CA 3.42Å; D157-G161 PolarHBondContact O-N 2.56Å
162	K	98.7	Very high	98.7	Very high	148 Å²	148	51.1 Å²	51.1	64%	0.643	28%	0.276	S	S	*	.			trans	-91.7	146	-179.1	-67.8	-174.8	176.4	-177.1	0	111.6	W156 D157 T160 L164	W156-K162 WeakPolarHBondContact CA-O 3.5Å; D157-K162 PolarHBondContact N-O 2.8Å; T160-K162 VanDerWaalsContact C-N 3.31Å; T160-K162 PolarHBondContact OG1-N 2.72Å; K162-L164 PolarHBondContact O-N 2.83Å
163	C	98.8	Very high	98.7	Very high	45 Å²	45	51.6 Å²	51.6	30%	0.304	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	119.4	168.5	-165.5	0	0	0	0	108.8	W156 K165	W156-C163 HydrophobicContact CD2-CB 4.35Å; W156-C163 VanDerWaalsContact CE3-CA 3.49Å; W156-C163 HydrophobicContact CE3-CB 3.62Å; W156-C163 HydrophobicContact CH2-CB 4.15Å; W156-C163 HydrophobicContact CZ3-CB 3.5Å; C163-K165 PolarHBondContact SG-O 3.34Å
164	L	98.8	Very high	98.7	Very high	94 Å²	94	51.6 Å²	51.6	49%	0.492	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-41.4	175.5	-61.6	-177.5	0	0	0	111.7	L143 I155 D157 K162	L143-L164 HydrophobicContact CD2-CD1 3.61Å; I155-L164 PolarHBondContact O-N 3.32Å; D157-L164 HydrophobicContact CB-CD1 4.02Å; D157-L164 HydrophobicContact CB-CD2 3.97Å; D157-L164 HydrophobicContact CB-CG 3.98Å; K162-L164 PolarHBondContact O-N 2.83Å
165	K	98.8	Very high	98.7	Very high	59 Å²	59	49.8 Å²	49.8	26%	0.257	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147	-178.5	-61.7	-168.5	178.7	76.4	0	111.3	R154 I155 C163 L167 T200 A201	R154-K165 WeakPolarHBondContact CA-O 3.46Å; I155-K165 HydrophobicContact CB-CB 4.3Å; I155-K165 HydrophobicContact CD1-CB 4.37Å; I155-K165 HydrophobicContact CD1-CD 4.33Å; I155-K165 PolarHBondContact N-O 3.07Å; I155-K165 PolarHBondContact O-N 2.68Å; C163-K165 PolarHBondContact SG-O 3.34Å; K165-L167 HydrophobicContact CB-CD2 4.15Å; K165-T200 PolarHBondContact NZ-O 3.47Å; K165-A201 WeakPolarHBondContact CE-O 3.47Å; K165-A201 PolarHBondContact NZ-O 2.83Å
166	T	98.8	Very high	98.7	Very high	69 Å²	69	50 Å²	50	42%	0.423	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.7	166.9	-56.2	0	0	0	0	107.1	R154	R154-T166 HydrophobicContact CG-CG2 4.08Å; R154-T166 PolarHBondContact NH1-OG1 3.03Å
167	L	98.7	Very high	98.7	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.6	-177.6	-46.3	-177.2	0	0	0	107.8	S152 V153 K165 A169 W198 G203	S152-L167 WeakPolarHBondContact CA-O 3.21Å; V153-L167 HydrophobicContact CB-CB 4.26Å; V153-L167 HydrophobicContact CB-CD1 4.29Å; V153-L167 HydrophobicContact CG1-CD1 4.09Å; V153-L167 PolarHBondContact N-O 3.02Å; V153-L167 VanDerWaalsContact N-O 3.14Å; V153-L167 PolarHBondContact O-N 2.74Å; K165-L167 HydrophobicContact CB-CD2 4.15Å; L167-A169 HydrophobicContact CB-CB 4.33Å; L167-A169 PolarHBondContact O-N 3.2Å; L167-W198 HydrophobicContact CB-CE3 4.47Å; L167-W198 HydrophobicContact CB-CZ3 4.32Å; L167-W198 HydrophobicContact CD1-CB 4.28Å; L167-W198 HydrophobicContact CD1-CD2 3.85Å; L167-W198 HydrophobicContact CD1-CE3 3.82Å; L167-W198 HydrophobicContact CD1-CG 4.04Å; L167-W198 HydrophobicContact CD1-CZ3 4.48Å; L167-G203 WeakPolarHBondContact CD2-O 3.27Å
168	P	98	Very high	98.7	Very high	116 Å²	116	50.6 Å²	50.6	75%	0.753	28%	0.277	S	S	*	.			trans	-71.7	75.9	168.6	30.9	-33.1	0	0	0	108.4
169	A	97.9	Very high	98.7	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.			trans	-81.1	-39.1	-156.7	0	0	0	0	0	112.5	V153 L167 R196 W198	V153-A169 HydrophobicContact CB-CB 3.8Å; V153-A169 HydrophobicContact CG2-CB 3.48Å; V153-A169 VanDerWaalsContact CG2-CB 3.48Å; L167-A169 HydrophobicContact CB-CB 4.33Å; L167-A169 PolarHBondContact O-N 3.2Å; A169-R196 WeakPolarHBondContact O-CD 3.45Å; A169-R196 PolarHBondContact O-NE 2.85Å; A169-R196 PolarHBondContact O-NH1 3.37Å; A169-W198 HydrophobicContact CB-CH2 4.1Å; A169-W198 HydrophobicContact CB-CZ2 3.63Å
170	H	98.8	Very high	98.7	Very high	14 Å²	14	42 Å²	42	7%	0.065	24%	0.239	C	C	.	.			trans	-144	173.9	-172	-72.2	-78.2	0	0	0	110.5	E151 D172 V174 S188 S190 D192 L194	E151-H170 PolarHBondContact O-N 2.88Å; E151-H170 VanDerWaalsContact O-N 3.11Å; H170-D172 WeakPolarHBondContact CB-O 3.48Å; H170-V174 HydrophobicContact CB-CG2 4.35Å; H170-S188 WeakPolarHBondContact NE2-CB 3.34Å; H170-S188 PolarHBondContact NE2-OG 3.07Å; H170-S190 WeakPolarHBondContact ND1-CB 3.44Å; H170-D192 WeakPolarHBondContact CA-OD2 3.36Å; H170-D192 VanDerWaalsContact CB-OD2 3.23Å; H170-D192 WeakPolarHBondContact CB-OD2 3.18Å; H170-D192 IonicContact CE1-OD1 3.53Å; H170-D192 IonicContact CG-OD2 3.95Å; H170-D192 IonicContact ND1-OD1 2.68Å; H170-D192 PolarHBondContact ND1-OD1 3.16Å; H170-D192 IonicContact ND1-OD2 3.23Å; H170-D192 PolarHBondContact ND1-OD2 2.89Å; H170-L194 PolarHBondContact CE1-O 2.8Å
171	S	98.5	Very high	98.7	Very high	77 Å²	77	47.6 Å²	47.6	54%	0.538	25%	0.252	S	S	.	.	S	Bend	trans	-110.5	9.6	174.2	58.2	0	0	0	0	113.6	E151 D192	E151-S171 WeakPolarHBondContact OE2-CA 3.32Å; S171-D192 PolarHBondContact N-OD2 3.11Å; S171-D192 WeakPolarHBondContact OG-CB 3.34Å
172	D	98.8	Very high	98.6	Very high	71 Å²	71	51.2 Å²	51.2	38%	0.38	27%	0.268	S	S	.	.	S	Bend	trans	-151	166.7	176.7	-87.9	-54	0	0	0	108.6	H170 V174 S190 D192	H170-D172 WeakPolarHBondContact CB-O 3.48Å; D172-V174 PolarHBondContact O-N 3.38Å; D172-S190 PolarHBondContact O-OG 2.87Å; D172-D192 HydrophobicContact CB-CB 4Å
173	P	98.9	Very high	98.6	Very high	20 Å²	20	44.5 Å²	44.5	13%	0.13	24%	0.241	C	C	.	.			trans	-50.5	134.5	-175.6	-29.4	34.9	0	0	0	114.1	F149 S175 S190 Y191	F149-P173 HydrophobicContact CB-CB 4.4Å; F149-P173 HydrophobicContact CD1-CB 3.89Å; F149-P173 HydrophobicContact CD1-CG 3.63Å; F149-P173 HydrophobicContact CD2-CB 3.95Å; F149-P173 HydrophobicContact CE1-CB 4.08Å; F149-P173 HydrophobicContact CE1-CG 3.88Å; F149-P173 HydrophobicContact CE2-CB 4.12Å; F149-P173 HydrophobicContact CG-CB 3.82Å; F149-P173 HydrophobicContact CG-CG 4.02Å; F149-P173 HydrophobicContact CZ-CB 4.19Å; F149-P173 HydrophobicContact CZ-CG 4.46Å; P173-S175 PolarHBondContact O-N 3.39Å; P173-S190 WeakPolarHBondContact O-CA 3.45Å; P173-S190 WeakPolarHBondContact O-CB 3.2Å; P173-S190 PolarHBondContact O-OG 3.38Å; P173-Y191 HydrophobicContact CB-CD2 3.82Å; P173-Y191 HydrophobicContact CB-CE2 4.18Å; P173-Y191 HydrophobicContact CG-CD2 4.17Å; P173-Y191 PolarHBondContact O-N 3.06Å
174	V	98.9	Very high	98.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	117.4	179.4	-173.8	0	0	0	0	109.7	S148 V153 H170 D172 V177 S189	S148-V174 PolarHBondContact O-N 2.59Å; V153-V174 HydrophobicContact CG2-CG1 3.95Å; V153-V174 HydrophobicContact CG2-CG2 4.23Å; H170-V174 HydrophobicContact CB-CG2 4.35Å; D172-V174 PolarHBondContact O-N 3.38Å; V174-V177 HydrophobicContact CG1-CG1 3.93Å; V174-S189 CarbonylContact C-O 3.59Å; V174-S189 WeakPolarHBondContact CA-O 3.5Å; V174-S189 WeakPolarHBondContact CG1-O 3.45Å
175	S	98.9	Very high	98.6	Very high	5 Å²	5	41.3 Å²	41.3	4%	0.035	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-32.1	-173.1	59.3	0	0	0	0	113.6	F133 P173 S189 V217	F133-S175 VanDerWaalsContact CD1-O 3.28Å; F133-S175 WeakPolarHBondContact CD1-O 3.39Å; F133-S175 WeakPolarHBondContact CE1-O 3.25Å; P173-S175 PolarHBondContact O-N 3.39Å; S175-S189 PolarHBondContact N-O 2.84Å; S175-S189 VanDerWaalsContact OG-C 3.28Å; S175-S189 PolarHBondContact OG-O 2.67Å; S175-S189 PolarHBondContact OG-OG 3.05Å; S175-V217 WeakPolarHBondContact CB-O 3.25Å; S175-V217 PolarHBondContact OG-O 3.37Å
176	A	98.9	Very high	98.6	Very high	5 Å²	5	38.5 Å²	38.5	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	153	175.7	0	0	0	0	0	112.4	C134 S188 S189 F219 V220	C134-A176 WeakPolarHBondContact SG-CA 3.38Å; A176-S188 VanDerWaalsContact O-CA 3.25Å; A176-S188 WeakPolarHBondContact O-CA 3.38Å; A176-S189 PolarHBondContact N-OG 2.95Å; A176-S189 PolarHBondContact O-N 3.38Å; A176-F219 HydrophobicContact CB-CD2 3.95Å; A176-F219 HydrophobicContact CB-CE2 4.38Å; A176-V220 HydrophobicContact CB-CG1 4.05Å
177	V	98.9	Very high	98.6	Very high	8 Å²	8	35.2 Å²	35.2	5%	0.048	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.8	171.9	-67.2	0	0	0	0	109.9	C134 V145 V153 V174 V187	C134-V177 HydrophobicContact CB-CG2 4.25Å; V145-V177 HydrophobicContact CB-CG2 4.47Å; V145-V177 HydrophobicContact CG1-CB 4.01Å; V145-V177 HydrophobicContact CG1-CG2 3.79Å; V145-V177 HydrophobicContact CG2-CB 3.97Å; V145-V177 HydrophobicContact CG2-CG1 4.25Å; V145-V177 HydrophobicContact CG2-CG2 4.17Å; V153-V177 HydrophobicContact CG1-CG1 4.22Å; V153-V177 HydrophobicContact CG2-CG1 3.82Å; V174-V177 HydrophobicContact CG1-CG1 3.93Å; V177-V187 CarbonylContact C-O 3.38Å; V177-V187 WeakPolarHBondContact CA-O 3.38Å
178	H	98.9	Very high	98.7	Very high	40 Å²	40	34.9 Å²	34.9	19%	0.185	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	134.7	-179.2	-164.1	-94.5	0	0	0	112.1	N136 I186 V187 K221 F222	N136-H178 PolarHBondContact ND2-CD2 2.89Å; N136-H178 VanDerWaalsContact ND2-CD2 3.26Å; H178-I186 CarbonylContact O-C 3.42Å; H178-I186 WeakPolarHBondContact O-CA 3.17Å; H178-V187 HydrophobicContact CB-CG1 3.91Å; H178-V187 PolarHBondContact N-O 3.28Å; H178-V187 PolarHBondContact O-N 2.58Å; H178-K221 HydrophobicContact CB-CB 4.21Å; H178-F222 PolarHBondContact ND1-N 3.02Å
179	F	98.9	Very high	98.7	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.026	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	150.5	170.1	-77.4	-79.7	0	0	0	111.5	F137 N138 L143 V145 L185 I186 T200	F137-F179 WeakPolarHBondContact O-CD2 3.49Å; N138-F179 VanDerWaalsContact CA-CD2 3.43Å; N138-F179 HydrophobicContact CB-CB 4.48Å; N138-F179 HydrophobicContact CB-CD1 3.85Å; N138-F179 HydrophobicContact CB-CD2 3.69Å; N138-F179 HydrophobicContact CB-CE1 3.89Å; N138-F179 HydrophobicContact CB-CE2 3.7Å; N138-F179 HydrophobicContact CB-CG 3.75Å; N138-F179 HydrophobicContact CB-CZ 3.82Å; L143-F179 HydrophobicContact CB-CZ 4.2Å; V145-F179 HydrophobicContact CB-CD2 4.29Å; V145-F179 HydrophobicContact CB-CE2 3.52Å; V145-F179 HydrophobicContact CB-CZ 3.84Å; V145-F179 HydrophobicContact CG1-CD2 3.63Å; V145-F179 HydrophobicContact CG1-CE2 3.34Å; V145-F179 HydrophobicContact CG1-CZ 4.11Å; F179-L185 CarbonylContact C-O 3.48Å; F179-L185 VanDerWaalsContact CA-O 3.32Å; F179-L185 WeakPolarHBondContact CA-O 3.11Å; F179-I186 HydrophobicContact CD1-CD1 4.34Å; F179-I186 HydrophobicContact CD1-CG1 3.55Å; F179-I186 HydrophobicContact CE1-CD1 3.61Å; F179-I186 HydrophobicContact CE1-CG1 3.34Å; F179-I186 HydrophobicContact CG-CG1 4.27Å; F179-I186 HydrophobicContact CZ-CD1 3.89Å; F179-I186 HydrophobicContact CZ-CG1 3.92Å; F179-T200 HydrophobicContact CE1-CG2 3.74Å; F179-T200 HydrophobicContact CZ-CG2 4.5Å
180	N	98.8	Very high	98.7	Very high	13 Å²	13	29.3 Å²	29.3	7%	0.07	16%	0.155	C	C	.	.			trans	-76.8	179.8	165.2	76.8	-29	0	0	0	111	P139 D182 G183 S184 L185 F222	P139-N180 WeakPolarHBondContact CG-O 3.28Å; N180-D182 VanDerWaalsContact C-N 3.31Å; N180-D182 VanDerWaalsContact CG-OD1 3.26Å; N180-D182 PolarHBondContact ND2-OD1 3.34Å; N180-D182 PolarHBondContact O-N 3.38Å; N180-D182 PolarHBondContact OD1-OD1 2.89Å; N180-G183 PolarHBondContact O-N 3.09Å; N180-G183 WeakPolarHBondContact OD1-CA 3.33Å; N180-G183 PolarHBondContact OD1-N 3.25Å; N180-S184 PolarHBondContact ND2-OG 3.19Å; N180-S184 PolarHBondContact OD1-N 3.3Å; N180-S184 VanDerWaalsContact OD1-N 3.07Å; N180-L185 HydrophobicContact CB-CB 4.06Å; N180-L185 PolarHBondContact N-O 2.74Å; N180-L185 PolarHBondContact OD1-N 2.95Å; N180-L185 PolarHBondContact OD1-O 3.19Å; N180-F222 HydrophobicContact CB-CD1 4.17Å; N180-F222 HydrophobicContact CB-CD2 3.7Å; N180-F222 HydrophobicContact CB-CE1 4.26Å; N180-F222 HydrophobicContact CB-CE2 3.76Å; N180-F222 HydrophobicContact CB-CG 3.91Å; N180-F222 HydrophobicContact CB-CZ 4.06Å
181	R	97.8	Very high	98.7	Very high	187 Å²	187	31.7 Å²	31.7	71%	0.706	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-31	-171.8	-178.4	179.5	176	-169.8	0.3	115.1	P139	P139-R181 WeakPolarHBondContact CG-O 3.25Å
182	D	98.1	Very high	98.7	Very high	91 Å²	91	28.8 Å²	28.8	49%	0.487	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-4.6	179.5	61.4	17.8	0	0	0	113.2	Q140 N180 S184	Q140-D182 PolarHBondContact NE2-O 3.11Å; N180-D182 VanDerWaalsContact C-N 3.31Å; N180-D182 VanDerWaalsContact CG-OD1 3.26Å; N180-D182 PolarHBondContact ND2-OD1 3.34Å; N180-D182 PolarHBondContact O-N 3.38Å; N180-D182 PolarHBondContact OD1-OD1 2.89Å; D182-S184 VanDerWaalsContact C-N 3.27Å; D182-S184 PolarHBondContact O-N 3.19Å; D182-S184 VanDerWaalsContact OD1-CB 3.26Å; D182-S184 WeakPolarHBondContact OD1-CB 3.49Å; D182-S184 PolarHBondContact OD1-N 2.82Å; D182-S184 PolarHBondContact OD1-OG 2.89Å; D182-S184 PolarHBondContact OD2-OG 3.48Å
183	G	98.5	Very high	98.7	Very high	7 Å²	7	25.7 Å²	25.7	7%	0.072	13%	0.126	C	C	.	.	S	Bend	trans	77.7	6.1	-179.1	0	0	0	0	0	114.5	N180 T200	N180-G183 PolarHBondContact O-N 3.09Å; N180-G183 WeakPolarHBondContact OD1-CA 3.33Å; N180-G183 PolarHBondContact OD1-N 3.25Å; G183-T200 WeakPolarHBondContact O-CB 3.46Å; G183-T200 PolarHBondContact O-OG1 2.92Å; G183-T200 VanDerWaalsContact O-OG1 3.06Å
184	S	98.6	Very high	98.7	Very high	50 Å²	50	25.9 Å²	25.9	35%	0.35	13%	0.126	S	C	.	.	S	Bend	trans	-72.9	-30.5	176.7	61.2	0	0	0	0	112.3	N180 D182 T200	N180-S184 PolarHBondContact ND2-OG 3.19Å; N180-S184 PolarHBondContact OD1-N 3.3Å; N180-S184 VanDerWaalsContact OD1-N 3.07Å; D182-S184 VanDerWaalsContact C-N 3.27Å; D182-S184 PolarHBondContact O-N 3.19Å; D182-S184 VanDerWaalsContact OD1-CB 3.26Å; D182-S184 WeakPolarHBondContact OD1-CB 3.49Å; D182-S184 PolarHBondContact OD1-N 2.82Å; D182-S184 PolarHBondContact OD1-OG 2.89Å; D182-S184 PolarHBondContact OD2-OG 3.48Å; S184-T200 VanDerWaalsContact C-OG1 3.3Å; S184-T200 VanDerWaalsContact O-CB 3.27Å; S184-T200 WeakPolarHBondContact O-CB 3.11Å; S184-T200 PolarHBondContact O-N 2.84Å; S184-T200 PolarHBondContact O-OG1 2.88Å
