A0A2K5UK70_MACFA Loading...

WDR5-like beta-propeller domain-containing protein

AlphaFold DB , UniProt , Accession A0A2K5UK70, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene n/a, Length 330 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	40.3	Very low	35.3	Very low	247 Å²	247	145.3 Å²	145.3	100%	1.217	85%	0.845	S	S	*	*				0	116.9	0	-116	168.9	177	0	0	107.4
2	A	36.2	Very low	35.2	Very low	89 Å²	89	149.3 Å²	149.3	74%	0.736	85%	0.85	S	S	*	*			trans	15.5	109.3	159.9	0	0	0	0	0	118.8
3	T	36	Very low	35.2	Very low	131 Å²	131	149.8 Å²	149.8	80%	0.804	85%	0.847	S	S	*	*				75.2	118.9	84.1	55.4	0	0	0	0	117.9
4	K	34.9	Very low	35.2	Very low	176 Å²	176	146.6 Å²	146.6	77%	0.765	85%	0.849	S	S	*	*			trans	73.4	117.7	132.6	-87.3	-171	167.3	-169	0	123.8
5	E	36.5	Very low	35.1	Very low	149 Å²	149	147.3 Å²	147.3	70%	0.696	85%	0.847	S	S	*	*				57.8	121.4	116.2	-73.1	178.8	153.9	0	0	123.4
6	S	36.9	Very low	35.6	Very low	120 Å²	120	145.3 Å²	145.3	84%	0.839	85%	0.845	S	S	*	*			trans	63.1	131.4	132.3	71	0	0	0	0	121.7
7	G	29.6	Very low	35.6	Very low	79 Å²	79	143.4 Å²	143.4	81%	0.814	84%	0.841	S	S	*	*			trans	169.4	114.9	158.5	0	0	0	0	0	114.2
8	D	36.5	Very low	35.7	Very low	172 Å²	172	141.6 Å²	141.6	92%	0.92	84%	0.838	S	S	*	*			trans	-43.4	146.7	173.8	-81	-53.3	0	0	0	117
9	A	33.2	Very low	35.7	Very low	93 Å²	93	138.9 Å²	138.9	77%	0.769	83%	0.833	S	S	*	*			trans	-166.7	116.1	137.7	0	0	0	0	0	114.3
10	R	34.7	Very low	35.8	Very low	243 Å²	243	137.4 Å²	137.4	92%	0.917	83%	0.829	S	S	*	*			trans	61	97.4	141.9	-70	179.6	170.2	175	-2.9	119.7
11	A	33.7	Very low	35.9	Very low	99 Å²	99	139.7 Å²	139.7	82%	0.818	83%	0.831	S	S	*	*			trans	-118.6	105.9	143.3	0	0	0	0	0	108.8	L13	A11-L13 PolarHBondContact O-N 3.33Å
12	Q	34.2	Very low	35.9	Very low	193 Å²	193	132.8 Å²	132.8	90%	0.902	81%	0.807	S	S	*	*			trans	-84.4	103.2	178.9	-141.2	170.8	1.5	0	0	108.2
13	L	35	Very low	36.3	Very low	156 Å²	156	138.2 Å²	138.2	82%	0.817	81%	0.814	S	S	*	*			trans	-71.6	121.1	170.3	-85.4	152.2	0	0	0	109.2	A11 L15	A11-L13 PolarHBondContact O-N 3.33Å; L13-L15 PolarHBondContact O-N 3.09Å; L13-L15 VanDerWaalsContact O-N 3.16Å
14	A	34.9	Very low	36.8	Very low	105 Å²	105	140.5 Å²	140.5	87%	0.868	82%	0.816	S	S	*	*			trans	-68.9	103.5	168.6	0	0	0	0	0	109.2
15	L	34.5	Very low	37.7	Very low	157 Å²	157	138.1 Å²	138.1	82%	0.822	82%	0.816	S	S	*	*			trans	-97.6	115.1	165.2	-94.2	147.2	0	0	0	108.3	L13 S17	L13-L15 PolarHBondContact O-N 3.09Å; L13-L15 VanDerWaalsContact O-N 3.16Å; L15-S17 PolarHBondContact O-N 2.81Å
16	S	43.1	Very low	38.7	Very low	116 Å²	116	135.3 Å²	135.3	81%	0.811	81%	0.811	S	S	*	*			trans	-51.9	110.7	171.4	51.3	0	0	0	0	111.7
17	S	34.3	Very low	40.7	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	80%	0.804	S	S	*	*			trans	-94	99.8	157.6	52.3	0	0	0	0	108.2	L15 A19	L15-S17 PolarHBondContact O-N 2.81Å; S17-A19 PolarHBondContact O-N 3.34Å