185	L	98.8	Very high	98.6	Very high	22 Å²	22	26.3 Å²	26.3	12%	0.115	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.2	-177.2	-56.4	180	0	0	0	112.2	F179 N180 I197 W198 L206 F222 Y243	F179-L185 CarbonylContact C-O 3.48Å; F179-L185 VanDerWaalsContact CA-O 3.32Å; F179-L185 WeakPolarHBondContact CA-O 3.11Å; N180-L185 HydrophobicContact CB-CB 4.06Å; N180-L185 PolarHBondContact N-O 2.74Å; N180-L185 PolarHBondContact OD1-N 2.95Å; N180-L185 PolarHBondContact OD1-O 3.19Å; L185-I197 HydrophobicContact CB-CG2 4.39Å; L185-I197 HydrophobicContact CD1-CG2 4.27Å; L185-I197 HydrophobicContact CD2-CG2 4.3Å; L185-W198 WeakPolarHBondContact CA-O 3.37Å; L185-L206 HydrophobicContact CD2-CD1 3.49Å; L185-L206 VanDerWaalsContact CD2-CD1 3.49Å; L185-F222 HydrophobicContact CB-CE2 4.25Å; L185-F222 HydrophobicContact CB-CZ 3.93Å; L185-F222 HydrophobicContact CD1-CZ 4.41Å; L185-Y243 HydrophobicContact CD1-CE2 4.12Å
186	I	98.9	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.4	164.7	-67.3	158.5	0	0	0	107.8	V145 I155 H178 F179 I197 W198 T200	V145-I186 HydrophobicContact CB-CD1 4.32Å; V145-I186 HydrophobicContact CG2-CD1 3.94Å; V145-I186 HydrophobicContact CG2-CG1 4.35Å; V145-I186 HydrophobicContact CG2-CG2 3.96Å; I155-I186 HydrophobicContact CD1-CD1 3.52Å; I155-I186 HydrophobicContact CG1-CD1 3.83Å; H178-I186 CarbonylContact O-C 3.42Å; H178-I186 WeakPolarHBondContact O-CA 3.17Å; F179-I186 HydrophobicContact CD1-CD1 4.34Å; F179-I186 HydrophobicContact CD1-CG1 3.55Å; F179-I186 HydrophobicContact CE1-CD1 3.61Å; F179-I186 HydrophobicContact CE1-CG1 3.34Å; F179-I186 HydrophobicContact CG-CG1 4.27Å; F179-I186 HydrophobicContact CZ-CD1 3.89Å; F179-I186 HydrophobicContact CZ-CG1 3.92Å; I186-I197 CarbonylContact O-C 3.53Å; I186-I197 WeakPolarHBondContact O-CA 3.23Å; I186-W198 HydrophobicContact CB-CB 4.24Å; I186-W198 PolarHBondContact N-O 3.26Å; I186-W198 PolarHBondContact O-N 2.72Å; I186-T200 HydrophobicContact CD1-CG2 4.41Å
187	V	98.9	Very high	98.6	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	-107.5	137.6	162.9	64	0	0	0	0	108.8	V177 H178 R196 I197 V220 F222 I229	V177-V187 CarbonylContact C-O 3.38Å; V177-V187 WeakPolarHBondContact CA-O 3.38Å; H178-V187 HydrophobicContact CB-CG1 3.91Å; H178-V187 PolarHBondContact N-O 3.28Å; H178-V187 PolarHBondContact O-N 2.58Å; V187-R196 CarbonylContact C-O 3.5Å; V187-R196 VanDerWaalsContact CA-O 3.31Å; V187-R196 WeakPolarHBondContact CA-O 3.46Å; V187-I197 HydrophobicContact CG2-CG1 4.28Å; V187-V220 HydrophobicContact CG1-CG1 4.13Å; V187-V220 HydrophobicContact CG1-CG2 4.17Å; V187-V220 HydrophobicContact CG2-CB 4.46Å; V187-V220 HydrophobicContact CG2-CG1 3.96Å; V187-V220 HydrophobicContact CG2-CG2 3.61Å; V187-F222 HydrophobicContact CB-CD2 4.16Å; V187-F222 HydrophobicContact CB-CE2 3.57Å; V187-F222 HydrophobicContact CB-CZ 3.81Å; V187-F222 HydrophobicContact CG1-CD2 3.55Å; V187-F222 HydrophobicContact CG1-CE2 3.48Å; V187-F222 VanDerWaalsContact CG1-CE2 3.48Å; V187-F222 HydrophobicContact CG1-CG 4.28Å; V187-F222 HydrophobicContact CG1-CZ 4.13Å; V187-I229 HydrophobicContact CG2-CD1 4.29Å; V187-I229 HydrophobicContact CG2-CG2 4.27Å
188	S	98.9	Very high	98.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151.4	172	64.9	0	0	0	0	111.2	H170 A176 C195 R196 W198	H170-S188 WeakPolarHBondContact NE2-CB 3.34Å; H170-S188 PolarHBondContact NE2-OG 3.07Å; A176-S188 VanDerWaalsContact O-CA 3.25Å; A176-S188 WeakPolarHBondContact O-CA 3.38Å; S188-C195 CarbonylContact O-C 3.55Å; S188-C195 VanDerWaalsContact O-CA 3.29Å; S188-C195 WeakPolarHBondContact O-CA 3.28Å; S188-R196 PolarHBondContact N-O 3.3Å; S188-R196 PolarHBondContact O-N 2.9Å; S188-W198 PolarHBondContact OG-NE1 3.4Å
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	-129.7	158.9	171.5	58.6	0	0	0	0	111.3	V174 S175 A176 L194 V220	V174-S189 CarbonylContact C-O 3.59Å; V174-S189 WeakPolarHBondContact CA-O 3.5Å; V174-S189 WeakPolarHBondContact CG1-O 3.45Å; S175-S189 PolarHBondContact N-O 2.84Å; S175-S189 VanDerWaalsContact OG-C 3.28Å; S175-S189 PolarHBondContact OG-O 2.67Å; S175-S189 PolarHBondContact OG-OG 3.05Å; A176-S189 PolarHBondContact N-OG 2.95Å; A176-S189 PolarHBondContact O-N 3.38Å; S189-L194 WeakPolarHBondContact CA-O 3.37Å; S189-V220 WeakPolarHBondContact OG-CG1 3.32Å
190	S	98.9	Very high	98.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	164.4	179.4	167.8	0	0	0	0	111.8	H170 D172 P173 D192 G193 L194 V217	H170-S190 WeakPolarHBondContact ND1-CB 3.44Å; D172-S190 PolarHBondContact O-OG 2.87Å; P173-S190 WeakPolarHBondContact O-CA 3.45Å; P173-S190 WeakPolarHBondContact O-CB 3.2Å; P173-S190 PolarHBondContact O-OG 3.38Å; S190-D192 VanDerWaalsContact CB-OD1 3.31Å; S190-D192 WeakPolarHBondContact CB-OD1 3.13Å; S190-D192 PolarHBondContact O-N 2.99Å; S190-D192 PolarHBondContact OG-N 2.93Å; S190-D192 VanDerWaalsContact OG-N 3.09Å; S190-G193 PolarHBondContact O-N 2.8Å; S190-L194 PolarHBondContact N-O 2.77Å; S190-V217 CarbonylContact C-O 3.58Å; S190-V217 PolarHBondContact O-N 3.31Å
191	Y	98.7	Very high	98.6	Very high	63 Å²	63	32.3 Å²	32.3	25%	0.247	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.8	167.9	-62.9	-58	0	0	0	113.9	P173 G193 P216 L234 C261	P173-Y191 HydrophobicContact CB-CD2 3.82Å; P173-Y191 HydrophobicContact CB-CE2 4.18Å; P173-Y191 HydrophobicContact CG-CD2 4.17Å; P173-Y191 PolarHBondContact O-N 3.06Å; Y191-G193 PolarHBondContact O-N 2.79Å; Y191-G193 VanDerWaalsContact O-N 3.1Å; Y191-P216 HydrophobicContact CD1-CB 3.74Å; Y191-P216 HydrophobicContact CG-CB 4.45Å; Y191-L234 HydrophobicContact CD1-CD1 4.23Å; Y191-L234 HydrophobicContact CE1-CD1 3.88Å; Y191-C261 VanDerWaalsContact CZ-SG 3.57Å; Y191-C261 PolarHBondContact OH-SG 2.98Å
192	D	98.3	Very high	98.6	Very high	17 Å²	17	26.2 Å²	26.2	9%	0.091	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-3.4	169.3	68.7	9.8	0	0	0	113.4	H170 S171 D172 S190 L194 N214	H170-D192 WeakPolarHBondContact CA-OD2 3.36Å; H170-D192 VanDerWaalsContact CB-OD2 3.23Å; H170-D192 WeakPolarHBondContact CB-OD2 3.18Å; H170-D192 IonicContact CE1-OD1 3.53Å; H170-D192 IonicContact CG-OD2 3.95Å; H170-D192 IonicContact ND1-OD1 2.68Å; H170-D192 PolarHBondContact ND1-OD1 3.16Å; H170-D192 IonicContact ND1-OD2 3.23Å; H170-D192 PolarHBondContact ND1-OD2 2.89Å; S171-D192 PolarHBondContact N-OD2 3.11Å; S171-D192 WeakPolarHBondContact OG-CB 3.34Å; D172-D192 HydrophobicContact CB-CB 4Å; S190-D192 VanDerWaalsContact CB-OD1 3.31Å; S190-D192 WeakPolarHBondContact CB-OD1 3.13Å; S190-D192 PolarHBondContact O-N 2.99Å; S190-D192 PolarHBondContact OG-N 2.93Å; S190-D192 VanDerWaalsContact OG-N 3.09Å; D192-L194 VanDerWaalsContact C-N 3.32Å; D192-L194 VanDerWaalsContact OD1-CB 3.24Å; D192-L194 WeakPolarHBondContact OD1-CB 3.24Å; D192-L194 WeakPolarHBondContact OD1-CG 3.43Å; D192-L194 PolarHBondContact OD1-N 3.42Å; D192-N214 PolarHBondContact O-ND2 3.29Å
193	G	98	Very high	98.6	Very high	5 Å²	5	22.3 Å²	22.3	5%	0.052	14%	0.135	C	C	.	.	S	Bend	trans	85.6	-2.2	178.6	0	0	0	0	0	114.3	S190 Y191 N214 P215 V217	S190-G193 PolarHBondContact O-N 2.8Å; Y191-G193 PolarHBondContact O-N 2.79Å; Y191-G193 VanDerWaalsContact O-N 3.1Å; G193-N214 VanDerWaalsContact CA-OD1 3.29Å; G193-N214 WeakPolarHBondContact CA-OD1 3.44Å; G193-N214 PolarHBondContact O-OD1 2.79Å; G193-P215 WeakPolarHBondContact CA-O 3.43Å; G193-V217 WeakPolarHBondContact O-CG2 3.26Å
194	L	98.2	Very high	98.6	Very high	24 Å²	24	28 Å²	28	13%	0.126	16%	0.16	C	C	.	.			trans	-95.9	144.8	-174.4	-53	179.8	0	0	0	112.5	H170 S189 S190 D192 T208 I210	H170-L194 PolarHBondContact CE1-O 2.8Å; S189-L194 WeakPolarHBondContact CA-O 3.37Å; S190-L194 PolarHBondContact N-O 2.77Å; D192-L194 VanDerWaalsContact C-N 3.32Å; D192-L194 VanDerWaalsContact OD1-CB 3.24Å; D192-L194 WeakPolarHBondContact OD1-CB 3.24Å; D192-L194 WeakPolarHBondContact OD1-CG 3.43Å; D192-L194 PolarHBondContact OD1-N 3.42Å; L194-T208 HydrophobicContact CB-CG2 4.3Å; L194-T208 HydrophobicContact CD1-CG2 4.09Å; L194-T208 HydrophobicContact CD2-CG2 4.04Å; L194-T208 HydrophobicContact CG-CG2 4.39Å; L194-I210 HydrophobicContact CD2-CB 4.13Å; L194-I210 HydrophobicContact CD2-CD1 3.93Å; L194-I210 HydrophobicContact CD2-CG1 4.07Å
195	C	98.6	Very high	98.6	Very high	9 Å²	9	28.2 Å²	28.2	6%	0.061	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.3	157	-73.8	0	0	0	0	109.2	S188 L209 I229	S188-C195 CarbonylContact O-C 3.55Å; S188-C195 VanDerWaalsContact O-CA 3.29Å; S188-C195 WeakPolarHBondContact O-CA 3.28Å; C195-L209 HydrophobicContact CB-CB 4.09Å; C195-L209 PolarHBondContact N-O 3.4Å; C195-L209 VanDerWaalsContact N-O 3.09Å; C195-L209 PolarHBondContact O-N 2.87Å; C195-I229 HydrophobicContact CB-CD1 4.27Å
196	R	98.8	Very high	98.6	Very high	57 Å²	57	31.9 Å²	31.9	22%	0.215	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.9	177.2	-71.2	179	-178.2	-171.2	1.4	111.4	A169 V187 S188 W198 K207 T208	A169-R196 WeakPolarHBondContact O-CD 3.45Å; A169-R196 PolarHBondContact O-NE 2.85Å; A169-R196 PolarHBondContact O-NH1 3.37Å; V187-R196 CarbonylContact C-O 3.5Å; V187-R196 VanDerWaalsContact CA-O 3.31Å; V187-R196 WeakPolarHBondContact CA-O 3.46Å; S188-R196 PolarHBondContact N-O 3.3Å; S188-R196 PolarHBondContact O-N 2.9Å; R196-W198 HydrophobicContact CB-CZ2 3.66Å; R196-W198 VanDerWaalsContact CD-CZ2 3.49Å; R196-W198 HydrophobicContact CG-CZ2 4.22Å; R196-K207 CarbonylContact C-O 3.36Å; R196-K207 WeakPolarHBondContact CA-O 3.49Å; R196-T208 HydrophobicContact CG-CG2 4.19Å
197	I	98.8	Very high	98.5	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.9	176.8	-59.7	-178.6	0	0	0	108.4	L185 I186 V187 C205 L206 K207 L209 Y243	L185-I197 HydrophobicContact CB-CG2 4.39Å; L185-I197 HydrophobicContact CD1-CG2 4.27Å; L185-I197 HydrophobicContact CD2-CG2 4.3Å; I186-I197 CarbonylContact O-C 3.53Å; I186-I197 WeakPolarHBondContact O-CA 3.23Å; V187-I197 HydrophobicContact CG2-CG1 4.28Å; I197-C205 CarbonylContact O-C 3.58Å; I197-L206 PolarHBondContact O-N 3.36Å; I197-K207 HydrophobicContact CB-CB 4.33Å; I197-K207 PolarHBondContact N-O 3.47Å; I197-K207 PolarHBondContact O-N 2.85Å; I197-L209 HydrophobicContact CD1-CD1 4.42Å; I197-Y243 VanDerWaalsContact CD1-CB 3.42Å; I197-Y243 HydrophobicContact CD1-CD1 4.5Å; I197-Y243 HydrophobicContact CD1-CD2 3.32Å; I197-Y243 HydrophobicContact CD1-CE2 4.21Å; I197-Y243 HydrophobicContact CD1-CG 3.5Å
198	W	98.9	Very high	98.4	Very high	12 Å²	12	38.4 Å²	38.4	5%	0.045	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140.4	-173.5	-48.4	85.4	0	0	0	110.2	L167 A169 L185 I186 S188 R196 Q204 C205	L167-W198 HydrophobicContact CB-CE3 4.47Å; L167-W198 HydrophobicContact CB-CZ3 4.32Å; L167-W198 HydrophobicContact CD1-CB 4.28Å; L167-W198 HydrophobicContact CD1-CD2 3.85Å; L167-W198 HydrophobicContact CD1-CE3 3.82Å; L167-W198 HydrophobicContact CD1-CG 4.04Å; L167-W198 HydrophobicContact CD1-CZ3 4.48Å; A169-W198 HydrophobicContact CB-CH2 4.1Å; A169-W198 HydrophobicContact CB-CZ2 3.63Å; L185-W198 WeakPolarHBondContact CA-O 3.37Å; I186-W198 HydrophobicContact CB-CB 4.24Å; I186-W198 PolarHBondContact N-O 3.26Å; I186-W198 PolarHBondContact O-N 2.72Å; S188-W198 PolarHBondContact OG-NE1 3.4Å; R196-W198 HydrophobicContact CB-CZ2 3.66Å; R196-W198 VanDerWaalsContact CD-CZ2 3.49Å; R196-W198 HydrophobicContact CG-CZ2 4.22Å; W198-Q204 WeakPolarHBondContact CA-O 3.34Å; W198-C205 HydrophobicContact CD2-CB 4.5Å; W198-C205 HydrophobicContact CE3-CB 3.81Å; W198-C205 HydrophobicContact CH2-CB 4.08Å; W198-C205 HydrophobicContact CZ3-CB 3.58Å
199	D	98.8	Very high	98.1	Very high	41 Å²	41	39 Å²	39	22%	0.219	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.2	164.6	175.3	-105.3	0	0	0	109.6	A201 S202 G203 Q204 L206	D199-A201 PolarHBondContact O-N 2.93Å; D199-A201 PolarHBondContact OD1-N 2.94Å; D199-S202 WeakPolarHBondContact CB-OG 3.39Å; D199-S202 WeakPolarHBondContact OD1-CA 3.37Å; D199-S202 WeakPolarHBondContact OD1-CB 3.36Å; D199-S202 PolarHBondContact OD1-N 2.94Å; D199-S202 PolarHBondContact OD1-OG 2.8Å; D199-G203 WeakPolarHBondContact O-CA 3.28Å; D199-G203 PolarHBondContact O-N 2.88Å; D199-Q204 PolarHBondContact N-O 2.87Å; D199-L206 HydrophobicContact CB-CD1 4.01Å; D199-L206 HydrophobicContact CB-CD2 4.09Å; D199-L206 HydrophobicContact CB-CG 4.03Å
200	T	98.7	Very high	97.8	Very high	10 Å²	10	44 Å²	44	6%	0.061	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-37.8	-175.1	-60.5	0	0	0	0	112	L143 K165 F179 G183 S184 I186	L143-T200 HydrophobicContact CD1-CG2 3.72Å; K165-T200 PolarHBondContact NZ-O 3.47Å; F179-T200 HydrophobicContact CE1-CG2 3.74Å; F179-T200 HydrophobicContact CZ-CG2 4.5Å; G183-T200 WeakPolarHBondContact O-CB 3.46Å; G183-T200 PolarHBondContact O-OG1 2.92Å; G183-T200 VanDerWaalsContact O-OG1 3.06Å; S184-T200 VanDerWaalsContact C-OG1 3.3Å; S184-T200 VanDerWaalsContact O-CB 3.27Å; S184-T200 WeakPolarHBondContact O-CB 3.11Å; S184-T200 PolarHBondContact O-N 2.84Å; S184-T200 PolarHBondContact O-OG1 2.88Å; I186-T200 HydrophobicContact CD1-CG2 4.41Å
201	A	98.3	Very high	96.9	Very high	80 Å²	80	45.9 Å²	45.9	66%	0.661	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-43.2	-173.8	0	0	0	0	0	112	K165 D199	K165-A201 WeakPolarHBondContact CE-O 3.47Å; K165-A201 PolarHBondContact NZ-O 2.83Å; D199-A201 PolarHBondContact O-N 2.93Å; D199-A201 PolarHBondContact OD1-N 2.94Å
202	S	98.3	Very high	95.9	Very high	60 Å²	60	50.5 Å²	50.5	42%	0.42	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-26.3	-177.5	67.2	0	0	0	0	113.6	D199 Q204	D199-S202 WeakPolarHBondContact CB-OG 3.39Å; D199-S202 WeakPolarHBondContact OD1-CA 3.37Å; D199-S202 WeakPolarHBondContact OD1-CB 3.36Å; D199-S202 PolarHBondContact OD1-N 2.94Å; D199-S202 PolarHBondContact OD1-OG 2.8Å; S202-Q204 VanDerWaalsContact C-N 3.26Å; S202-Q204 WeakPolarHBondContact OG-CG 3.44Å; S202-Q204 PolarHBondContact OG-N 3.45Å
203	G	98.1	Very high	95.1	Very high	9 Å²	9	56.5 Å²	56.5	9%	0.093	31%	0.314	C	S	.	.			trans	77.2	8.1	-171.8	0	0	0	0	0	114	L167 D199	L167-G203 WeakPolarHBondContact CD2-O 3.27Å; D199-G203 WeakPolarHBondContact O-CA 3.28Å; D199-G203 PolarHBondContact O-N 2.88Å
204	Q	98.3	Very high	94.7	Very high	127 Å²	127	59 Å²	59	59%	0.593	33%	0.326	S	S	*	.			trans	-76.3	143	179.8	-63.9	-60.6	-47.2	0	0	111.3	W198 D199 S202 L206	W198-Q204 WeakPolarHBondContact CA-O 3.34Å; D199-Q204 PolarHBondContact N-O 2.87Å; S202-Q204 VanDerWaalsContact C-N 3.26Å; S202-Q204 WeakPolarHBondContact OG-CG 3.44Å; S202-Q204 PolarHBondContact OG-N 3.45Å; Q204-L206 PolarHBondContact O-N 2.98Å
205	C	98.4	Very high	94.6	Very high	53 Å²	53	58.8 Å²	58.8	36%	0.358	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	117.5	170.8	-171.6	0	0	0	0	109	I197 W198	I197-C205 CarbonylContact O-C 3.58Å; W198-C205 HydrophobicContact CD2-CB 4.5Å; W198-C205 HydrophobicContact CE3-CB 3.81Å; W198-C205 HydrophobicContact CH2-CB 4.08Å; W198-C205 HydrophobicContact CZ3-CB 3.58Å
206	L	98	Very high	94.6	Very high	99 Å²	99	60.6 Å²	60.6	52%	0.518	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-31.8	177.5	-61.6	-178.5	0	0	0	112.2	L185 I197 D199 Q204	L185-L206 HydrophobicContact CD2-CD1 3.49Å; L185-L206 VanDerWaalsContact CD2-CD1 3.49Å; I197-L206 PolarHBondContact O-N 3.36Å; D199-L206 HydrophobicContact CB-CD1 4.01Å; D199-L206 HydrophobicContact CB-CD2 4.09Å; D199-L206 HydrophobicContact CB-CG 4.03Å; Q204-L206 PolarHBondContact O-N 2.98Å
207	K	96.8	Very high	94.6	Very high	71 Å²	71	58.2 Å²	58.2	31%	0.309	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	142.3	-177.6	-165.4	164.7	-75.4	-170.7	0	111.9	R196 I197 L209 Y243 S244	R196-K207 CarbonylContact C-O 3.36Å; R196-K207 WeakPolarHBondContact CA-O 3.49Å; I197-K207 HydrophobicContact CB-CB 4.33Å; I197-K207 PolarHBondContact N-O 3.47Å; I197-K207 PolarHBondContact O-N 2.85Å; K207-L209 HydrophobicContact CD-CD2 3.8Å; K207-L209 HydrophobicContact CG-CD2 4.07Å; K207-L209 HydrophobicContact CG-CG 4.47Å; K207-Y243 WeakPolarHBondContact CD-O 3.37Å; K207-Y243 PolarHBondContact NZ-O 2.93Å; K207-S244 PolarHBondContact NZ-O 3.35Å
208	T	97.5	Very high	94.6	Very high	67 Å²	67	58 Å²	58	41%	0.411	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.9	165.1	-57.1	0	0	0	0	107.7	L194 R196	L194-T208 HydrophobicContact CB-CG2 4.3Å; L194-T208 HydrophobicContact CD1-CG2 4.09Å; L194-T208 HydrophobicContact CD2-CG2 4.04Å; L194-T208 HydrophobicContact CG-CG2 4.39Å; R196-T208 HydrophobicContact CG-CG2 4.19Å
209	L	93.8	Very high	94.6	Very high	11 Å²	11	58 Å²	58	6%	0.058	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.6	172.7	-59.2	173.5	0	0	0	107.4	C195 I197 K207 I229	C195-L209 HydrophobicContact CB-CB 4.09Å; C195-L209 PolarHBondContact N-O 3.4Å; C195-L209 VanDerWaalsContact N-O 3.09Å; C195-L209 PolarHBondContact O-N 2.87Å; I197-L209 HydrophobicContact CD1-CD1 4.42Å; K207-L209 HydrophobicContact CD-CD2 3.8Å; K207-L209 HydrophobicContact CG-CD2 4.07Å; K207-L209 HydrophobicContact CG-CG 4.47Å; L209-I229 HydrophobicContact CD1-CD1 3.32Å; L209-I229 HydrophobicContact CD1-CG1 4.25Å
210	I	90.7	Very high	94.6	Very high	105 Å²	105	56.1 Å²	56.1	54%	0.538	32%	0.319	S	S	.	.			trans	-128.4	145.5	178.5	-173	165.2	0	0	0	107.6	L194 N214	L194-I210 HydrophobicContact CD2-CB 4.13Å; L194-I210 HydrophobicContact CD2-CD1 3.93Å; L194-I210 HydrophobicContact CD2-CG1 4.07Å; I210-N214 HydrophobicContact CG1-CB 4.4Å
211	D	80.2	Confident	94.6	Very high	40 Å²	40	57.5 Å²	57.5	21%	0.214	32%	0.324	C	S	.	.			trans	-110.4	158	171	-150.2	-23	0	0	0	109.1	D213 N214 K239 W241	D211-D213 VanDerWaalsContact C-N 3.26Å; D211-D213 PolarHBondContact O-N 3.17Å; D211-D213 VanDerWaalsContact O-N 3.17Å; D211-N214 PolarHBondContact O-N 2.87Å; D211-K239 VanDerWaalsContact OD2-CD 3.28Å; D211-K239 WeakPolarHBondContact OD2-CD 3.42Å; D211-K239 WeakPolarHBondContact OD2-CE 3.32Å; D211-K239 IonicContact OD2-NZ 2.69Å; D211-K239 PolarHBondContact OD2-NZ 2.83Å; D211-W241 HydrophobicContact CB-CH2 4.31Å; D211-W241 HydrophobicContact CB-CZ2 4.12Å; D211-W241 WeakPolarHBondContact OD2-CZ2 3.4Å
212	D	77.9	Confident	94.6	Very high	160 Å²	160	53.9 Å²	53.9	86%	0.856	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-36.8	-166.9	-66.2	-31.8	0	0	0	113
213	D	82.6	Confident	94.7	Very high	144 Å²	144	51.3 Å²	51.3	77%	0.77	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-10.3	-178.5	-62.9	-39.4	0	0	0	114	D211	D211-D213 VanDerWaalsContact C-N 3.26Å; D211-D213 PolarHBondContact O-N 3.17Å; D211-D213 VanDerWaalsContact O-N 3.17Å
214	N	88.9	Confident	94.6	Very high	56 Å²	56	54.3 Å²	54.3	30%	0.299	29%	0.293	S	S	.	.			trans	39.8	49.2	-179.2	-160.1	50.8	0	0	0	116.5	D192 G193 I210 D211	D192-N214 PolarHBondContact O-ND2 3.29Å; G193-N214 VanDerWaalsContact CA-OD1 3.29Å; G193-N214 WeakPolarHBondContact CA-OD1 3.44Å; G193-N214 PolarHBondContact O-OD1 2.79Å; I210-N214 HydrophobicContact CG1-CB 4.4Å; D211-N214 PolarHBondContact O-N 2.87Å
215	P	96.3	Very high	94.5	Very high	20 Å²	20	52.2 Å²	52.2	13%	0.13	29%	0.286	C	S	.	.			trans	-65.6	154.4	175.1	29.8	-36	0	0	0	110.9	G193 V217 T233 D235	G193-P215 WeakPolarHBondContact CA-O 3.43Å; P215-V217 PolarHBondContact O-N 2.83Å; P215-T233 HydrophobicContact CG-CG2 3.86Å; P215-D235 HydrophobicContact CB-CB 4.23Å; P215-D235 HydrophobicContact CG-CB 4.45Å
216	P	98.4	Very high	94.4	Very high	48 Å²	48	50.1 Å²	50.1	31%	0.312	27%	0.273	S	S	.	.			trans	-54.7	126.5	179.7	-23.4	31.8	0	0	0	111.7	Y191 T233 L234	Y191-P216 HydrophobicContact CD1-CB 3.74Å; Y191-P216 HydrophobicContact CG-CB 4.45Å; P216-T233 WeakPolarHBondContact O-CA 3.44Å; P216-L234 HydrophobicContact CB-CB 4.37Å; P216-L234 HydrophobicContact CB-CD1 4.09Å; P216-L234 HydrophobicContact CB-CG 4.24Å; P216-L234 PolarHBondContact O-N 2.86Å
217	V	98.8	Very high	94.3	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.036	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.6	179.3	-175.2	0	0	0	0	108.2	S175 S190 G193 P215 A231 A232 T233	S175-V217 WeakPolarHBondContact CB-O 3.25Å; S175-V217 PolarHBondContact OG-O 3.37Å; S190-V217 CarbonylContact C-O 3.58Å; S190-V217 PolarHBondContact O-N 3.31Å; G193-V217 WeakPolarHBondContact O-CG2 3.26Å; P215-V217 PolarHBondContact O-N 2.83Å; V217-A231 HydrophobicContact CG1-CB 4.29Å; V217-A232 CarbonylContact C-O 3.57Å; V217-A232 WeakPolarHBondContact CA-O 3.43Å; V217-A232 VanDerWaalsContact CG1-O 3.3Å; V217-A232 WeakPolarHBondContact CG1-O 3.38Å; V217-T233 HydrophobicContact CB-CG2 4.44Å; V217-T233 HydrophobicContact CG2-CG2 3.88Å
218	S	98.8	Very high	94.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-15.4	-171.5	68.5	0	0	0	0	113.3	A232 L234 N257 C261	S218-A232 PolarHBondContact N-O 3.38Å; S218-A232 PolarHBondContact OG-O 2.75Å; S218-L234 VanDerWaalsContact CB-CD2 3.45Å; S218-N257 PolarHBondContact OG-ND2 3.2Å; S218-C261 WeakPolarHBondContact O-CA 3.25Å; S218-C261 WeakPolarHBondContact O-CB 3.23Å; S218-C261 PolarHBondContact O-SG 3.3Å; S218-C261 VanDerWaalsContact O-SG 3.38Å
219	F	98.9	Very high	94.5	Very high	12 Å²	12	48.7 Å²	48.7	5%	0.053	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	149.6	174.4	-178	-103.2	0	0	0	111.8	A176 K221 A231 A232 I262 F263 A264	A176-F219 HydrophobicContact CB-CD2 3.95Å; A176-F219 HydrophobicContact CB-CE2 4.38Å; F219-K221 HydrophobicContact CE1-CB 4.07Å; F219-K221 HydrophobicContact CE1-CD 3.78Å; F219-K221 HydrophobicContact CE1-CG 3.86Å; F219-K221 HydrophobicContact CZ-CB 4.03Å; F219-K221 HydrophobicContact CZ-CD 3.86Å; F219-K221 HydrophobicContact CZ-CG 4.17Å; F219-A231 CarbonylContact O-C 3.56Å; F219-A231 VanDerWaalsContact O-CA 3.27Å; F219-A231 WeakPolarHBondContact O-CA 3.49Å; F219-A232 HydrophobicContact CB-CB 3.86Å; F219-A232 PolarHBondContact N-O 3.34Å; F219-A232 PolarHBondContact O-N 3.47Å; F219-I262 WeakPolarHBondContact CB-O 3.35Å; F219-F263 AromaticContact CD2-CD1 3.99Å; F219-F263 HydrophobicContact CD2-CD1 3.99Å; F219-F263 HydrophobicContact CD2-CE1 4.44Å; F219-F263 HydrophobicContact CD2-CG 4.38Å; F219-F263 HydrophobicContact CE2-CB 4.36Å; F219-F263 AromaticContact CE2-CD1 3.34Å; F219-F263 HydrophobicContact CE2-CD1 3.34Å; F219-F263 AromaticContact CE2-CE1 3.85Å; F219-F263 HydrophobicContact CE2-CE1 3.85Å; F219-F263 HydrophobicContact CE2-CG 4.08Å; F219-F263 HydrophobicContact CZ-CD1 4.02Å; F219-A264 HydrophobicContact CD1-CB 4.05Å; F219-A264 HydrophobicContact CE1-CB 4.2Å; F219-A264 WeakPolarHBondContact CE1-O 3.44Å
220	V	98.9	Very high	94.7	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	142.5	169.7	72.1	0	0	0	0	112.1	A176 V187 S189 I229 L230 A231	A176-V220 HydrophobicContact CB-CG1 4.05Å; V187-V220 HydrophobicContact CG1-CG1 4.13Å; V187-V220 HydrophobicContact CG1-CG2 4.17Å; V187-V220 HydrophobicContact CG2-CB 4.46Å; V187-V220 HydrophobicContact CG2-CG1 3.96Å; V187-V220 HydrophobicContact CG2-CG2 3.61Å; S189-V220 WeakPolarHBondContact OG-CG1 3.32Å; V220-I229 HydrophobicContact CG2-CB 4.22Å; V220-I229 HydrophobicContact CG2-CD1 4.04Å; V220-L230 CarbonylContact C-O 3.54Å; V220-L230 VanDerWaalsContact CA-O 3.28Å; V220-L230 WeakPolarHBondContact CA-O 3.34Å; V220-A231 HydrophobicContact CG2-CB 4.34Å
221	K	98.9	Very high	95.1	Very high	38 Å²	38	43.3 Å²	43.3	17%	0.165	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.7	166.6	73.4	-174.1	-59.2	165.7	0	112.8	H178 F219 I229 L230 A264 N265 F266	H178-K221 HydrophobicContact CB-CB 4.21Å; F219-K221 HydrophobicContact CE1-CB 4.07Å; F219-K221 HydrophobicContact CE1-CD 3.78Å; F219-K221 HydrophobicContact CE1-CG 3.86Å; F219-K221 HydrophobicContact CZ-CB 4.03Å; F219-K221 HydrophobicContact CZ-CD 3.86Å; F219-K221 HydrophobicContact CZ-CG 4.17Å; K221-I229 CarbonylContact O-C 3.51Å; K221-I229 VanDerWaalsContact O-CA 3.27Å; K221-I229 WeakPolarHBondContact O-CA 3.19Å; K221-L230 PolarHBondContact N-O 3.17Å; K221-L230 PolarHBondContact O-N 3.14Å; K221-A264 VanDerWaalsContact CD-O 3.22Å; K221-A264 WeakPolarHBondContact CD-O 3.29Å; K221-N265 PolarHBondContact NZ-OD1 3.5Å; K221-F266 HydrophobicContact CD-CD2 4.42Å; K221-F266 HydrophobicContact CG-CE2 4.2Å
222	F	98.9	Very high	96	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.022	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	148.3	167.6	-74.3	-76.9	0	0	0	111.6	H178 N180 L185 V187 Y228 I229 Y243	H178-F222 PolarHBondContact ND1-N 3.02Å; N180-F222 HydrophobicContact CB-CD1 4.17Å; N180-F222 HydrophobicContact CB-CD2 3.7Å; N180-F222 HydrophobicContact CB-CE1 4.26Å; N180-F222 HydrophobicContact CB-CE2 3.76Å; N180-F222 HydrophobicContact CB-CG 3.91Å; N180-F222 HydrophobicContact CB-CZ 4.06Å; L185-F222 HydrophobicContact CB-CE2 4.25Å; L185-F222 HydrophobicContact CB-CZ 3.93Å; L185-F222 HydrophobicContact CD1-CZ 4.41Å; V187-F222 HydrophobicContact CB-CD2 4.16Å; V187-F222 HydrophobicContact CB-CE2 3.57Å; V187-F222 HydrophobicContact CB-CZ 3.81Å; V187-F222 HydrophobicContact CG1-CD2 3.55Å; V187-F222 HydrophobicContact CG1-CE2 3.48Å; V187-F222 VanDerWaalsContact CG1-CE2 3.48Å; V187-F222 HydrophobicContact CG1-CG 4.28Å; V187-F222 HydrophobicContact CG1-CZ 4.13Å; F222-Y228 CarbonylContact C-O 3.6Å; F222-Y228 WeakPolarHBondContact CA-O 3.32Å; F222-I229 HydrophobicContact CD1-CG2 3.55Å; F222-I229 HydrophobicContact CE1-CG2 3.65Å; F222-I229 HydrophobicContact CG-CG2 4.21Å; F222-I229 HydrophobicContact CZ-CG2 4.41Å; F222-Y243 HydrophobicContact CD1-CD1 4.46Å; F222-Y243 HydrophobicContact CD1-CE1 4.1Å; F222-Y243 HydrophobicContact CE1-CD1 4.06Å; F222-Y243 AromaticContact CE1-CE1 3.75Å; F222-Y243 HydrophobicContact CE1-CE1 3.75Å
223	S	98.7	Very high	97	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.042	18%	0.181	C	C	.	.			trans	-66.2	155.6	164.8	60.8	0	0	0	0	111.2	N225 G226 K227 Y228 F266	S223-N225 PolarHBondContact O-N 3.27Å; S223-N225 VanDerWaalsContact O-N 3.1Å; S223-N225 PolarHBondContact OG-OD1 3.06Å; S223-G226 WeakPolarHBondContact O-CA 3.41Å; S223-G226 PolarHBondContact O-N 3.48Å; S223-K227 PolarHBondContact OG-N 3.41Å; S223-Y228 PolarHBondContact N-O 3.22Å; S223-Y228 PolarHBondContact OG-N 3.14Å; S223-Y228 PolarHBondContact OG-O 3.35Å; S223-F266 VanDerWaalsContact CA-CE2 3.44Å
224	P	97.8	Very high	97.7	Very high	72 Å²	72	29 Å²	29	47%	0.468	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.5	-177.1	-29.4	37.5	0	0	0	114.8	G226 F266 V268	P224-G226 VanDerWaalsContact C-N 3.29Å; P224-F266 HydrophobicContact CG-CB 4.11Å; P224-V268 HydrophobicContact CG-CG1 4.06Å
225	N	96.3	Very high	98.1	Very high	82 Å²	82	28.9 Å²	28.9	44%	0.439	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-2.3	175	67.8	4.5	0	0	0	113.9	S223 K227	S223-N225 PolarHBondContact O-N 3.27Å; S223-N225 VanDerWaalsContact O-N 3.1Å; S223-N225 PolarHBondContact OG-OD1 3.06Å; N225-K227 VanDerWaalsContact C-N 3.26Å; N225-K227 PolarHBondContact O-N 2.8Å; N225-K227 PolarHBondContact OD1-N 2.75Å
226	G	95.4	Very high	98.3	Very high	9 Å²	9	29.7 Å²	29.7	9%	0.093	16%	0.155	C	C	.	.	S	Bend	trans	70.9	7.8	-179.8	0	0	0	0	0	115.7	S223 P224 Y243	S223-G226 WeakPolarHBondContact O-CA 3.41Å; S223-G226 PolarHBondContact O-N 3.48Å; P224-G226 VanDerWaalsContact C-N 3.29Å; G226-Y243 VanDerWaalsContact O-CE1 3.25Å; G226-Y243 WeakPolarHBondContact O-CE1 3.36Å; G226-Y243 PolarHBondContact O-OH 2.97Å
227	K	96.4	Very high	98.3	Very high	132 Å²	132	28.1 Å²	28.1	57%	0.574	14%	0.144	S	C	*	.	S	Bend	trans	-91.1	-22.5	-175.6	-65.9	-169	176.8	-174.1	0	114.6	S223 N225 Y243	S223-K227 PolarHBondContact OG-N 3.41Å; N225-K227 VanDerWaalsContact C-N 3.26Å; N225-K227 PolarHBondContact O-N 2.8Å; N225-K227 PolarHBondContact OD1-N 2.75Å; K227-Y243 WeakPolarHBondContact O-CD1 3.05Å; K227-Y243 WeakPolarHBondContact O-CE1 3.11Å
228	Y	98.4	Very high	98.3	Very high	75 Å²	75	27.8 Å²	27.8	29%	0.294	14%	0.143	S	C	.	.			trans	-127.9	161.8	-174.5	-48.1	-64	0	0	0	110.2	F222 S223 L240 W241 D242 L249	F222-Y228 CarbonylContact C-O 3.6Å; F222-Y228 WeakPolarHBondContact CA-O 3.32Å; S223-Y228 PolarHBondContact N-O 3.22Å; S223-Y228 PolarHBondContact OG-N 3.14Å; S223-Y228 PolarHBondContact OG-O 3.35Å; Y228-L240 HydrophobicContact CG-CD1 4.36Å; Y228-L240 HydrophobicContact CG-CG 4.49Å; Y228-W241 CarbonylContact C-O 3.52Å; Y228-W241 WeakPolarHBondContact CA-O 3.47Å; Y228-W241 WeakPolarHBondContact CB-O 3.35Å; Y228-D242 HydrophobicContact CD1-CB 4.43Å; Y228-L249 HydrophobicContact CD1-CD1 3.8Å; Y228-L249 HydrophobicContact CE1-CD1 3.62Å
229	I	98.7	Very high	98.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.8	162.1	65.7	169.1	0	0	0	109.3	V187 C195 L209 V220 K221 F222 L240 W241 Y243	V187-I229 HydrophobicContact CG2-CD1 4.29Å; V187-I229 HydrophobicContact CG2-CG2 4.27Å; C195-I229 HydrophobicContact CB-CD1 4.27Å; L209-I229 HydrophobicContact CD1-CD1 3.32Å; L209-I229 HydrophobicContact CD1-CG1 4.25Å; V220-I229 HydrophobicContact CG2-CB 4.22Å; V220-I229 HydrophobicContact CG2-CD1 4.04Å; K221-I229 CarbonylContact O-C 3.51Å; K221-I229 VanDerWaalsContact O-CA 3.27Å; K221-I229 WeakPolarHBondContact O-CA 3.19Å; F222-I229 HydrophobicContact CD1-CG2 3.55Å; F222-I229 HydrophobicContact CE1-CG2 3.65Å; F222-I229 HydrophobicContact CG-CG2 4.21Å; F222-I229 HydrophobicContact CZ-CG2 4.41Å; I229-L240 WeakPolarHBondContact O-CA 3.5Å; I229-W241 HydrophobicContact CD1-CB 4.36Å; I229-W241 HydrophobicContact CG1-CB 3.7Å; I229-W241 HydrophobicContact CG1-CG 4.38Å; I229-W241 PolarHBondContact N-O 3.05Å; I229-W241 PolarHBondContact O-N 2.59Å; I229-Y243 HydrophobicContact CG2-CD1 4.11Å