18	S	37.5	Very low	43.5	Very low	111 Å²	111	138.2 Å²	138.2	78%	0.776	79%	0.79	S	S	*	*			trans	-58.7	102.5	161.2	51.8	0	0	0	0	107.8	S20	S18-S20 VanDerWaalsContact C-N 3.31Å; S18-S20 PolarHBondContact O-N 2.78Å
19	A	35.6	Very low	46.1	Very low	91 Å²	91	130.6 Å²	130.6	75%	0.752	75%	0.75	S	S	*	*			trans	-63.6	96.2	169.4	0	0	0	0	0	108.1	S17 Q21	S17-A19 PolarHBondContact O-N 3.34Å; A19-Q21 VanDerWaalsContact C-N 3.31Å; A19-Q21 PolarHBondContact O-N 2.77Å
20	S	37.6	Very low	49.1	Very low	108 Å²	108	128.7 Å²	128.7	76%	0.755	73%	0.727	S	S	*	*			trans	-60.8	100.4	159	55.1	0	0	0	0	106.4	S18 S22	S18-S20 VanDerWaalsContact C-N 3.31Å; S18-S20 PolarHBondContact O-N 2.78Å; S20-S22 PolarHBondContact O-N 3.36Å
21	Q	39.5	Very low	52.1	Low	185 Å²	185	117.5 Å²	117.5	86%	0.864	69%	0.685	S	S	*	*			trans	-60	96.1	162.9	-77.1	-179.7	-11	0	0	106.6	A19 K23	A19-Q21 VanDerWaalsContact C-N 3.31Å; A19-Q21 PolarHBondContact O-N 2.77Å; Q21-K23 PolarHBondContact O-N 2.96Å
22	S	39.3	Very low	55.1	Low	103 Å²	103	115.5 Å²	115.5	72%	0.72	67%	0.668	S	S	*	*			trans	-59	105.4	165	50.6	0	0	0	0	106.2	S20 E24	S20-S22 PolarHBondContact O-N 3.36Å; S22-E24 PolarHBondContact O-N 2.82Å
23	K	45.9	Very low	58.2	Low	203 Å²	203	110.2 Å²	110.2	88%	0.883	65%	0.646	S	S	*	*			trans	-56.8	107.2	162.9	-80.2	178.8	176.4	174.8	0	105.7	Q21 V25	Q21-K23 PolarHBondContact O-N 2.96Å; K23-V25 PolarHBondContact O-N 3.25Å; K23-V25 VanDerWaalsContact O-N 3.15Å
24	E	45.6	Very low	61.1	Low	178 Å²	178	109 Å²	109	83%	0.832	63%	0.63	S	S	*	*			trans	-50.2	125	169.3	-83.1	-175	142.2	0	0	107.6	S22 P26	S22-E24 PolarHBondContact O-N 2.82Å; E24-P26 VanDerWaalsContact O-CD 3.31Å; E24-P26 WeakPolarHBondContact O-CD 3.47Å; E24-P26 VanDerWaalsContact O-N 3.15Å
25	V	53.1	Low	64.1	Low	127 Å²	127	105.6 Å²	105.6	77%	0.77	60%	0.6	S	S	*	*			trans	-58.9	119.9	171	178.3	0	0	0	0	105.8	K23 K27	K23-V25 PolarHBondContact O-N 3.25Å; K23-V25 VanDerWaalsContact O-N 3.15Å; V25-K27 PolarHBondContact O-N 2.62Å
26	P	57.8	Low	67.1	Low	90 Å²	90	100.9 Å²	100.9	58%	0.584	58%	0.578	S	S	*	*			trans	-59.2	115.4	180	-19	29.8	0	0	0	108.1	E24	E24-P26 VanDerWaalsContact O-CD 3.31Å; E24-P26 WeakPolarHBondContact O-CD 3.47Å; E24-P26 VanDerWaalsContact O-N 3.15Å
27	K	79.1	Confident	69.8	Low	161 Å²	161	95.7 Å²	95.7	70%	0.7	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-64.2	141	174.7	-70.9	179.9	-178.4	173	0	108.5	V25	V25-K27 PolarHBondContact O-N 2.62Å
28	N	87.8	Confident	72.8	Confident	98 Å²	98	95.4 Å²	95.4	52%	0.524	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-57.9	145.5	171.9	-72.8	-13.3	0	0	0	109.6	V290	N28-V290 HydrophobicContact CB-CB 4.46Å