230	L	98.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123	167.7	179.2	68.3	0	0	0	107.5	V220 K221 L238 K239 Y252 A264 F266 I274	V220-L230 CarbonylContact C-O 3.54Å; V220-L230 VanDerWaalsContact CA-O 3.28Å; V220-L230 WeakPolarHBondContact CA-O 3.34Å; K221-L230 PolarHBondContact N-O 3.17Å; K221-L230 PolarHBondContact O-N 3.14Å; L230-L238 HydrophobicContact CD1-CB 4.39Å; L230-L238 HydrophobicContact CD1-CD2 4.35Å; L230-L238 HydrophobicContact CG-CD2 4.37Å; L230-K239 WeakPolarHBondContact CA-O 3.35Å; L230-Y252 HydrophobicContact CD1-CE2 4.41Å; L230-A264 HydrophobicContact CD2-CB 3.71Å; L230-A264 HydrophobicContact CG-CB 4.46Å; L230-F266 HydrophobicContact CB-CE2 3.65Å; L230-F266 HydrophobicContact CB-CZ 3.58Å; L230-F266 HydrophobicContact CD2-CE2 4.21Å; L230-F266 HydrophobicContact CD2-CZ 4.38Å; L230-I274 HydrophobicContact CD1-CD1 4.21Å; L230-I274 HydrophobicContact CD1-CG2 4.49Å; L230-I274 HydrophobicContact CD2-CD1 3.98Å; L230-I274 HydrophobicContact CD2-CG2 4.16Å
231	A	98.8	Very high	98.2	Very high	4 Å²	4	30 Å²	30	3%	0.033	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.4	178.1	0	0	0	0	0	110.3	V217 F219 V220 L238 K239	V217-A231 HydrophobicContact CG1-CB 4.29Å; F219-A231 CarbonylContact O-C 3.56Å; F219-A231 VanDerWaalsContact O-CA 3.27Å; F219-A231 WeakPolarHBondContact O-CA 3.49Å; V220-A231 HydrophobicContact CG2-CB 4.34Å; A231-L238 CarbonylContact O-C 3.54Å; A231-L238 WeakPolarHBondContact O-CA 3.31Å; A231-K239 PolarHBondContact N-O 3.34Å; A231-K239 PolarHBondContact O-N 3.23Å
232	A	98.8	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.9	171.1	0	0	0	0	0	109.5	V217 S218 F219 L238	V217-A232 CarbonylContact C-O 3.57Å; V217-A232 WeakPolarHBondContact CA-O 3.43Å; V217-A232 VanDerWaalsContact CG1-O 3.3Å; V217-A232 WeakPolarHBondContact CG1-O 3.38Å; S218-A232 PolarHBondContact N-O 3.38Å; S218-A232 PolarHBondContact OG-O 2.75Å; F219-A232 HydrophobicContact CB-CB 3.86Å; F219-A232 PolarHBondContact N-O 3.34Å; F219-A232 PolarHBondContact O-N 3.47Å; A232-L238 HydrophobicContact CB-CD2 3.44Å; A232-L238 VanDerWaalsContact CB-CD2 3.44Å; A232-L238 HydrophobicContact CB-CG 4.4Å
233	T	98.6	Very high	98	Very high	11 Å²	11	30.7 Å²	30.7	7%	0.067	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.9	178.8	41.4	0	0	0	0	110.5	P215 P216 V217 D235 T237	P215-T233 HydrophobicContact CG-CG2 3.86Å; P216-T233 WeakPolarHBondContact O-CA 3.44Å; V217-T233 HydrophobicContact CB-CG2 4.44Å; V217-T233 HydrophobicContact CG2-CG2 3.88Å; T233-D235 WeakPolarHBondContact CB-OD1 3.34Å; T233-D235 PolarHBondContact O-N 3.11Å; T233-D235 PolarHBondContact OG1-OD1 2.77Å; T233-T237 PolarHBondContact N-O 2.76Å; T233-T237 PolarHBondContact OG1-O 3.04Å
234	L	98.5	Very high	97.8	Very high	32 Å²	32	34 Å²	34	17%	0.168	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	38.9	-179.8	-63.9	-169	0	0	0	113.5	Y191 P216 S218 N257	Y191-L234 HydrophobicContact CD1-CD1 4.23Å; Y191-L234 HydrophobicContact CE1-CD1 3.88Å; P216-L234 HydrophobicContact CB-CB 4.37Å; P216-L234 HydrophobicContact CB-CD1 4.09Å; P216-L234 HydrophobicContact CB-CG 4.24Å; P216-L234 PolarHBondContact O-N 2.86Å; S218-L234 VanDerWaalsContact CB-CD2 3.45Å; L234-N257 CarbonylContact C-O 3.55Å; L234-N257 WeakPolarHBondContact CA-O 3.38Å
235	D	98.1	Very high	97.7	Very high	53 Å²	53	37.5 Å²	37.5	28%	0.283	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	24.9	175.4	67.9	-14.2	0	0	0	110.5	P215 T233 T237	P215-D235 HydrophobicContact CB-CB 4.23Å; P215-D235 HydrophobicContact CG-CB 4.45Å; T233-D235 WeakPolarHBondContact CB-OD1 3.34Å; T233-D235 PolarHBondContact O-N 3.11Å; T233-D235 PolarHBondContact OG1-OD1 2.77Å; D235-T237 VanDerWaalsContact C-N 3.31Å; D235-T237 PolarHBondContact O-N 3.5Å; D235-T237 PolarHBondContact O-OG1 3.17Å; D235-T237 WeakPolarHBondContact OD1-CB 3.5Å; D235-T237 PolarHBondContact OD1-N 2.84Å; D235-T237 PolarHBondContact OD1-OG1 3.24Å
236	N	98.6	Very high	97.6	Very high	37 Å²	37	35.1 Å²	35.1	20%	0.198	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	27.7	-176.8	-47.4	-75.5	0	0	0	114.9	H255 K256 N257 E258	N236-H255 PolarHBondContact O-CE1 2.78Å; N236-H255 VanDerWaalsContact O-CE1 3.24Å; N236-K256 VanDerWaalsContact OD1-CA 3.32Å; N236-K256 WeakPolarHBondContact OD1-CA 3.24Å; N236-K256 WeakPolarHBondContact OD1-CD 3.48Å; N236-N257 PolarHBondContact N-O 3.08Å; N236-N257 PolarHBondContact OD1-N 2.86Å; N236-E258 PolarHBondContact ND2-OE1 2.85Å; N236-E258 PolarHBondContact OD1-OE1 3.01Å
237	T	98.5	Very high	97.5	Very high	15 Å²	15	41.3 Å²	41.3	9%	0.092	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.5	-172.2	-53.1	0	0	0	0	113.4	T233 D235 K239 T251 T253	T233-T237 PolarHBondContact N-O 2.76Å; T233-T237 PolarHBondContact OG1-O 3.04Å; D235-T237 VanDerWaalsContact C-N 3.31Å; D235-T237 PolarHBondContact O-N 3.5Å; D235-T237 PolarHBondContact O-OG1 3.17Å; D235-T237 WeakPolarHBondContact OD1-CB 3.5Å; D235-T237 PolarHBondContact OD1-N 2.84Å; D235-T237 PolarHBondContact OD1-OG1 3.24Å; T237-K239 HydrophobicContact CG2-CD 4.4Å; T237-K239 HydrophobicContact CG2-CG 3.86Å; T237-T251 HydrophobicContact CG2-CG2 3.28Å; T237-T253 HydrophobicContact CG2-CG2 4.18Å
238	L	98.8	Very high	97.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.1	163.9	-76.8	162.4	0	0	0	109.5	L230 A231 A232 T251 Y252 A264 I274 W286	L230-L238 HydrophobicContact CD1-CB 4.39Å; L230-L238 HydrophobicContact CD1-CD2 4.35Å; L230-L238 HydrophobicContact CG-CD2 4.37Å; A231-L238 CarbonylContact O-C 3.54Å; A231-L238 WeakPolarHBondContact O-CA 3.31Å; A232-L238 HydrophobicContact CB-CD2 3.44Å; A232-L238 VanDerWaalsContact CB-CD2 3.44Å; A232-L238 HydrophobicContact CB-CG 4.4Å; L238-T251 CarbonylContact O-C 3.56Å; L238-T251 WeakPolarHBondContact O-CA 3.33Å; L238-Y252 HydrophobicContact CB-CD2 4.11Å; L238-Y252 PolarHBondContact N-O 3.1Å; L238-Y252 PolarHBondContact O-N 2.87Å; L238-A264 HydrophobicContact CD1-CB 4.26Å; L238-A264 HydrophobicContact CD2-CB 3.57Å; L238-I274 HydrophobicContact CD1-CG2 4.07Å; L238-W286 HydrophobicContact CD1-CH2 4.19Å; L238-W286 HydrophobicContact CD1-CZ3 4.09Å
239	K	98.6	Very high	97.4	Very high	28 Å²	28	37.4 Å²	37.4	12%	0.122	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.3	-179.5	-64.5	179.6	-179.2	173.8	0	111	D211 L230 A231 T237 W241 K250 T251	D211-K239 VanDerWaalsContact OD2-CD 3.28Å; D211-K239 WeakPolarHBondContact OD2-CD 3.42Å; D211-K239 WeakPolarHBondContact OD2-CE 3.32Å; D211-K239 IonicContact OD2-NZ 2.69Å; D211-K239 PolarHBondContact OD2-NZ 2.83Å; L230-K239 WeakPolarHBondContact CA-O 3.35Å; A231-K239 PolarHBondContact N-O 3.34Å; A231-K239 PolarHBondContact O-N 3.23Å; T237-K239 HydrophobicContact CG2-CD 4.4Å; T237-K239 HydrophobicContact CG2-CG 3.86Å; K239-W241 VanDerWaalsContact CB-NE1 3.29Å; K239-W241 HydrophobicContact CD-CZ2 4.41Å; K239-K250 CarbonylContact C-O 3.54Å; K239-K250 WeakPolarHBondContact CA-O 3.48Å; K239-T251 HydrophobicContact CG-CG2 4.4Å
240	L	98.6	Very high	97.4	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.3	170.8	-174.3	72.3	0	0	0	109.1	Y228 I229 L249 K250 Y252 F266 L288	Y228-L240 HydrophobicContact CG-CD1 4.36Å; Y228-L240 HydrophobicContact CG-CG 4.49Å; I229-L240 WeakPolarHBondContact O-CA 3.5Å; L240-L249 WeakPolarHBondContact O-CB 3.37Å; L240-L249 PolarHBondContact O-N 2.89Å; L240-K250 HydrophobicContact CB-CB 3.99Å; L240-K250 HydrophobicContact CD2-CG 4.19Å; L240-K250 PolarHBondContact N-O 2.86Å; L240-K250 PolarHBondContact O-N 3.21Å; L240-Y252 HydrophobicContact CB-CE2 4.13Å; L240-F266 HydrophobicContact CD1-CE1 3.68Å; L240-F266 HydrophobicContact CD1-CZ 3.59Å; L240-L288 HydrophobicContact CD2-CD1 4.42Å
241	W	98.4	Very high	97.4	Very high	23 Å²	23	43.6 Å²	43.6	9%	0.087	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.7	-176.4	-69.3	78	0	0	0	112.3	D211 Y228 I229 K239 Y243 K247 C248	D211-W241 HydrophobicContact CB-CH2 4.31Å; D211-W241 HydrophobicContact CB-CZ2 4.12Å; D211-W241 WeakPolarHBondContact OD2-CZ2 3.4Å; Y228-W241 CarbonylContact C-O 3.52Å; Y228-W241 WeakPolarHBondContact CA-O 3.47Å; Y228-W241 WeakPolarHBondContact CB-O 3.35Å; I229-W241 HydrophobicContact CD1-CB 4.36Å; I229-W241 HydrophobicContact CG1-CB 3.7Å; I229-W241 HydrophobicContact CG1-CG 4.38Å; I229-W241 PolarHBondContact N-O 3.05Å; I229-W241 PolarHBondContact O-N 2.59Å; K239-W241 VanDerWaalsContact CB-NE1 3.29Å; K239-W241 HydrophobicContact CD-CZ2 4.41Å; W241-Y243 PolarHBondContact O-N 3.34Å; W241-K247 WeakPolarHBondContact CA-O 3.16Å; W241-C248 HydrophobicContact CD2-CB 4Å; W241-C248 HydrophobicContact CE3-CB 4.18Å; W241-C248 HydrophobicContact CH2-CB 3.99Å; W241-C248 HydrophobicContact CZ2-CB 3.81Å; W241-C248 HydrophobicContact CZ3-CB 4.17Å
242	D	97.8	Very high	97.4	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.08	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	98	156.1	-174.1	-29.6	0	0	0	107.6	Y228 S244 K245 G246 K247 L249	Y228-D242 HydrophobicContact CD1-CB 4.43Å; D242-S244 PolarHBondContact O-N 2.96Å; D242-S244 WeakPolarHBondContact OD1-CB 3.44Å; D242-S244 PolarHBondContact OD1-N 3.49Å; D242-S244 PolarHBondContact OD1-OG 2.97Å; D242-K245 HydrophobicContact CB-CB 4.29Å; D242-K245 PolarHBondContact O-N 2.89Å; D242-K245 PolarHBondContact OD1-N 3.28Å; D242-K245 VanDerWaalsContact OD1-N 3.1Å; D242-K245 VanDerWaalsContact OD2-CD 3.27Å; D242-K245 WeakPolarHBondContact OD2-CD 3.42Å; D242-K245 WeakPolarHBondContact OD2-CE 3.29Å; D242-K245 IonicContact OD2-NZ 3.58Å; D242-G246 WeakPolarHBondContact O-CA 3.31Å; D242-G246 PolarHBondContact O-N 3.1Å; D242-K247 PolarHBondContact N-O 2.96Å; D242-K247 PolarHBondContact O-N 2.81Å; D242-L249 HydrophobicContact CB-CD1 3.95Å; D242-L249 HydrophobicContact CB-CD2 4.1Å; D242-L249 HydrophobicContact CB-CG 4.06Å
243	Y	95.3	Very high	97.4	Very high	43 Å²	43	47.2 Å²	47.2	17%	0.169	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.8	-177.4	71.9	-92.8	0	0	0	112.7	L185 I197 K207 F222 G226 K227 I229 W241 K245 G246	L185-Y243 HydrophobicContact CD1-CE2 4.12Å; I197-Y243 VanDerWaalsContact CD1-CB 3.42Å; I197-Y243 HydrophobicContact CD1-CD1 4.5Å; I197-Y243 HydrophobicContact CD1-CD2 3.32Å; I197-Y243 HydrophobicContact CD1-CE2 4.21Å; I197-Y243 HydrophobicContact CD1-CG 3.5Å; K207-Y243 WeakPolarHBondContact CD-O 3.37Å; K207-Y243 PolarHBondContact NZ-O 2.93Å; F222-Y243 HydrophobicContact CD1-CD1 4.46Å; F222-Y243 HydrophobicContact CD1-CE1 4.1Å; F222-Y243 HydrophobicContact CE1-CD1 4.06Å; F222-Y243 AromaticContact CE1-CE1 3.75Å; F222-Y243 HydrophobicContact CE1-CE1 3.75Å; G226-Y243 VanDerWaalsContact O-CE1 3.25Å; G226-Y243 WeakPolarHBondContact O-CE1 3.36Å; G226-Y243 PolarHBondContact O-OH 2.97Å; K227-Y243 WeakPolarHBondContact O-CD1 3.05Å; K227-Y243 WeakPolarHBondContact O-CE1 3.11Å; I229-Y243 HydrophobicContact CG2-CD1 4.11Å; W241-Y243 PolarHBondContact O-N 3.34Å; Y243-K245 VanDerWaalsContact C-N 3.32Å; Y243-G246 PolarHBondContact O-N 2.95Å
244	S	95.1	Very high	97.4	Very high	75 Å²	75	48.9 Å²	48.9	52%	0.524	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-38.5	176.1	77.3	0	0	0	0	110.7	K207 D242	K207-S244 PolarHBondContact NZ-O 3.35Å; D242-S244 PolarHBondContact O-N 2.96Å; D242-S244 WeakPolarHBondContact OD1-CB 3.44Å; D242-S244 PolarHBondContact OD1-N 3.49Å; D242-S244 PolarHBondContact OD1-OG 2.97Å
245	K	95.1	Very high	97.4	Very high	146 Å²	146	47.8 Å²	47.8	64%	0.635	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-14	177.1	-62	179.3	-169.5	164.4	0	114	D242 Y243 K247	D242-K245 HydrophobicContact CB-CB 4.29Å; D242-K245 PolarHBondContact O-N 2.89Å; D242-K245 PolarHBondContact OD1-N 3.28Å; D242-K245 VanDerWaalsContact OD1-N 3.1Å; D242-K245 VanDerWaalsContact OD2-CD 3.27Å; D242-K245 WeakPolarHBondContact OD2-CD 3.42Å; D242-K245 WeakPolarHBondContact OD2-CE 3.29Å; D242-K245 IonicContact OD2-NZ 3.58Å; Y243-K245 VanDerWaalsContact C-N 3.32Å; K245-K247 VanDerWaalsContact C-N 3.32Å; K245-K247 HydrophobicContact CB-CG 4.42Å
246	G	93.4	Very high	97.4	Very high	32 Å²	32	49 Å²	49	33%	0.33	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	36.1	-174.9	0	0	0	0	0	112.7	D242 Y243	D242-G246 WeakPolarHBondContact O-CA 3.31Å; D242-G246 PolarHBondContact O-N 3.1Å; Y243-G246 PolarHBondContact O-N 2.95Å
247	K	94.1	Very high	97.4	Very high	139 Å²	139	47.2 Å²	47.2	60%	0.604	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.3	-177	-68.4	-169.4	176.9	-171	0	112.1	W241 D242 K245	W241-K247 WeakPolarHBondContact CA-O 3.16Å; D242-K247 PolarHBondContact N-O 2.96Å; D242-K247 PolarHBondContact O-N 2.81Å; K245-K247 VanDerWaalsContact C-N 3.32Å; K245-K247 HydrophobicContact CB-CG 4.42Å
248	C	96	Very high	97.4	Very high	48 Å²	48	51 Å²	51	32%	0.324	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.8	166.3	-175.1	0	0	0	0	109.2	W241	W241-C248 HydrophobicContact CD2-CB 4Å; W241-C248 HydrophobicContact CE3-CB 4.18Å; W241-C248 HydrophobicContact CH2-CB 3.99Å; W241-C248 HydrophobicContact CZ2-CB 3.81Å; W241-C248 HydrophobicContact CZ3-CB 4.17Å
249	L	97.1	Very high	97.4	Very high	77 Å²	77	57.1 Å²	57.1	40%	0.403	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-37.4	-179.1	-59.3	-177.3	0	0	0	112.5	Y228 L240 D242	Y228-L249 HydrophobicContact CD1-CD1 3.8Å; Y228-L249 HydrophobicContact CE1-CD1 3.62Å; L240-L249 WeakPolarHBondContact O-CB 3.37Å; L240-L249 PolarHBondContact O-N 2.89Å; D242-L249 HydrophobicContact CB-CD1 3.95Å; D242-L249 HydrophobicContact CB-CD2 4.1Å; D242-L249 HydrophobicContact CB-CG 4.06Å
250	K	98.2	Very high	97.4	Very high	71 Å²	71	59.1 Å²	59.1	31%	0.309	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.7	-173.6	-55.5	-71.5	173.5	169.7	0	109.9	K239 L240 Y252 Q289 K291	K239-K250 CarbonylContact C-O 3.54Å; K239-K250 WeakPolarHBondContact CA-O 3.48Å; L240-K250 HydrophobicContact CB-CB 3.99Å; L240-K250 HydrophobicContact CD2-CG 4.19Å; L240-K250 PolarHBondContact N-O 2.86Å; L240-K250 PolarHBondContact O-N 3.21Å; K250-Y252 HydrophobicContact CB-CE2 3.95Å; K250-Q289 PolarHBondContact NZ-O 2.64Å; K250-K291 HydrophobicContact CB-CD 4.44Å; K250-K291 HydrophobicContact CB-CG 4.29Å; K250-K291 HydrophobicContact CD-CD 4.02Å; K250-K291 HydrophobicContact CD-CG 3.99Å
251	T	98.3	Very high	97.4	Very high	59 Å²	59	59.1 Å²	59.1	36%	0.362	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.1	178	-50.6	0	0	0	0	108	T237 L238 K239 T253 K291	T237-T251 HydrophobicContact CG2-CG2 3.28Å; L238-T251 CarbonylContact O-C 3.56Å; L238-T251 WeakPolarHBondContact O-CA 3.33Å; K239-T251 HydrophobicContact CG-CG2 4.4Å; T251-T253 HydrophobicContact CG2-CG2 4.06Å; T251-K291 WeakPolarHBondContact O-CD 3.29Å
252	Y	98.8	Very high	97.5	Very high	1 Å²	1	58 Å²	58	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.3	178.1	-45.2	-91.8	0	0	0	108.7	L230 L238 L240 K250 I274 W286 L288 K291	L230-Y252 HydrophobicContact CD1-CE2 4.41Å; L238-Y252 HydrophobicContact CB-CD2 4.11Å; L238-Y252 PolarHBondContact N-O 3.1Å; L238-Y252 PolarHBondContact O-N 2.87Å; L240-Y252 HydrophobicContact CB-CE2 4.13Å; K250-Y252 HydrophobicContact CB-CE2 3.95Å; Y252-I274 HydrophobicContact CD1-CG1 4.39Å; Y252-I274 HydrophobicContact CD2-CG1 4.26Å; Y252-I274 HydrophobicContact CE1-CG1 3.94Å; Y252-I274 HydrophobicContact CE2-CG1 3.78Å; Y252-W286 HydrophobicContact CD1-CB 3.73Å; Y252-W286 HydrophobicContact CD1-CG 4.02Å; Y252-W286 HydrophobicContact CE1-CB 4.35Å; Y252-W286 HydrophobicContact CG-CG 4.46Å; Y252-L288 PolarHBondContact OH-O 2.99Å; Y252-K291 HydrophobicContact CD1-CB 3.93Å; Y252-K291 HydrophobicContact CD1-CG 4.27Å; Y252-K291 HydrophobicContact CE1-CB 4.1Å; Y252-K291 HydrophobicContact CE1-CG 4.04Å
253	T	98.8	Very high	97.5	Very high	78 Å²	78	58.6 Å²	58.6	48%	0.479	31%	0.307	S	S	.	.			trans	-132.3	176.7	-175.2	58.1	0	0	0	0	110.6	T237 T251 W286	T237-T253 HydrophobicContact CG2-CG2 4.18Å; T251-T253 HydrophobicContact CG2-CG2 4.06Å; T253-W286 PolarHBondContact O-NE1 3.13Å
254	G	98.6	Very high	97.7	Very high	46 Å²	46	56.5 Å²	56.5	47%	0.474	30%	0.299	S	S	.	.	S	Bend	trans	99.6	-4.3	176.8	0	0	0	0	0	114.8	Y284	G254-Y284 WeakPolarHBondContact O-CE1 3.47Å; G254-Y284 VanDerWaalsContact O-CZ 3.29Å; G254-Y284 PolarHBondContact O-OH 2.89Å; G254-Y284 VanDerWaalsContact O-OH 3.11Å
255	H	98.8	Very high	97.9	Very high	10 Å²	10	53.6 Å²	53.6	5%	0.046	28%	0.277	C	S	.	.	S	Bend	trans	-90.5	173.3	162.8	70.4	-72	0	0	0	109.9	N236 Y284 W286	N236-H255 PolarHBondContact O-CE1 2.78Å; N236-H255 VanDerWaalsContact O-CE1 3.24Å; H255-Y284 HydrophobicContact CB-CD1 4.08Å; H255-Y284 HydrophobicContact CB-CD2 3.68Å; H255-Y284 HydrophobicContact CB-CE1 4.19Å; H255-Y284 HydrophobicContact CB-CE2 3.81Å; H255-Y284 HydrophobicContact CB-CG 3.85Å; H255-W286 HydrophobicContact CB-CH2 3.78Å; H255-W286 HydrophobicContact CB-CZ2 3.87Å; H255-W286 AromaticContact CG-CH2 3.74Å; H255-W286 AromaticContact CG-CZ2 3.94Å; H255-W286 AromaticContact ND1-CH2 3.57Å; H255-W286 AromaticContact ND1-CZ2 3.51Å
256	K	98.9	Very high	98	Very high	77 Å²	77	47.7 Å²	47.7	34%	0.335	25%	0.252	S	S	.	.			trans	-111.5	124.3	174.8	-175.3	79.9	-175.9	-176.7	0	109.6	N236 E258 S278 E279 D280	N236-K256 VanDerWaalsContact OD1-CA 3.32Å; N236-K256 WeakPolarHBondContact OD1-CA 3.24Å; N236-K256 WeakPolarHBondContact OD1-CD 3.48Å; K256-E258 WeakPolarHBondContact CE-OE1 3.23Å; K256-E258 WeakPolarHBondContact CE-OE2 3.38Å; K256-E258 IonicContact NZ-OE1 2.81Å; K256-E258 PolarHBondContact NZ-OE1 2.82Å; K256-E258 IonicContact NZ-OE2 2.58Å; K256-E258 PolarHBondContact NZ-OE2 3.03Å; K256-S278 PolarHBondContact N-OG 2.98Å; K256-S278 PolarHBondContact O-OG 2.78Å; K256-E279 HydrophobicContact CB-CB 4.09Å; K256-E279 HydrophobicContact CG-CB 3.77Å; K256-E279 WeakPolarHBondContact O-CG 3.33Å; K256-E279 PolarHBondContact O-N 2.92Å; K256-D280 HydrophobicContact CB-CB 4.4Å
257	N	98.8	Very high	98.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.			trans	-157.5	96.7	175.4	-170.7	14	0	0	0	110.4	S218 L234 N236 Y260 I262 E279	S218-N257 PolarHBondContact OG-ND2 3.2Å; L234-N257 CarbonylContact C-O 3.55Å; L234-N257 WeakPolarHBondContact CA-O 3.38Å; N236-N257 PolarHBondContact N-O 3.08Å; N236-N257 PolarHBondContact OD1-N 2.86Å; N257-Y260 PolarHBondContact OD1-O 2.89Å; N257-I262 HydrophobicContact CB-CD1 4.33Å; N257-E279 PolarHBondContact OD1-OE1 2.95Å
258	E	98.6	Very high	98.4	Very high	94 Å²	94	42.5 Å²	42.5	44%	0.439	23%	0.225	S	C	.	.	S	Bend	trans	-126.8	-8.5	-179	-75.7	168.9	-164.8	0	0	112.8	N236 K256 E279	N236-E258 PolarHBondContact ND2-OE1 2.85Å; N236-E258 PolarHBondContact OD1-OE1 3.01Å; K256-E258 WeakPolarHBondContact CE-OE1 3.23Å; K256-E258 WeakPolarHBondContact CE-OE2 3.38Å; K256-E258 IonicContact NZ-OE1 2.81Å; K256-E258 PolarHBondContact NZ-OE1 2.82Å; K256-E258 IonicContact NZ-OE2 2.58Å; K256-E258 PolarHBondContact NZ-OE2 3.03Å; E258-E279 VanDerWaalsContact N-CD 3.34Å; E258-E279 PolarHBondContact N-OE1 3.22Å; E258-E279 PolarHBondContact N-OE2 2.81Å
259	K	98.6	Very high	98.3	Very high	130 Å²	130	42.3 Å²	42.3	57%	0.565	22%	0.223	S	C	*	.	S	Bend	trans	-131.6	-42	-172.3	-176.3	178.2	176.9	-166.9	0	113.9	E279	K259-E279 WeakPolarHBondContact CA-OE1 3.3Å; K259-E279 WeakPolarHBondContact CB-OE1 3.27Å; K259-E279 PolarHBondContact N-OE1 2.91Å
260	Y	98.8	Very high	98	Very high	69 Å²	69	39.9 Å²	39.9	27%	0.271	22%	0.216	S	C	.	.	S	Bend	trans	-103.4	151.7	-167.1	-61.6	-79.5	0	0	0	114	N257 I262 E279 V303 I305 L321	N257-Y260 PolarHBondContact OD1-O 2.89Å; Y260-I262 VanDerWaalsContact C-N 3.28Å; Y260-I262 PolarHBondContact O-N 3.3Å; Y260-E279 HydrophobicContact CD2-CG 3.96Å; Y260-E279 PolarHBondContact N-OE1 2.68Å; Y260-E279 VanDerWaalsContact N-OE1 3.11Å; Y260-V303 HydrophobicContact CD2-CG1 3.88Å; Y260-V303 HydrophobicContact CD2-CG2 4.21Å; Y260-V303 HydrophobicContact CE2-CB 4.44Å; Y260-V303 HydrophobicContact CE2-CG1 4.28Å; Y260-V303 HydrophobicContact CE2-CG2 3.79Å; Y260-V303 HydrophobicContact CG-CG1 4.42Å; Y260-I305 HydrophobicContact CD1-CD1 4.42Å; Y260-I305 HydrophobicContact CG-CD1 4.26Å; Y260-L321 HydrophobicContact CD1-CD1 3.98Å; Y260-L321 HydrophobicContact CD2-CD1 4.42Å; Y260-L321 HydrophobicContact CE1-CD1 3.55Å; Y260-L321 HydrophobicContact CE2-CD1 4.01Å; Y260-L321 HydrophobicContact CG-CD1 4.39Å
261	C	98.8	Very high	97.7	Very high	8 Å²	8	37.6 Å²	37.6	5%	0.054	21%	0.212	C	C	.	.			trans	-78.8	77.8	170.5	-63.5	0	0	0	0	110.9	F133 Y191 S218	F133-C261 HydrophobicContact CE1-CB 3.6Å; F133-C261 HydrophobicContact CZ-CB 3.63Å; Y191-C261 VanDerWaalsContact CZ-SG 3.57Å; Y191-C261 PolarHBondContact OH-SG 2.98Å; S218-C261 WeakPolarHBondContact O-CA 3.25Å; S218-C261 WeakPolarHBondContact O-CB 3.23Å; S218-C261 PolarHBondContact O-SG 3.3Å; S218-C261 VanDerWaalsContact O-SG 3.38Å
262	I	98.9	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.			trans	-79.1	127.6	-177.7	-59.1	-178.7	0	0	0	110.7	F219 N257 Y260 E279 V303 I305	F219-I262 WeakPolarHBondContact CB-O 3.35Å; N257-I262 HydrophobicContact CB-CD1 4.33Å; Y260-I262 VanDerWaalsContact C-N 3.28Å; Y260-I262 PolarHBondContact O-N 3.3Å; I262-E279 HydrophobicContact CD1-CG 3.94Å; I262-V303 HydrophobicContact CD1-CG1 4.26Å; I262-I305 WeakPolarHBondContact CA-O 3.32Å; I262-I305 HydrophobicContact CG1-CD1 4.25Å
263	F	98.8	Very high	97.6	Very high	27 Å²	27	39.8 Å²	39.8	12%	0.118	22%	0.217	C	C	.	.			trans	-69.8	133.3	176.5	-69.6	-99.7	0	0	0	111.9	D92 F219 I305 S306 T307	D92-F263 WeakPolarHBondContact OD1-CZ 3.26Å; F219-F263 AromaticContact CD2-CD1 3.99Å; F219-F263 HydrophobicContact CD2-CD1 3.99Å; F219-F263 HydrophobicContact CD2-CE1 4.44Å; F219-F263 HydrophobicContact CD2-CG 4.38Å; F219-F263 HydrophobicContact CE2-CB 4.36Å; F219-F263 AromaticContact CE2-CD1 3.34Å; F219-F263 HydrophobicContact CE2-CD1 3.34Å; F219-F263 AromaticContact CE2-CE1 3.85Å; F219-F263 HydrophobicContact CE2-CE1 3.85Å; F219-F263 HydrophobicContact CE2-CG 4.08Å; F219-F263 HydrophobicContact CZ-CD1 4.02Å; F263-I305 PolarHBondContact N-O 3.5Å; F263-I305 VanDerWaalsContact N-O 3.17Å; F263-S306 WeakPolarHBondContact CD2-OG 3.25Å; F263-T307 PolarHBondContact O-OG1 2.76Å
264	A	98.8	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.9	172.4	0	0	0	0	0	112.4	F219 K221 L230 L238 V275	F219-A264 HydrophobicContact CD1-CB 4.05Å; F219-A264 HydrophobicContact CE1-CB 4.2Å; F219-A264 WeakPolarHBondContact CE1-O 3.44Å; K221-A264 VanDerWaalsContact CD-O 3.22Å; K221-A264 WeakPolarHBondContact CD-O 3.29Å; L230-A264 HydrophobicContact CD2-CB 3.71Å; L230-A264 HydrophobicContact CG-CB 4.46Å; L238-A264 HydrophobicContact CD1-CB 4.26Å; L238-A264 HydrophobicContact CD2-CB 3.57Å; A264-V275 CarbonylContact C-O 3.57Å; A264-V275 VanDerWaalsContact CA-O 3.28Å; A264-V275 WeakPolarHBondContact CA-O 3.39Å
265	N	98.9	Very high	97.6	Very high	14 Å²	14	33.9 Å²	33.9	8%	0.075	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.7	-169.4	-65.3	-75.3	0	0	0	113.5	K221 I274 V275 T307	K221-N265 PolarHBondContact NZ-OD1 3.5Å; N265-I274 CarbonylContact O-C 3.59Å; N265-I274 WeakPolarHBondContact O-CA 3.12Å; N265-V275 HydrophobicContact CB-CB 4.38Å; N265-V275 PolarHBondContact N-O 2.86Å; N265-V275 PolarHBondContact O-N 3.43Å; N265-T307 PolarHBondContact ND2-O 2.85Å; N265-T307 PolarHBondContact ND2-OG1 2.63Å
266	F	98.8	Very high	97.6	Very high	22 Å²	22	33.4 Å²	33.4	10%	0.096	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.2	162.5	-63.3	-88.3	0	0	0	108.5	K221 S223 P224 L230 L240 V268 W273 I274 L288	K221-F266 HydrophobicContact CD-CD2 4.42Å; K221-F266 HydrophobicContact CG-CE2 4.2Å; S223-F266 VanDerWaalsContact CA-CE2 3.44Å; P224-F266 HydrophobicContact CG-CB 4.11Å; L230-F266 HydrophobicContact CB-CE2 3.65Å; L230-F266 HydrophobicContact CB-CZ 3.58Å; L230-F266 HydrophobicContact CD2-CE2 4.21Å; L230-F266 HydrophobicContact CD2-CZ 4.38Å; L240-F266 HydrophobicContact CD1-CE1 3.68Å; L240-F266 HydrophobicContact CD1-CZ 3.59Å; F266-V268 HydrophobicContact CB-CG1 4.09Å; F266-W273 WeakPolarHBondContact CA-O 3.43Å; F266-I274 HydrophobicContact CD1-CD1 3.61Å; F266-I274 HydrophobicContact CE1-CD1 3.69Å; F266-I274 HydrophobicContact CG-CD1 4.35Å; F266-I274 HydrophobicContact CZ-CD1 4.47Å; F266-L288 HydrophobicContact CD1-CD1 3.85Å; F266-L288 HydrophobicContact CE1-CD1 3.84Å
267	S	98.1	Very high	97.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	124	165.1	-173.6	0	0	0	0	108.5	W273	S267-W273 PolarHBondContact N-O 3.29Å; S267-W273 PolarHBondContact O-N 2.54Å; S267-W273 VanDerWaalsContact O-N 3.1Å
268	V	96.4	Very high	97.6	Very high	61 Å²	61	29.8 Å²	29.8	37%	0.37	15%	0.153	S	C	.	.			trans	-130.6	-2	-171.2	-63.7	0	0	0	0	115	P224 F266 K272	P224-V268 HydrophobicContact CG-CG1 4.06Å; F266-V268 HydrophobicContact CB-CG1 4.09Å; V268-K272 HydrophobicContact CG1-CD 4.45Å; V268-K272 PolarHBondContact O-NZ 2.94Å
269	T	94.4	Very high	97.7	Very high	44 Å²	44	26.9 Å²	26.9	27%	0.27	14%	0.14	S	C	.	.	S	Bend	trans	-76.7	-48.5	-175.5	42.7	0	0	0	0	112	H310 P311 E313 N314	T269-H310 WeakPolarHBondContact CG2-O 3.34Å; T269-P311 WeakPolarHBondContact CG2-O 3.16Å; T269-E313 PolarHBondContact OG1-O 3.45Å; T269-N314 PolarHBondContact OG1-OD1 3.28Å
270	G	91.3	Very high	97.7	Very high	26 Å²	26	23.6 Å²	23.6	27%	0.268	13%	0.129	S	C	.	.	S	Bend	trans	-99.4	-120.4	168.7	0	0	0	0	0	112.2	N314 C334	G270-N314 WeakPolarHBondContact CA-OD1 3.34Å; G270-N314 PolarHBondContact N-OD1 3.45Å; G270-C334 WeakPolarHBondContact CA-OXT 3.33Å
271	G	91.6	Very high	97.7	Very high	22 Å²	22	22.7 Å²	22.7	23%	0.227	13%	0.129	C	C	.	.	S	Bend	trans	-59.6	165.3	168.9	0	0	0	0	0	113.7	W273 C334	G271-W273 PolarHBondContact O-N 3.27Å; G271-W273 PolarHBondContact O-NE1 3.37Å; G271-C334 PolarHBondContact N-OXT 3.35Å
272	K	96.9	Very high	97.7	Very high	100 Å²	100	23.8 Å²	23.8	44%	0.435	13%	0.134	S	C	.	.			trans	-93.6	101.6	179.3	-57.2	-52.1	178.1	-161.8	0	109.7	V268 L288	V268-K272 HydrophobicContact CG1-CD 4.45Å; V268-K272 PolarHBondContact O-NZ 2.94Å; K272-L288 HydrophobicContact CB-CB 4.19Å; K272-L288 HydrophobicContact CB-CD2 4.31Å; K272-L288 VanDerWaalsContact O-CB 3.24Å; K272-L288 WeakPolarHBondContact O-CB 3.28Å; K272-L288 PolarHBondContact O-N 2.86Å
273	W	98.5	Very high	97.7	Very high	7 Å²	7	23.8 Å²	23.8	3%	0.027	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.9	-173.8	-39.7	118	0	0	0	112.4	P33 F266 S267 G271 V275 I285 W286 N287 V294	P33-W273 HydrophobicContact CG-CD2 4.45Å; P33-W273 HydrophobicContact CG-CZ2 4.22Å; F266-W273 WeakPolarHBondContact CA-O 3.43Å; S267-W273 PolarHBondContact N-O 3.29Å; S267-W273 PolarHBondContact O-N 2.54Å; S267-W273 VanDerWaalsContact O-N 3.1Å; G271-W273 PolarHBondContact O-N 3.27Å; G271-W273 PolarHBondContact O-NE1 3.37Å; W273-V275 HydrophobicContact CB-CG2 4.44Å; W273-I285 HydrophobicContact CB-CG2 3.66Å; W273-I285 HydrophobicContact CD2-CG2 4.37Å; W273-I285 HydrophobicContact CG-CG2 3.9Å; W273-W286 CarbonylContact C-O 3.52Å; W273-W286 WeakPolarHBondContact CA-O 3.22Å; W273-N287 HydrophobicContact CE3-CB 4.26Å; W273-N287 HydrophobicContact CZ3-CB 3.87Å; W273-V294 HydrophobicContact CD2-CG2 4.45Å; W273-V294 HydrophobicContact CE3-CG2 3.85Å; W273-V294 HydrophobicContact CZ3-CB 4.49Å; W273-V294 HydrophobicContact CZ3-CG1 4Å; W273-V294 HydrophobicContact CZ3-CG2 3.96Å
274	I	98.9	Very high	97.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.9	156.6	-61.9	-54.6	0	0	0	107.6	L230 L238 Y252 N265 F266 I285 W286 L288	L230-I274 HydrophobicContact CD1-CD1 4.21Å; L230-I274 HydrophobicContact CD1-CG2 4.49Å; L230-I274 HydrophobicContact CD2-CD1 3.98Å; L230-I274 HydrophobicContact CD2-CG2 4.16Å; L238-I274 HydrophobicContact CD1-CG2 4.07Å; Y252-I274 HydrophobicContact CD1-CG1 4.39Å; Y252-I274 HydrophobicContact CD2-CG1 4.26Å; Y252-I274 HydrophobicContact CE1-CG1 3.94Å; Y252-I274 HydrophobicContact CE2-CG1 3.78Å; N265-I274 CarbonylContact O-C 3.59Å; N265-I274 WeakPolarHBondContact O-CA 3.12Å; F266-I274 HydrophobicContact CD1-CD1 3.61Å; F266-I274 HydrophobicContact CE1-CD1 3.69Å; F266-I274 HydrophobicContact CG-CD1 4.35Å; F266-I274 HydrophobicContact CZ-CD1 4.47Å; I274-I285 CarbonylContact O-C 3.55Å; I274-I285 WeakPolarHBondContact O-CA 3.41Å; I274-W286 HydrophobicContact CB-CB 4.4Å; I274-W286 HydrophobicContact CB-CE3 4.42Å; I274-W286 HydrophobicContact CG2-CE3 4.16Å; I274-W286 PolarHBondContact N-O 3.45Å; I274-W286 PolarHBondContact O-N 2.96Å; I274-L288 HydrophobicContact CD1-CD1 3.51Å; I274-L288 HydrophobicContact CG1-CD1 3.94Å
275	V	98.9	Very high	97.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.3	177.6	-178.3	0	0	0	0	108.5	A264 N265 W273 V283 Y284 I285 T307 I316	A264-V275 CarbonylContact C-O 3.57Å; A264-V275 VanDerWaalsContact CA-O 3.28Å; A264-V275 WeakPolarHBondContact CA-O 3.39Å; N265-V275 HydrophobicContact CB-CB 4.38Å; N265-V275 PolarHBondContact N-O 2.86Å; N265-V275 PolarHBondContact O-N 3.43Å; W273-V275 HydrophobicContact CB-CG2 4.44Å; V275-V283 HydrophobicContact CG1-CG1 3.79Å; V275-Y284 WeakPolarHBondContact CA-O 3.27Å; V275-I285 HydrophobicContact CG2-CG1 4.36Å; V275-I285 HydrophobicContact CG2-CG2 4.32Å; V275-T307 HydrophobicContact CG1-CG2 4.46Å; V275-I316 HydrophobicContact CG1-CD1 3.97Å; V275-I316 HydrophobicContact CG1-CG2 4.34Å; V275-I316 HydrophobicContact CG2-CD1 3.94Å
276	S	98.9	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.1	175	-172.1	0	0	0	0	110.7	Y284	S276-Y284 PolarHBondContact N-O 3.09Å; S276-Y284 PolarHBondContact O-N 2.77Å
277	G	98.9	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.			trans	-71.8	-179.9	159.8	0	0	0	0	0	111.3	V304	G277-V304 VanDerWaalsContact CA-O 3.3Å; G277-V304 WeakPolarHBondContact CA-O 3.43Å
278	S	98.9	Very high	97.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.			trans	-159.3	152.5	-177.9	-179.6	0	0	0	0	110.6	K256 D280 N281 L282 V304	K256-S278 PolarHBondContact N-OG 2.98Å; K256-S278 PolarHBondContact O-OG 2.78Å; S278-D280 WeakPolarHBondContact CB-OD1 3.28Å; S278-D280 PolarHBondContact O-N 3.23Å; S278-D280 PolarHBondContact OG-OD1 2.85Å; S278-N281 PolarHBondContact O-N 3.34Å; S278-L282 WeakPolarHBondContact CB-O 3.3Å; S278-L282 PolarHBondContact N-O 3.38Å; S278-V304 PolarHBondContact N-O 2.85Å; S278-V304 PolarHBondContact O-N 2.96Å
279	E	98.9	Very high	97.7	Very high	34 Å²	34	25.6 Å²	25.6	16%	0.159	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10	178	-60.8	178.4	174.3	0	0	113.5	K256 N257 E258 K259 Y260 I262 N281 V303	K256-E279 HydrophobicContact CB-CB 4.09Å; K256-E279 HydrophobicContact CG-CB 3.77Å; K256-E279 WeakPolarHBondContact O-CG 3.33Å; K256-E279 PolarHBondContact O-N 2.92Å; N257-E279 PolarHBondContact OD1-OE1 2.95Å; E258-E279 VanDerWaalsContact N-CD 3.34Å; E258-E279 PolarHBondContact N-OE1 3.22Å; E258-E279 PolarHBondContact N-OE2 2.81Å; K259-E279 WeakPolarHBondContact CA-OE1 3.3Å; K259-E279 WeakPolarHBondContact CB-OE1 3.27Å; K259-E279 PolarHBondContact N-OE1 2.91Å; Y260-E279 HydrophobicContact CD2-CG 3.96Å; Y260-E279 PolarHBondContact N-OE1 2.68Å; Y260-E279 VanDerWaalsContact N-OE1 3.11Å; I262-E279 HydrophobicContact CD1-CG 3.94Å; E279-N281 PolarHBondContact O-N 2.95Å; E279-N281 PolarHBondContact O-OD1 3.07Å; E279-V303 HydrophobicContact CB-CG1 4.47Å; E279-V303 HydrophobicContact CB-CG2 4.23Å; E279-V303 HydrophobicContact CG-CG1 4.08Å; E279-V303 HydrophobicContact CG-CG2 4.44Å
280	D	98.8	Very high	97.9	Very high	61 Å²	61	26.7 Å²	26.7	33%	0.326	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	16.6	171.1	69.9	-6.5	0	0	0	113	K256 S278 L282 Y284	K256-D280 HydrophobicContact CB-CB 4.4Å; S278-D280 WeakPolarHBondContact CB-OD1 3.28Å; S278-D280 PolarHBondContact O-N 3.23Å; S278-D280 PolarHBondContact OG-OD1 2.85Å; D280-L282 PolarHBondContact O-N 2.6Å; D280-L282 PolarHBondContact OD1-N 2.93Å; D280-Y284 WeakPolarHBondContact OD1-CE2 3.45Å; D280-Y284 WeakPolarHBondContact OD2-CE2 3.02Å; D280-Y284 PolarHBondContact OD2-OH 3.01Å
281	N	98.9	Very high	98.2	Very high	50 Å²	50	30.2 Å²	30.2	27%	0.267	15%	0.154	S	C	.	.	S	Bend	trans	69.1	12.3	176.7	-45.3	-17	0	0	0	115.1	S278 E279 D302 V303 V304	S278-N281 PolarHBondContact O-N 3.34Å; E279-N281 PolarHBondContact O-N 2.95Å; E279-N281 PolarHBondContact O-OD1 3.07Å; N281-D302 WeakPolarHBondContact CA-O 3.37Å; N281-D302 WeakPolarHBondContact CB-O 3.37Å; N281-D302 VanDerWaalsContact CG-C 3.42Å; N281-D302 WeakPolarHBondContact OD1-CA 3.34Å; N281-D302 PolarHBondContact OD1-O 3.04Å; N281-V303 PolarHBondContact OD1-N 2.8Å; N281-V303 VanDerWaalsContact OD1-N 3.14Å; N281-V304 WeakPolarHBondContact O-CG2 3.45Å
282	L	98.9	Very high	98.5	Very high	31 Å²	31	35.1 Å²	35.1	16%	0.162	17%	0.171	C	C	.	.			trans	-104	154.1	179.3	-56.2	177.7	0	0	0	112.2	S278 D280 Y284 K296 L297 Q298	S278-L282 WeakPolarHBondContact CB-O 3.3Å; S278-L282 PolarHBondContact N-O 3.38Å; D280-L282 PolarHBondContact O-N 2.6Å; D280-L282 PolarHBondContact OD1-N 2.93Å; L282-Y284 HydrophobicContact CB-CD2 4.09Å; L282-Y284 HydrophobicContact CB-CE2 3.74Å; L282-Y284 HydrophobicContact CD1-CE2 4.19Å; L282-K296 HydrophobicContact CD1-CB 4.36Å; L282-K296 HydrophobicContact CD1-CD 4.03Å; L282-L297 WeakPolarHBondContact CA-O 3.33Å; L282-Q298 HydrophobicContact CD2-CB 3.76Å; L282-Q298 HydrophobicContact CD2-CG 3.94Å
283	V	98.9	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.8	160.2	179.4	0	0	0	0	108	V275 K296 L297 V304 T307	V275-V283 HydrophobicContact CG1-CG1 3.79Å; V283-K296 CarbonylContact O-C 3.57Å; V283-K296 WeakPolarHBondContact O-CA 3.21Å; V283-L297 HydrophobicContact CB-CB 3.92Å; V283-L297 HydrophobicContact CB-CD1 3.97Å; V283-L297 HydrophobicContact CB-CG 3.95Å; V283-L297 HydrophobicContact CG1-CD1 4.01Å; V283-L297 HydrophobicContact CG1-CG 4.3Å; V283-L297 HydrophobicContact CG2-CB 4.49Å; V283-L297 PolarHBondContact N-O 3.4Å; V283-L297 VanDerWaalsContact N-O 3.08Å; V283-L297 PolarHBondContact O-N 3.03Å; V283-V304 HydrophobicContact CG2-CG1 4.01Å; V283-T307 HydrophobicContact CG1-CG2 4.12Å; V283-T307 HydrophobicContact CG2-CG2 4.16Å
284	Y	98.9	Very high	98.6	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.3	176.5	-79	-109	0	0	0	111	G254 H255 V275 S276 D280 L282 W286 I293 K296	G254-Y284 WeakPolarHBondContact O-CE1 3.47Å; G254-Y284 VanDerWaalsContact O-CZ 3.29Å; G254-Y284 PolarHBondContact O-OH 2.89Å; G254-Y284 VanDerWaalsContact O-OH 3.11Å; H255-Y284 HydrophobicContact CB-CD1 4.08Å; H255-Y284 HydrophobicContact CB-CD2 3.68Å; H255-Y284 HydrophobicContact CB-CE1 4.19Å; H255-Y284 HydrophobicContact CB-CE2 3.81Å; H255-Y284 HydrophobicContact CB-CG 3.85Å; V275-Y284 WeakPolarHBondContact CA-O 3.27Å; S276-Y284 PolarHBondContact N-O 3.09Å; S276-Y284 PolarHBondContact O-N 2.77Å; D280-Y284 WeakPolarHBondContact OD1-CE2 3.45Å; D280-Y284 WeakPolarHBondContact OD2-CE2 3.02Å; D280-Y284 PolarHBondContact OD2-OH 3.01Å; L282-Y284 HydrophobicContact CB-CD2 4.09Å; L282-Y284 HydrophobicContact CB-CE2 3.74Å; L282-Y284 HydrophobicContact CD1-CE2 4.19Å; Y284-W286 HydrophobicContact CD1-CH2 4.05Å; Y284-W286 AromaticContact CD1-CZ2 3.68Å; Y284-W286 HydrophobicContact CD1-CZ2 3.68Å; Y284-W286 AromaticContact CG-CH2 3.7Å; Y284-W286 HydrophobicContact CG-CH2 3.7Å; Y284-W286 AromaticContact CG-CZ2 3.86Å; Y284-W286 HydrophobicContact CG-CZ2 3.86Å; Y284-W286 HydrophobicContact CG-CZ3 4.33Å; Y284-W286 WeakPolarHBondContact O-CZ3 3.42Å; Y284-I293 HydrophobicContact CD1-CD1 3.95Å; Y284-I293 HydrophobicContact CD1-CG1 4.24Å; Y284-I293 HydrophobicContact CD1-CG2 4.28Å; Y284-I293 HydrophobicContact CE1-CD1 3.89Å; Y284-K296 HydrophobicContact CD1-CD 4.27Å; Y284-K296 HydrophobicContact CD1-CG 4.1Å; Y284-K296 HydrophobicContact CE1-CD 3.65Å; Y284-K296 HydrophobicContact CE1-CG 4Å; Y284-K296 PolarHBondContact OH-NZ 3.36Å
285	I	98.9	Very high	98.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.5	176.2	-50.4	-176.4	0	0	0	108.4	P33 Y35 W273 I274 V275 V294 Q295 L297 I316	P33-I285 HydrophobicContact CG-CG2 4.17Å; Y35-I285 HydrophobicContact CD2-CD1 3.36Å; Y35-I285 HydrophobicContact CE2-CD1 3.86Å; Y35-I285 HydrophobicContact CG-CD1 4.1Å; W273-I285 HydrophobicContact CB-CG2 3.66Å; W273-I285 HydrophobicContact CD2-CG2 4.37Å; W273-I285 HydrophobicContact CG-CG2 3.9Å; I274-I285 CarbonylContact O-C 3.55Å; I274-I285 WeakPolarHBondContact O-CA 3.41Å; V275-I285 HydrophobicContact CG2-CG1 4.36Å; V275-I285 HydrophobicContact CG2-CG2 4.32Å; I285-V294 HydrophobicContact CB-CG2 4.13Å; I285-V294 HydrophobicContact CG2-CG2 3.71Å; I285-V294 WeakPolarHBondContact O-CG2 3.4Å; I285-V294 PolarHBondContact O-N 2.93Å; I285-Q295 HydrophobicContact CB-CB 4.23Å; I285-Q295 HydrophobicContact CD1-CB 4.25Å; I285-Q295 HydrophobicContact CG1-CB 4.47Å; I285-Q295 PolarHBondContact N-O 2.77Å; I285-Q295 PolarHBondContact O-N 2.92Å; I285-L297 HydrophobicContact CD1-CD1 4.26Å; I285-L297 HydrophobicContact CD1-CD2 4.28Å; I285-L297 HydrophobicContact CD1-CG 4.37Å; I285-I316 HydrophobicContact CD1-CD1 3.72Å; I285-I316 HydrophobicContact CG1-CD1 4.45Å
286	W	98.9	Very high	98.6	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147	177.4	-61.9	-102.1	0	0	0	111.7	L238 Y252 T253 H255 W273 I274 Y284 L288 K291 E292 I293	L238-W286 HydrophobicContact CD1-CH2 4.19Å; L238-W286 HydrophobicContact CD1-CZ3 4.09Å; Y252-W286 HydrophobicContact CD1-CB 3.73Å; Y252-W286 HydrophobicContact CD1-CG 4.02Å; Y252-W286 HydrophobicContact CE1-CB 4.35Å; Y252-W286 HydrophobicContact CG-CG 4.46Å; T253-W286 PolarHBondContact O-NE1 3.13Å; H255-W286 HydrophobicContact CB-CH2 3.78Å; H255-W286 HydrophobicContact CB-CZ2 3.87Å; H255-W286 AromaticContact CG-CH2 3.74Å; H255-W286 AromaticContact CG-CZ2 3.94Å; H255-W286 AromaticContact ND1-CH2 3.57Å; H255-W286 AromaticContact ND1-CZ2 3.51Å; W273-W286 CarbonylContact C-O 3.52Å; W273-W286 WeakPolarHBondContact CA-O 3.22Å; I274-W286 HydrophobicContact CB-CB 4.4Å; I274-W286 HydrophobicContact CB-CE3 4.42Å; I274-W286 HydrophobicContact CG2-CE3 4.16Å; I274-W286 PolarHBondContact N-O 3.45Å; I274-W286 PolarHBondContact O-N 2.96Å; Y284-W286 HydrophobicContact CD1-CH2 4.05Å; Y284-W286 AromaticContact CD1-CZ2 3.68Å; Y284-W286 HydrophobicContact CD1-CZ2 3.68Å; Y284-W286 AromaticContact CG-CH2 3.7Å; Y284-W286 HydrophobicContact CG-CH2 3.7Å; Y284-W286 AromaticContact CG-CZ2 3.86Å; Y284-W286 HydrophobicContact CG-CZ2 3.86Å; Y284-W286 HydrophobicContact CG-CZ3 4.33Å; Y284-W286 WeakPolarHBondContact O-CZ3 3.42Å; W286-L288 PolarHBondContact O-N 3.41Å; W286-K291 VanDerWaalsContact CD1-O 3.32Å; W286-E292 CarbonylContact C-O 3.56Å; W286-E292 VanDerWaalsContact CA-O 3.24Å; W286-E292 WeakPolarHBondContact CA-O 3.37Å; W286-I293 VanDerWaalsContact CD1-CG1 3.46Å; W286-I293 HydrophobicContact CG-CG1 4.33Å
287	N	98.4	Very high	98.6	Very high	19 Å²	19	40.8 Å²	40.8	10%	0.102	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	123.2	163.1	-174.1	-63.5	0	0	0	110.3	W273 Q289 T290 K291 E292 V294	W273-N287 HydrophobicContact CE3-CB 4.26Å; W273-N287 HydrophobicContact CZ3-CB 3.87Å; N287-Q289 VanDerWaalsContact C-N 3.26Å; N287-Q289 PolarHBondContact O-N 3.1Å; N287-Q289 WeakPolarHBondContact OD1-CA 3.19Å; N287-Q289 PolarHBondContact OD1-N 3.04Å; N287-T290 WeakPolarHBondContact CB-OG1 3.34Å; N287-T290 VanDerWaalsContact CG-OG1 3.32Å; N287-T290 PolarHBondContact OD1-N 3.31Å; N287-K291 VanDerWaalsContact O-CA 3.24Å; N287-K291 WeakPolarHBondContact O-CA 3.21Å; N287-K291 PolarHBondContact O-N 2.88Å; N287-E292 PolarHBondContact N-O 2.84Å; N287-V294 HydrophobicContact CB-CG1 3.91Å
288	L	98.1	Very high	98.6	Very high	34 Å²	34	48.6 Å²	48.6	18%	0.178	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-38.3	-177.8	-178.9	100.4	0	0	0	112.2	L240 Y252 F266 K272 I274 W286	L240-L288 HydrophobicContact CD2-CD1 4.42Å; Y252-L288 PolarHBondContact OH-O 2.99Å; F266-L288 HydrophobicContact CD1-CD1 3.85Å; F266-L288 HydrophobicContact CE1-CD1 3.84Å; K272-L288 HydrophobicContact CB-CB 4.19Å; K272-L288 HydrophobicContact CB-CD2 4.31Å; K272-L288 VanDerWaalsContact O-CB 3.24Å; K272-L288 WeakPolarHBondContact O-CB 3.28Å; K272-L288 PolarHBondContact O-N 2.86Å; I274-L288 HydrophobicContact CD1-CD1 3.51Å; I274-L288 HydrophobicContact CG1-CD1 3.94Å; W286-L288 PolarHBondContact O-N 3.41Å
289	Q	97.1	Very high	98.6	Very high	104 Å²	104	50 Å²	50	49%	0.486	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-50	-174.1	-74.5	77.7	-1.2	0	0	112.8	K250 N287	K250-Q289 PolarHBondContact NZ-O 2.64Å; N287-Q289 VanDerWaalsContact C-N 3.26Å; N287-Q289 PolarHBondContact O-N 3.1Å; N287-Q289 WeakPolarHBondContact OD1-CA 3.19Å; N287-Q289 PolarHBondContact OD1-N 3.04Å
290	T	97.8	Very high	98.6	Very high	66 Å²	66	49 Å²	49	41%	0.405	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-21.6	-175.8	72.4	0	0	0	0	112.4	N287 E292	N287-T290 WeakPolarHBondContact CB-OG1 3.34Å; N287-T290 VanDerWaalsContact CG-OG1 3.32Å; N287-T290 PolarHBondContact OD1-N 3.31Å; T290-E292 PolarHBondContact O-N 2.99Å; T290-E292 PolarHBondContact OG1-N 3.26Å
291	K	98.5	Very high	98.6	Very high	101 Å²	101	50.6 Å²	50.6	44%	0.439	26%	0.259	S	S	.	.			trans	69.2	6.3	-176.8	-43.1	157.3	-71.6	168.4	0	113.8	K250 T251 Y252 W286 N287	K250-K291 HydrophobicContact CB-CD 4.44Å; K250-K291 HydrophobicContact CB-CG 4.29Å; K250-K291 HydrophobicContact CD-CD 4.02Å; K250-K291 HydrophobicContact CD-CG 3.99Å; T251-K291 WeakPolarHBondContact O-CD 3.29Å; Y252-K291 HydrophobicContact CD1-CB 3.93Å; Y252-K291 HydrophobicContact CD1-CG 4.27Å; Y252-K291 HydrophobicContact CE1-CB 4.1Å; Y252-K291 HydrophobicContact CE1-CG 4.04Å; W286-K291 VanDerWaalsContact CD1-O 3.32Å; N287-K291 VanDerWaalsContact O-CA 3.24Å; N287-K291 WeakPolarHBondContact O-CA 3.21Å; N287-K291 PolarHBondContact O-N 2.88Å
292	E	98.3	Very high	98.5	Very high	124 Å²	124	49.2 Å²	49.2	58%	0.579	25%	0.251	S	S	*	.			trans	-74	140.8	178.2	-65.5	177.3	159.9	0	0	110.5	W286 N287 T290 V294	W286-E292 CarbonylContact C-O 3.56Å; W286-E292 VanDerWaalsContact CA-O 3.24Å; W286-E292 WeakPolarHBondContact CA-O 3.37Å; N287-E292 PolarHBondContact N-O 2.84Å; T290-E292 PolarHBondContact O-N 2.99Å; T290-E292 PolarHBondContact OG1-N 3.26Å; E292-V294 PolarHBondContact O-N 2.86Å
293	I	98.7	Very high	98.5	Very high	59 Å²	59	48.2 Å²	48.2	30%	0.303	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	116	167.4	-61.9	164.7	0	0	0	107.3	Y284 W286 K296	Y284-I293 HydrophobicContact CD1-CD1 3.95Å; Y284-I293 HydrophobicContact CD1-CG1 4.24Å; Y284-I293 HydrophobicContact CD1-CG2 4.28Å; Y284-I293 HydrophobicContact CE1-CD1 3.89Å; W286-I293 VanDerWaalsContact CD1-CG1 3.46Å; W286-I293 HydrophobicContact CG-CG1 4.33Å; I293-K296 HydrophobicContact CG2-CG 3.84Å
294	V	98.4	Very high	98.5	Very high	19 Å²	19	48.2 Å²	48.2	12%	0.115	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-24.7	179.1	-65.6	0	0	0	0	112.3	K32 P33 W273 I285 N287 E292	K32-V294 HydrophobicContact CG-CB 4.28Å; K32-V294 HydrophobicContact CG-CG1 4.44Å; P33-V294 HydrophobicContact CG-CG2 3.84Å; W273-V294 HydrophobicContact CD2-CG2 4.45Å; W273-V294 HydrophobicContact CE3-CG2 3.85Å; W273-V294 HydrophobicContact CZ3-CB 4.49Å; W273-V294 HydrophobicContact CZ3-CG1 4Å; W273-V294 HydrophobicContact CZ3-CG2 3.96Å; I285-V294 HydrophobicContact CB-CG2 4.13Å; I285-V294 HydrophobicContact CG2-CG2 3.71Å; I285-V294 WeakPolarHBondContact O-CG2 3.4Å; I285-V294 PolarHBondContact O-N 2.93Å; N287-V294 HydrophobicContact CB-CG1 3.91Å; E292-V294 PolarHBondContact O-N 2.86Å
295	Q	98.6	Very high	98.5	Very high	40 Å²	40	48.7 Å²	48.7	19%	0.187	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	148.3	176.6	-153.5	179.1	-2.8	0	0	111.3	P33 Y35 I285 L297	P33-Q295 HydrophobicContact CG-CB 4.49Å; P33-Q295 PolarHBondContact O-OE1 2.97Å; P33-Q295 VanDerWaalsContact O-OE1 3.12Å; Y35-Q295 VanDerWaalsContact N-NE2 3.2Å; Y35-Q295 PolarHBondContact O-NE2 3.08Å; I285-Q295 HydrophobicContact CB-CB 4.23Å; I285-Q295 HydrophobicContact CD1-CB 4.25Å; I285-Q295 HydrophobicContact CG1-CB 4.47Å; I285-Q295 PolarHBondContact N-O 2.77Å; I285-Q295 PolarHBondContact O-N 2.92Å; Q295-L297 VanDerWaalsContact CD-CD2 3.47Å; Q295-L297 HydrophobicContact CG-CD2 3.81Å
296	K	98.8	Very high	98.5	Very high	102 Å²	102	48.7 Å²	48.7	44%	0.443	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.4	166.1	-57.4	-171.7	-174.3	-161.1	0	108.4	L282 V283 Y284 I293	L282-K296 HydrophobicContact CD1-CB 4.36Å; L282-K296 HydrophobicContact CD1-CD 4.03Å; V283-K296 CarbonylContact O-C 3.57Å; V283-K296 WeakPolarHBondContact O-CA 3.21Å; Y284-K296 HydrophobicContact CD1-CD 4.27Å; Y284-K296 HydrophobicContact CD1-CG 4.1Å; Y284-K296 HydrophobicContact CE1-CD 3.65Å; Y284-K296 HydrophobicContact CE1-CG 4Å; Y284-K296 PolarHBondContact OH-NZ 3.36Å; I293-K296 HydrophobicContact CG2-CG 3.84Å
297	L	98.8	Very high	98.6	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.037	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.7	-179.9	-39	-178.4	0	0	0	109.1	L282 V283 I285 Q295 W330	L282-L297 WeakPolarHBondContact CA-O 3.33Å; V283-L297 HydrophobicContact CB-CB 3.92Å; V283-L297 HydrophobicContact CB-CD1 3.97Å; V283-L297 HydrophobicContact CB-CG 3.95Å; V283-L297 HydrophobicContact CG1-CD1 4.01Å; V283-L297 HydrophobicContact CG1-CG 4.3Å; V283-L297 HydrophobicContact CG2-CB 4.49Å; V283-L297 PolarHBondContact N-O 3.4Å; V283-L297 VanDerWaalsContact N-O 3.08Å; V283-L297 PolarHBondContact O-N 3.03Å; I285-L297 HydrophobicContact CD1-CD1 4.26Å; I285-L297 HydrophobicContact CD1-CD2 4.28Å; I285-L297 HydrophobicContact CD1-CG 4.37Å; Q295-L297 VanDerWaalsContact CD-CD2 3.47Å; Q295-L297 HydrophobicContact CG-CD2 3.81Å; L297-W330 HydrophobicContact CB-CD2 4.22Å; L297-W330 HydrophobicContact CB-CE3 3.92Å; L297-W330 HydrophobicContact CB-CH2 3.94Å; L297-W330 HydrophobicContact CB-CZ2 4.2Å; L297-W330 HydrophobicContact CB-CZ3 3.78Å; L297-W330 HydrophobicContact CD1-CB 4.07Å; L297-W330 HydrophobicContact CD1-CD2 3.62Å; L297-W330 HydrophobicContact CD1-CE3 3.9Å; L297-W330 HydrophobicContact CD1-CG 3.68Å; L297-W330 HydrophobicContact CG-CE3 4.39Å
298	Q	98.7	Very high	98.6	Very high	164 Å²	164	48 Å²	48	77%	0.766	25%	0.246	S	C	*	.			trans	-104.6	139.5	179	-174.4	176.6	-1.5	0	0	110.1	L282 W330	L282-Q298 HydrophobicContact CD2-CB 3.76Å; L282-Q298 HydrophobicContact CD2-CG 3.94Å; Q298-W330 WeakPolarHBondContact O-CH2 3.44Å
299	G	98.4	Very high	98.6	Very high	29 Å²	29	47.5 Å²	47.5	30%	0.299	25%	0.245	S	C	.	.			trans	160.1	-16.9	171.1	0	0	0	0	0	115.2	K328	G299-K328 VanDerWaalsContact C-CE 3.44Å; G299-K328 WeakPolarHBondContact O-CE 3.37Å; G299-K328 PolarHBondContact O-NZ 3.34Å; G299-K328 VanDerWaalsContact O-NZ 3.16Å
300	H	98.8	Very high	98.7	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.06	22%	0.223	C	C	.	.			trans	-79.9	153.6	170.7	-77.8	-68.6	0	0	0	111.4	V304 S318 A320 D324 T326	H300-V304 HydrophobicContact CB-CG2 3.87Å; H300-S318 PolarHBondContact CD2-OG 2.78Å; H300-S318 PolarHBondContact NE2-O 2.69Å; H300-S318 PolarHBondContact NE2-OG 3.43Å; H300-A320 HydrophobicContact CB-CB 4.14Å; H300-A320 WeakPolarHBondContact ND1-CB 3.12Å; H300-D324 WeakPolarHBondContact CA-OD2 3.42Å; H300-D324 WeakPolarHBondContact CB-OD2 3.32Å; H300-D324 IonicContact CE1-OD1 2.88Å; H300-D324 IonicContact CG-OD2 2.87Å; H300-D324 IonicContact ND1-OD1 3.48Å; H300-D324 PolarHBondContact ND1-OD1 2.58Å; H300-D324 IonicContact ND1-OD2 3.97Å; H300-D324 PolarHBondContact ND1-OD2 2.95Å; H300-T326 PolarHBondContact CE1-O 2.82Å
301	T	98.8	Very high	98.7	Very high	94 Å²	94	42.2 Å²	42.2	58%	0.577	22%	0.221	S	C	*	.	S	Bend	trans	-111.3	4.6	-178.9	58.4	0	0	0	0	113.5	D324	T301-D324 PolarHBondContact N-OD2 3.35Å; T301-D324 WeakPolarHBondContact OG1-CB 3.28Å; T301-D324 PolarHBondContact OG1-OD2 2.78Å
302	D	98.8	Very high	98.7	Very high	22 Å²	22	41.6 Å²	41.6	12%	0.118	23%	0.225	C	C	.	.	S	Bend	trans	-147.6	174.2	174.1	-154.3	-16.6	0	0	0	109.2	N281 V304 L321 E322 N323 D324	N281-D302 WeakPolarHBondContact CA-O 3.37Å; N281-D302 WeakPolarHBondContact CB-O 3.37Å; N281-D302 VanDerWaalsContact CG-C 3.42Å; N281-D302 WeakPolarHBondContact OD1-CA 3.34Å; N281-D302 PolarHBondContact OD1-O 3.04Å; D302-V304 PolarHBondContact O-N 3.35Å; D302-L321 HydrophobicContact CB-CB 4.39Å; D302-E322 PolarHBondContact OD2-N 2.83Å; D302-N323 HydrophobicContact CB-CB 4.03Å; D302-N323 VanDerWaalsContact OD2-CB 3.24Å; D302-N323 WeakPolarHBondContact OD2-CB 3.36Å; D302-N323 PolarHBondContact OD2-N 3.39Å; D302-N323 PolarHBondContact OD2-ND2 3.24Å; D302-D324 HydrophobicContact CB-CB 3.81Å
303	V	98.9	Very high	98.7	Very high	10 Å²	10	39.4 Å²	39.4	6%	0.061	22%	0.215	C	C	.	.			trans	-47.9	127.4	179.8	174.9	0	0	0	0	110.3	Y260 I262 E279 N281 I305 A320 L321	Y260-V303 HydrophobicContact CD2-CG1 3.88Å; Y260-V303 HydrophobicContact CD2-CG2 4.21Å; Y260-V303 HydrophobicContact CE2-CB 4.44Å; Y260-V303 HydrophobicContact CE2-CG1 4.28Å; Y260-V303 HydrophobicContact CE2-CG2 3.79Å; Y260-V303 HydrophobicContact CG-CG1 4.42Å; I262-V303 HydrophobicContact CD1-CG1 4.26Å; E279-V303 HydrophobicContact CB-CG1 4.47Å; E279-V303 HydrophobicContact CB-CG2 4.23Å; E279-V303 HydrophobicContact CG-CG1 4.08Å; E279-V303 HydrophobicContact CG-CG2 4.44Å; N281-V303 PolarHBondContact OD1-N 2.8Å; N281-V303 VanDerWaalsContact OD1-N 3.14Å; V303-I305 PolarHBondContact O-N 2.84Å; V303-I305 VanDerWaalsContact O-N 3.14Å; V303-A320 WeakPolarHBondContact O-CA 3.38Å; V303-A320 WeakPolarHBondContact O-CB 3.37Å; V303-L321 HydrophobicContact CB-CD1 3.67Å; V303-L321 HydrophobicContact CB-CG 3.96Å; V303-L321 HydrophobicContact CG1-CD1 4.07Å; V303-L321 HydrophobicContact CG1-CG 4.4Å; V303-L321 HydrophobicContact CG2-CD1 4.14Å; V303-L321 PolarHBondContact O-N 3.33Å; V303-L321 VanDerWaalsContact O-N 3.11Å
304	V	98.9	Very high	98.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	95.5	173.1	-176.8	0	0	0	0	107.8	G277 S278 N281 V283 H300 D302 T307 A319	G277-V304 VanDerWaalsContact CA-O 3.3Å; G277-V304 WeakPolarHBondContact CA-O 3.43Å; S278-V304 PolarHBondContact N-O 2.85Å; S278-V304 PolarHBondContact O-N 2.96Å; N281-V304 WeakPolarHBondContact O-CG2 3.45Å; V283-V304 HydrophobicContact CG2-CG1 4.01Å; H300-V304 HydrophobicContact CB-CG2 3.87Å; D302-V304 PolarHBondContact O-N 3.35Å; V304-T307 HydrophobicContact CG1-CG2 4.01Å; V304-A319 CarbonylContact C-O 3.43Å; V304-A319 WeakPolarHBondContact CA-O 3.14Å
305	I	98.9	Very high	98.7	Very high	15 Å²	15	37.2 Å²	37.2	8%	0.077	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-31.2	-174.3	-172.7	62	0	0	0	112.8	V48 Y260 I262 F263 V303 A319 L321	V48-I305 WeakPolarHBondContact O-CG2 3.48Å; Y260-I305 HydrophobicContact CD1-CD1 4.42Å; Y260-I305 HydrophobicContact CG-CD1 4.26Å; I262-I305 WeakPolarHBondContact CA-O 3.32Å; I262-I305 HydrophobicContact CG1-CD1 4.25Å; F263-I305 PolarHBondContact N-O 3.5Å; F263-I305 VanDerWaalsContact N-O 3.17Å; V303-I305 PolarHBondContact O-N 2.84Å; V303-I305 VanDerWaalsContact O-N 3.14Å; I305-A319 PolarHBondContact N-O 3.5Å; I305-L321 HydrophobicContact CB-CD2 3.71Å; I305-L321 HydrophobicContact CB-CG 4.17Å; I305-L321 HydrophobicContact CG1-CD2 4.01Å; I305-L321 HydrophobicContact CG2-CD2 3.8Å; I305-L321 HydrophobicContact CG2-CG 4.47Å
306	S	98.9	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140.3	-174.5	-167.3	0	0	0	0	111.5	V51 F263 S318 A319	V51-S306 PolarHBondContact N-OG 2.73Å; V51-S306 VanDerWaalsContact N-OG 3.14Å; F263-S306 WeakPolarHBondContact CD2-OG 3.25Å; S306-S318 CarbonylContact O-C 3.56Å; S306-S318 VanDerWaalsContact O-CA 3.32Å; S306-S318 WeakPolarHBondContact O-CA 3.45Å; S306-A319 PolarHBondContact N-O 3.06Å; S306-A319 PolarHBondContact O-N 3.48Å
307	T	98.9	Very high	98.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.3	168.1	59.9	0	0	0	0	109.3	F263 N265 V275 V283 V304 A317	F263-T307 PolarHBondContact O-OG1 2.76Å; N265-T307 PolarHBondContact ND2-O 2.85Å; N265-T307 PolarHBondContact ND2-OG1 2.63Å; V275-T307 HydrophobicContact CG1-CG2 4.46Å; V283-T307 HydrophobicContact CG1-CG2 4.12Å; V283-T307 HydrophobicContact CG2-CG2 4.16Å; V304-T307 HydrophobicContact CG1-CG2 4.01Å; T307-A317 CarbonylContact C-O 3.55Å; T307-A317 WeakPolarHBondContact CA-O 3.47Å
308	A	98.9	Very high	98.8	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.033	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	145.2	171	0	0	0	0	0	110.1	V51 F53 I316 A317	V51-A308 HydrophobicContact CG2-CB 4.3Å; V51-A308 WeakPolarHBondContact O-CB 3.35Å; F53-A308 HydrophobicContact CD2-CB 3.91Å; F53-A308 HydrophobicContact CE2-CB 4.21Å; A308-I316 CarbonylContact O-C 3.56Å; A308-I316 WeakPolarHBondContact O-CA 3.36Å; A308-A317 PolarHBondContact N-O 3.17Å; A308-A317 PolarHBondContact O-N 3.05Å
309	C	98.9	Very high	98.8	Very high	25 Å²	25	22.3 Å²	22.3	17%	0.169	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.3	172.9	-57.3	0	0	0	0	109.3	F53	F53-C309 VanDerWaalsContact CD2-C 3.5Å
310	H	98.9	Very high	98.8	Very high	4 Å²	4	21 Å²	21	2%	0.019	12%	0.121	C	C	.	.			trans	-64	144.1	177.4	-170	-87.8	0	0	0	111.2	F53 G57 Y75 T269 T312 E313 I315	F53-H310 AromaticContact CD1-CD2 3.64Å; F53-H310 HydrophobicContact CD2-CB 4.16Å; F53-H310 AromaticContact CE1-CD2 3.81Å; F53-H310 HydrophobicContact CE2-CB 4.12Å; F53-H310 HydrophobicContact CG-CB 4.41Å; F53-H310 HydrophobicContact CZ-CB 4.34Å; G57-H310 VanDerWaalsContact CA-NE2 3.32Å; G57-H310 WeakPolarHBondContact CA-NE2 3.47Å; G57-H310 PolarHBondContact O-NE2 3.35Å; Y75-H310 AromaticContact CE1-CE1 4Å; Y75-H310 AromaticContact CE1-NE2 3.89Å; Y75-H310 AromaticContact CZ-CE1 3.92Å; Y75-H310 AromaticContact CZ-NE2 3.74Å; Y75-H310 PolarHBondContact OH-CE1 3.11Å; T269-H310 WeakPolarHBondContact CG2-O 3.34Å; H310-T312 VanDerWaalsContact C-N 3.3Å; H310-T312 PolarHBondContact CE1-OG1 3.24Å; H310-T312 PolarHBondContact ND1-N 2.99Å; H310-T312 PolarHBondContact ND1-OG1 3.24Å; H310-T312 PolarHBondContact O-N 2.8Å; H310-E313 HydrophobicContact CB-CB 4.37Å; H310-E313 WeakPolarHBondContact ND1-CB 3.38Å; H310-E313 PolarHBondContact ND1-N 2.81Å; H310-I315 HydrophobicContact CB-CB 3.77Å; H310-I315 WeakPolarHBondContact CB-O 3.34Å; H310-I315 PolarHBondContact N-O 2.96Å
311	P	98.4	Very high	98.8	Very high	55 Å²	55	21.5 Å²	21.5	36%	0.357	12%	0.124	S	C	.	.	S	Bend	trans	-65.3	-30.4	-174.3	24.3	-35.9	0	0	0	114.1	T269	T269-P311 WeakPolarHBondContact CG2-O 3.16Å
312	T	98.3	Very high	98.8	Very high	87 Å²	87	20.8 Å²	20.8	53%	0.534	11%	0.114	S	C	.	.	S	Bend	trans	-127.7	-14.6	-171.8	56.4	0	0	0	0	115	H310	H310-T312 VanDerWaalsContact C-N 3.3Å; H310-T312 PolarHBondContact CE1-OG1 3.24Å; H310-T312 PolarHBondContact ND1-N 2.99Å; H310-T312 PolarHBondContact ND1-OG1 3.24Å; H310-T312 PolarHBondContact O-N 2.8Å
313	E	98.5	Very high	98.7	Very high	78 Å²	78	25.8 Å²	25.8	36%	0.364	14%	0.141	S	C	.	.	S	Bend	trans	-120	161.7	-173.2	-64.6	-64.5	136.7	0	0	110.2	Y75 T269 H310 I315	Y75-E313 HydrophobicContact CE1-CG 3.96Å; T269-E313 PolarHBondContact OG1-O 3.45Å; H310-E313 HydrophobicContact CB-CB 4.37Å; H310-E313 WeakPolarHBondContact ND1-CB 3.38Å; H310-E313 PolarHBondContact ND1-N 2.81Å; E313-I315 HydrophobicContact CB-CD1 3.87Å; E313-I315 HydrophobicContact CB-CG1 3.92Å; E313-I315 HydrophobicContact CG-CD1 4.37Å; E313-I315 PolarHBondContact O-N 2.55Å
314	N	98.5	Very high	98.7	Very high	25 Å²	25	26.1 Å²	26.1	13%	0.134	14%	0.143	C	C	.	.	S	Bend	trans	-80.8	61.4	172.3	-65.5	-30.1	0	0	0	110.4	Y35 T269 G270 K331 S332 C334	Y35-N314 VanDerWaalsContact CE1-O 3.23Å; Y35-N314 WeakPolarHBondContact CE1-O 3.47Å; T269-N314 PolarHBondContact OG1-OD1 3.28Å; G270-N314 WeakPolarHBondContact CA-OD1 3.34Å; G270-N314 PolarHBondContact N-OD1 3.45Å; N314-K331 WeakPolarHBondContact O-CA 3.48Å; N314-S332 WeakPolarHBondContact CB-O 3.47Å; N314-S332 PolarHBondContact O-N 3.23Å; N314-C334 WeakPolarHBondContact ND2-CA 3.39Å; N314-C334 PolarHBondContact ND2-O 3.28Å; N314-C334 PolarHBondContact ND2-OXT 3.27Å
315	I	98.8	Very high	98.7	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.041	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.3	178.3	-58.5	169.4	0	0	0	109.4	F53 Y75 H310 E313 L329 W330 K331	F53-I315 HydrophobicContact CE1-CG2 4.43Å; F53-I315 HydrophobicContact CZ-CG2 3.79Å; Y75-I315 HydrophobicContact CD1-CD1 4.1Å; Y75-I315 HydrophobicContact CE1-CD1 4.43Å; H310-I315 HydrophobicContact CB-CB 3.77Å; H310-I315 WeakPolarHBondContact CB-O 3.34Å; H310-I315 PolarHBondContact N-O 2.96Å; E313-I315 HydrophobicContact CB-CD1 3.87Å; E313-I315 HydrophobicContact CB-CG1 3.92Å; E313-I315 HydrophobicContact CG-CD1 4.37Å; E313-I315 PolarHBondContact O-N 2.55Å; I315-L329 HydrophobicContact CG2-CD2 4.35Å; I315-W330 CarbonylContact C-O 3.55Å; I315-W330 VanDerWaalsContact CA-O 3.25Å; I315-W330 WeakPolarHBondContact CA-O 3.45Å; I315-K331 HydrophobicContact CG1-CB 4.47Å; I315-K331 HydrophobicContact CG1-CD 4.43Å; I315-K331 HydrophobicContact CG1-CG 4.15Å
316	I	98.9	Very high	98.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.7	170.9	-68.7	167.2	0	0	0	108.2	Y35 V275 I285 A308 L329 W330	Y35-I316 HydrophobicContact CD1-CB 4.35Å; Y35-I316 HydrophobicContact CD1-CD1 3.83Å; Y35-I316 HydrophobicContact CD1-CG1 4.1Å; Y35-I316 HydrophobicContact CD2-CD1 3.92Å; Y35-I316 HydrophobicContact CE1-CB 4.16Å; Y35-I316 HydrophobicContact CE1-CD1 3.55Å; Y35-I316 HydrophobicContact CE1-CG1 3.56Å; Y35-I316 HydrophobicContact CE2-CD1 3.67Å; Y35-I316 HydrophobicContact CE2-CG1 4.48Å; Y35-I316 HydrophobicContact CG-CD1 4.01Å; Y35-I316 VanDerWaalsContact CZ-CD1 3.47Å; V275-I316 HydrophobicContact CG1-CD1 3.97Å; V275-I316 HydrophobicContact CG1-CG2 4.34Å; V275-I316 HydrophobicContact CG2-CD1 3.94Å; I285-I316 HydrophobicContact CD1-CD1 3.72Å; I285-I316 HydrophobicContact CG1-CD1 4.45Å; A308-I316 CarbonylContact O-C 3.56Å; A308-I316 WeakPolarHBondContact O-CA 3.36Å; I316-L329 WeakPolarHBondContact O-CA 3.35Å; I316-W330 HydrophobicContact CB-CB 4.36Å; I316-W330 PolarHBondContact N-O 3.31Å; I316-W330 VanDerWaalsContact O-CD1 3.31Å; I316-W330 PolarHBondContact O-N 2.58Å
317	A	98.9	Very high	98.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.8	161.4	0	0	0	0	0	108.7	V51 F53 L60 T307 A308 K328 L329	V51-A317 HydrophobicContact CG2-CB 4.17Å; F53-A317 HydrophobicContact CE2-CB 3.73Å; F53-A317 HydrophobicContact CZ-CB 3.71Å; L60-A317 HydrophobicContact CD1-CB 3.74Å; L60-A317 HydrophobicContact CD2-CB 3.8Å; L60-A317 HydrophobicContact CG-CB 4.46Å; T307-A317 CarbonylContact C-O 3.55Å; T307-A317 WeakPolarHBondContact CA-O 3.47Å; A308-A317 PolarHBondContact N-O 3.17Å; A308-A317 PolarHBondContact O-N 3.05Å; A317-K328 CarbonylContact C-O 3.57Å; A317-K328 WeakPolarHBondContact CA-O 3.45Å; A317-L329 HydrophobicContact CB-CD2 3.77Å
318	S	98.9	Very high	98.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.2	170.5	63.5	0	0	0	0	110.6	H300 S306 I327 K328 W330	H300-S318 PolarHBondContact CD2-OG 2.78Å; H300-S318 PolarHBondContact NE2-O 2.69Å; H300-S318 PolarHBondContact NE2-OG 3.43Å; S306-S318 CarbonylContact O-C 3.56Å; S306-S318 VanDerWaalsContact O-CA 3.32Å; S306-S318 WeakPolarHBondContact O-CA 3.45Å; S318-I327 CarbonylContact O-C 3.52Å; S318-I327 WeakPolarHBondContact O-CA 3.24Å; S318-I327 WeakPolarHBondContact O-CG2 3.27Å; S318-K328 PolarHBondContact N-O 2.92Å; S318-K328 PolarHBondContact O-N 3.41Å; S318-W330 PolarHBondContact OG-NE1 3.12Å
319	A	98.9	Very high	98.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	147.4	-178.9	0	0	0	0	0	111.2	V48 V51 V304 I305 S306 I327	V48-A319 HydrophobicContact CB-CB 3.9Å; V48-A319 HydrophobicContact CG1-CB 3.55Å; V51-A319 HydrophobicContact CG1-CB 3.67Å; V51-A319 HydrophobicContact CG2-CB 4.22Å; V304-A319 CarbonylContact C-O 3.43Å; V304-A319 WeakPolarHBondContact CA-O 3.14Å; I305-A319 PolarHBondContact N-O 3.5Å; S306-A319 PolarHBondContact N-O 3.06Å; S306-A319 PolarHBondContact O-N 3.48Å; A319-I327 HydrophobicContact CB-CG1 3.93Å
320	A	98.9	Very high	98.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	165	-172.9	0	0	0	0	0	114	V48 H300 V303 D324 T326	V48-A320 PolarHBondContact N-O 3.29Å; H300-A320 HydrophobicContact CB-CB 4.14Å; H300-A320 WeakPolarHBondContact ND1-CB 3.12Å; V303-A320 WeakPolarHBondContact O-CA 3.38Å; V303-A320 WeakPolarHBondContact O-CB 3.37Å; A320-D324 HydrophobicContact CB-CB 3.59Å; A320-T326 PolarHBondContact N-O 3.28Å
321	L	98.8	Very high	98.7	Very high	24 Å²	24	34.1 Å²	34.1	13%	0.126	18%	0.175	C	C	.	.			trans	-74.4	-166.9	-175.5	-63.6	-172.7	0	0	0	113.6	A47 Y260 D302 V303 I305 N323 D324 K325	A47-L321 HydrophobicContact CB-CB 4.4Å; A47-L321 HydrophobicContact CB-CD2 4.12Å; Y260-L321 HydrophobicContact CD1-CD1 3.98Å; Y260-L321 HydrophobicContact CD2-CD1 4.42Å; Y260-L321 HydrophobicContact CE1-CD1 3.55Å; Y260-L321 HydrophobicContact CE2-CD1 4.01Å; Y260-L321 HydrophobicContact CG-CD1 4.39Å; D302-L321 HydrophobicContact CB-CB 4.39Å; V303-L321 HydrophobicContact CB-CD1 3.67Å; V303-L321 HydrophobicContact CB-CG 3.96Å; V303-L321 HydrophobicContact CG1-CD1 4.07Å; V303-L321 HydrophobicContact CG1-CG 4.4Å; V303-L321 HydrophobicContact CG2-CD1 4.14Å; V303-L321 PolarHBondContact O-N 3.33Å; V303-L321 VanDerWaalsContact O-N 3.11Å; I305-L321 HydrophobicContact CB-CD2 3.71Å; I305-L321 HydrophobicContact CB-CG 4.17Å; I305-L321 HydrophobicContact CG1-CD2 4.01Å; I305-L321 HydrophobicContact CG2-CD2 3.8Å; I305-L321 HydrophobicContact CG2-CG 4.47Å; L321-N323 VanDerWaalsContact C-N 3.33Å; L321-N323 PolarHBondContact O-N 2.91Å; L321-D324 PolarHBondContact O-N 2.91Å; L321-K325 PolarHBondContact O-N 2.94Å
322	E	98	Very high	98.7	Very high	79 Å²	79	31.6 Å²	31.6	37%	0.369	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.9	-161.3	-170	62.8	-140.4	0	0	115.4	K46 A47 D302 D324 K325	K46-E322 VanDerWaalsContact CA-OE2 3.26Å; K46-E322 WeakPolarHBondContact CA-OE2 3.34Å; K46-E322 VanDerWaalsContact CB-OE2 3.31Å; K46-E322 WeakPolarHBondContact CB-OE2 3.33Å; A47-E322 HydrophobicContact CB-CB 4.22Å; A47-E322 PolarHBondContact N-OE2 3.22Å; D302-E322 PolarHBondContact OD2-N 2.83Å; E322-D324 VanDerWaalsContact C-N 3.31Å; E322-K325 VanDerWaalsContact O-CD 3.25Å; E322-K325 WeakPolarHBondContact O-CD 3.2Å; E322-K325 WeakPolarHBondContact O-CE 3.24Å; E322-K325 WeakPolarHBondContact O-CG 3.41Å; E322-K325 PolarHBondContact O-NZ 3.18Å
323	N	98.2	Very high	98.4	Very high	128 Å²	128	33.9 Å²	33.9	68%	0.684	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.9	178.8	-57.6	-58.3	0	0	0	113	D302 L321	D302-N323 HydrophobicContact CB-CB 4.03Å; D302-N323 VanDerWaalsContact OD2-CB 3.24Å; D302-N323 WeakPolarHBondContact OD2-CB 3.36Å; D302-N323 PolarHBondContact OD2-N 3.39Å; D302-N323 PolarHBondContact OD2-ND2 3.24Å; L321-N323 VanDerWaalsContact C-N 3.33Å; L321-N323 PolarHBondContact O-N 2.91Å
324	D	98.7	Very high	97.6	Very high	17 Å²	17	32.5 Å²	32.5	9%	0.091	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-57.3	178.6	-177.4	-60.6	0	0	0	111.3	H300 T301 D302 A320 L321 E322 T326	H300-D324 WeakPolarHBondContact CA-OD2 3.42Å; H300-D324 WeakPolarHBondContact CB-OD2 3.32Å; H300-D324 IonicContact CE1-OD1 2.88Å; H300-D324 IonicContact CG-OD2 2.87Å; H300-D324 IonicContact ND1-OD1 3.48Å; H300-D324 PolarHBondContact ND1-OD1 2.58Å; H300-D324 IonicContact ND1-OD2 3.97Å; H300-D324 PolarHBondContact ND1-OD2 2.95Å; T301-D324 PolarHBondContact N-OD2 3.35Å; T301-D324 WeakPolarHBondContact OG1-CB 3.28Å; T301-D324 PolarHBondContact OG1-OD2 2.78Å; D302-D324 HydrophobicContact CB-CB 3.81Å; A320-D324 HydrophobicContact CB-CB 3.59Å; L321-D324 PolarHBondContact O-N 2.91Å; E322-D324 VanDerWaalsContact C-N 3.31Å; D324-T326 WeakPolarHBondContact O-CG2 3.24Å; D324-T326 PolarHBondContact O-N 2.68Å; D324-T326 WeakPolarHBondContact OD1-CA 3.47Å; D324-T326 VanDerWaalsContact OD1-CB 3.25Å; D324-T326 WeakPolarHBondContact OD1-CB 3.32Å; D324-T326 PolarHBondContact OD1-N 3.1Å; D324-T326 PolarHBondContact OD1-OG1 2.9Å
325	K	98.7	Very high	97.6	Very high	72 Å²	72	32.9 Å²	32.9	31%	0.313	17%	0.168	S	C	.	.			trans	61.4	5.9	178.5	-58	171.5	-81.2	-153.6	0	115.5	V48 L321 E322	V48-K325 WeakPolarHBondContact CG2-O 3.13Å; L321-K325 PolarHBondContact O-N 2.94Å; E322-K325 VanDerWaalsContact O-CD 3.25Å; E322-K325 WeakPolarHBondContact O-CD 3.2Å; E322-K325 WeakPolarHBondContact O-CE 3.24Å; E322-K325 WeakPolarHBondContact O-CG 3.41Å; E322-K325 PolarHBondContact O-NZ 3.18Å
326	T	98.9	Very high	97.5	Very high	24 Å²	24	34.2 Å²	34.2	15%	0.147	18%	0.175	C	C	.	.			trans	-99	162.1	179.8	75.7	0	0	0	0	112	T40 L41 H300 A320 D324	T40-T326 HydrophobicContact CG2-CG2 3.94Å; L41-T326 WeakPolarHBondContact O-CA 3.38Å; H300-T326 PolarHBondContact CE1-O 2.82Å; A320-T326 PolarHBondContact N-O 3.28Å; D324-T326 WeakPolarHBondContact O-CG2 3.24Å; D324-T326 PolarHBondContact O-N 2.68Å; D324-T326 WeakPolarHBondContact OD1-CA 3.47Å; D324-T326 VanDerWaalsContact OD1-CB 3.25Å; D324-T326 WeakPolarHBondContact OD1-CB 3.32Å; D324-T326 PolarHBondContact OD1-N 3.1Å; D324-T326 PolarHBondContact OD1-OG1 2.9Å
327	I	98.9	Very high	97.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.9	168	-61	154	0	0	0	107.1	T40 L41 V48 V51 L60 S62 W72 S318 A319	T40-I327 CarbonylContact C-O 3.6Å; T40-I327 WeakPolarHBondContact CA-O 3.25Å; L41-I327 HydrophobicContact CB-CB 4.01Å; L41-I327 HydrophobicContact CD2-CG2 4.29Å; L41-I327 PolarHBondContact N-O 2.95Å; L41-I327 PolarHBondContact O-N 2.85Å; V48-I327 HydrophobicContact CG1-CD1 4.26Å; V48-I327 HydrophobicContact CG1-CG1 4.08Å; V48-I327 HydrophobicContact CG2-CG1 4.22Å; V51-I327 HydrophobicContact CG1-CD1 4.02Å; V51-I327 HydrophobicContact CG1-CG1 3.91Å; V51-I327 HydrophobicContact CG1-CG2 4.08Å; L60-I327 HydrophobicContact CD2-CG2 3.8Å; S62-I327 WeakPolarHBondContact OG-CD1 3.44Å; W72-I327 HydrophobicContact CZ2-CD1 4.29Å; S318-I327 CarbonylContact O-C 3.52Å; S318-I327 WeakPolarHBondContact O-CA 3.24Å; S318-I327 WeakPolarHBondContact O-CG2 3.27Å; A319-I327 HydrophobicContact CB-CG1 3.93Å
328	K	98.9	Very high	97.3	Very high	19 Å²	19	38.2 Å²	38.2	8%	0.083	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.4	177.3	-70.5	175.2	-167.2	-82	0	110.5	L37 F39 T40 G299 A317 S318 W330	L37-K328 HydrophobicContact CD1-CB 3.67Å; L37-K328 HydrophobicContact CD1-CD 4.06Å; L37-K328 HydrophobicContact CD1-CG 3.85Å; F39-K328 WeakPolarHBondContact O-CA 3.49Å; T40-K328 HydrophobicContact CG2-CG 4.42Å; T40-K328 PolarHBondContact OG1-NZ 2.93Å; G299-K328 VanDerWaalsContact C-CE 3.44Å; G299-K328 WeakPolarHBondContact O-CE 3.37Å; G299-K328 PolarHBondContact O-NZ 3.34Å; G299-K328 VanDerWaalsContact O-NZ 3.16Å; A317-K328 CarbonylContact C-O 3.57Å; A317-K328 WeakPolarHBondContact CA-O 3.45Å; S318-K328 PolarHBondContact N-O 2.92Å; S318-K328 PolarHBondContact O-N 3.41Å; K328-W330 HydrophobicContact CB-CZ2 3.72Å; K328-W330 HydrophobicContact CD-CH2 4.1Å; K328-W330 HydrophobicContact CD-CZ2 3.66Å; K328-W330 HydrophobicContact CG-CZ2 4.32Å; K328-W330 PolarHBondContact O-NE1 2.88Å
329	L	98.9	Very high	97.2	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.9	172.8	-68.7	179.3	0	0	0	109.6	K38 F39 L41 F53 L60 I315 I316 A317	K38-L329 PolarHBondContact N-O 3.34Å; F39-L329 HydrophobicContact CB-CB 4.17Å; F39-L329 HydrophobicContact CB-CD1 4.35Å; F39-L329 HydrophobicContact CD2-CB 4.08Å; F39-L329 HydrophobicContact CD2-CD1 3.96Å; F39-L329 PolarHBondContact N-O 2.8Å; F39-L329 PolarHBondContact O-N 3.37Å; L41-L329 HydrophobicContact CD1-CD1 3.96Å; L41-L329 HydrophobicContact CD1-CG 3.97Å; L41-L329 HydrophobicContact CD2-CD1 4.39Å; F53-L329 HydrophobicContact CE1-CD2 4.34Å; F53-L329 HydrophobicContact CZ-CD2 3.97Å; L60-L329 HydrophobicContact CD2-CD2 4.02Å; I315-L329 HydrophobicContact CG2-CD2 4.35Å; I316-L329 WeakPolarHBondContact O-CA 3.35Å; A317-L329 HydrophobicContact CB-CD2 3.77Å
330	W	98.9	Very high	97.1	Very high	8 Å²	8	43.3 Å²	43.3	3%	0.03	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.4	-178.7	-42.4	81.6	0	0	0	108.9	Y35 A36 L37 L297 Q298 I315 I316 S318 K328	Y35-W330 HydrophobicContact CD1-CB 3.98Å; A36-W330 CarbonylContact O-C 3.57Å; A36-W330 VanDerWaalsContact O-CA 3.29Å; A36-W330 WeakPolarHBondContact O-CA 3.48Å; L37-W330 HydrophobicContact CB-CE3 3.84Å; L37-W330 HydrophobicContact CB-CH2 4.48Å; L37-W330 HydrophobicContact CB-CZ3 3.74Å; L37-W330 HydrophobicContact CD1-CD2 4.34Å; L37-W330 HydrophobicContact CD1-CE3 4.28Å; L37-W330 HydrophobicContact CD1-CH2 4.3Å; L37-W330 HydrophobicContact CD1-CZ2 4.38Å; L37-W330 HydrophobicContact CD1-CZ3 4.26Å; L297-W330 HydrophobicContact CB-CD2 4.22Å; L297-W330 HydrophobicContact CB-CE3 3.92Å; L297-W330 HydrophobicContact CB-CH2 3.94Å; L297-W330 HydrophobicContact CB-CZ2 4.2Å; L297-W330 HydrophobicContact CB-CZ3 3.78Å; L297-W330 HydrophobicContact CD1-CB 4.07Å; L297-W330 HydrophobicContact CD1-CD2 3.62Å; L297-W330 HydrophobicContact CD1-CE3 3.9Å; L297-W330 HydrophobicContact CD1-CG 3.68Å; L297-W330 HydrophobicContact CG-CE3 4.39Å; Q298-W330 WeakPolarHBondContact O-CH2 3.44Å; I315-W330 CarbonylContact C-O 3.55Å; I315-W330 VanDerWaalsContact CA-O 3.25Å; I315-W330 WeakPolarHBondContact CA-O 3.45Å; I316-W330 HydrophobicContact CB-CB 4.36Å; I316-W330 PolarHBondContact N-O 3.31Å; I316-W330 VanDerWaalsContact O-CD1 3.31Å; I316-W330 PolarHBondContact O-N 2.58Å; S318-W330 PolarHBondContact OG-NE1 3.12Å; K328-W330 HydrophobicContact CB-CZ2 3.72Å; K328-W330 HydrophobicContact CD-CH2 4.1Å; K328-W330 HydrophobicContact CD-CZ2 3.66Å; K328-W330 HydrophobicContact CG-CZ2 4.32Å; K328-W330 PolarHBondContact O-NE1 2.88Å
331	K	98.6	Very high	97	Very high	88 Å²	88	46.4 Å²	46.4	38%	0.383	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.4	176.9	-170.9	172.5	-178.5	173.9	0	110.8	Y35 A36 K38 N314 I315	Y35-K331 WeakPolarHBondContact CA-O 3.21Å; A36-K331 PolarHBondContact N-O 2.91Å; A36-K331 PolarHBondContact O-N 3.27Å; K38-K331 HydrophobicContact CG-CB 3.75Å; N314-K331 WeakPolarHBondContact O-CA 3.48Å; I315-K331 HydrophobicContact CG1-CB 4.47Å; I315-K331 HydrophobicContact CG1-CD 4.43Å; I315-K331 HydrophobicContact CG1-CG 4.15Å
332	S	97.6	Very high	96.8	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.014	25%	0.246	C	C	.	.			trans	-112.4	151.6	172.6	179.9	0	0	0	0	109.4	N34 N314 C334	N34-S332 PolarHBondContact N-OG 2.88Å; N34-S332 VanDerWaalsContact N-OG 3.07Å; N34-S332 PolarHBondContact OD1-OG 3.04Å; N314-S332 WeakPolarHBondContact CB-O 3.47Å; N314-S332 PolarHBondContact O-N 3.23Å; S332-C334 VanDerWaalsContact C-N 3.33Å; S332-C334 WeakPolarHBondContact CB-O 3.5Å; S332-C334 PolarHBondContact OG-N 3.06Å; S332-C334 PolarHBondContact OG-O 2.85Å
333	D	93.6	Very high	96.7	Very high	136 Å²	136	45.6 Å²	45.6	73%	0.727	24%	0.235	S	C	*	.			trans	-82	-18.5	174.9	-57.2	-43.9	0	0	0	111.4	N34	N34-D333 PolarHBondContact ND2-OD2 3.44Å; N34-D333 PolarHBondContact OD1-N 3.16Å
334	C	80.9	Confident	96.6	Very high	49 Å²	49	38.1 Å²	38.1	33%	0.331	20%	0.195	S	C	.	.			trans	-139	0	-179.5	64.7	0	0	0	0	114	G270 G271 N314 S332	G270-C334 WeakPolarHBondContact CA-OXT 3.33Å; G271-C334 PolarHBondContact N-OXT 3.35Å; N314-C334 WeakPolarHBondContact ND2-CA 3.39Å; N314-C334 PolarHBondContact ND2-O 3.28Å; N314-C334 PolarHBondContact ND2-OXT 3.27Å; S332-C334 VanDerWaalsContact C-N 3.33Å; S332-C334 WeakPolarHBondContact CB-O 3.5Å; S332-C334 PolarHBondContact OG-N 3.06Å; S332-C334 PolarHBondContact OG-O 2.85Å

Retrieved 334 of 334 residues in 873.9 ms (Link to these results)

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