29	P	92.2	Very high	75.7	Confident	12 Å²	12	92.1 Å²	92.1	8%	0.078	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-65.9	159	174.6	31.3	-33.5	0	0	0	110.1	Y31 W269 I281 V290 Q291	P29-Y31 HydrophobicContact CB-CD2 3.73Å; P29-Y31 HydrophobicContact CB-CE2 3.73Å; P29-Y31 HydrophobicContact CG-CD2 4.36Å; P29-Y31 HydrophobicContact CG-CE2 4.42Å; P29-W269 HydrophobicContact CG-CD2 4.46Å; P29-W269 HydrophobicContact CG-CZ2 4.25Å; P29-I281 HydrophobicContact CG-CG2 4.17Å; P29-V290 HydrophobicContact CG-CG2 3.77Å; P29-Q291 HydrophobicContact CG-CB 4.42Å; P29-Q291 PolarHBondContact O-OE1 3.31Å
30	N	95.1	Very high	78.7	Confident	54 Å²	54	88.3 Å²	88.3	29%	0.289	48%	0.484	S	S	.	.			trans	-130.9	46.6	-178.6	66.9	-12.4	0	0	0	111.2	A32 S328 N329 H330	N30-A32 PolarHBondContact O-N 2.74Å; N30-S328 PolarHBondContact N-OG 2.85Å; N30-S328 WeakPolarHBondContact OD1-CA 3.36Å; N30-S328 PolarHBondContact OD1-OG 2.82Å; N30-N329 PolarHBondContact OD1-N 3.44Å; N30-H330 PolarHBondContact ND2-CD2 2.88Å; N30-H330 PolarHBondContact ND2-NE2 2.62Å; N30-H330 PolarHBondContact OD1-CD2 2.82Å
31	Y	97.7	Very high	81.6	Confident	8 Å²	8	87.6 Å²	87.6	3%	0.031	48%	0.475	C	S	.	.			trans	-56.1	123.6	178.3	-75.2	-83	0	0	0	110.6	P29 I281 Q291 N310 I312 W326 I327	P29-Y31 HydrophobicContact CB-CD2 3.73Å; P29-Y31 HydrophobicContact CB-CE2 3.73Å; P29-Y31 HydrophobicContact CG-CD2 4.36Å; P29-Y31 HydrophobicContact CG-CE2 4.42Å; Y31-I281 HydrophobicContact CD2-CD1 3.34Å; Y31-I281 HydrophobicContact CE2-CD1 3.77Å; Y31-I281 HydrophobicContact CG-CD1 4.13Å; Y31-Q291 PolarHBondContact O-NE2 3.27Å; Y31-N310 WeakPolarHBondContact CE1-O 3.31Å; Y31-I312 HydrophobicContact CD1-CB 4.44Å; Y31-I312 HydrophobicContact CD1-CD1 3.84Å; Y31-I312 HydrophobicContact CD1-CG1 4.12Å; Y31-I312 HydrophobicContact CD2-CD1 3.93Å; Y31-I312 HydrophobicContact CE1-CB 4.26Å; Y31-I312 HydrophobicContact CE1-CD1 3.56Å; Y31-I312 HydrophobicContact CE1-CG1 3.59Å; Y31-I312 HydrophobicContact CE2-CD1 3.66Å; Y31-I312 HydrophobicContact CG-CD1 4.02Å; Y31-I312 VanDerWaalsContact CZ-CD1 3.46Å; Y31-W326 HydrophobicContact CD1-CB 4.11Å; Y31-W326 WeakPolarHBondContact CD1-O 3.4Å; Y31-I327 CarbonylContact C-O 3.56Å; Y31-I327 WeakPolarHBondContact CA-O 3.13Å
32	A	97.9	Very high	84.4	Confident	56 Å²	56	82.4 Å²	82.4	46%	0.463	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.5	175.4	0	0	0	0	0	109.9	N30 R34 W326 I327	N30-A32 PolarHBondContact O-N 2.74Å; A32-R34 PolarHBondContact O-N 3.17Å; A32-W326 CarbonylContact O-C 3.59Å; A32-W326 VanDerWaalsContact O-CA 3.26Å; A32-W326 WeakPolarHBondContact O-CA 3.42Å; A32-I327 PolarHBondContact N-O 3.45Å; A32-I327 PolarHBondContact O-N 3.33Å
33	L	98.3	Very high	87.2	Confident	82 Å²	82	78.3 Å²	78.3	43%	0.429	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	121.2	177.1	-178.9	64.6	0	0	0	109.6	C35 K324 W326	L33-C35 WeakPolarHBondContact CD1-O 3.47Å; L33-K324 HydrophobicContact CD1-CB 3.68Å; L33-K324 HydrophobicContact CD1-CD 4.08Å; L33-K324 HydrophobicContact CD1-CG 3.85Å; L33-W326 HydrophobicContact CB-CE3 3.92Å; L33-W326 HydrophobicContact CB-CZ3 3.85Å; L33-W326 HydrophobicContact CD1-CD2 4.41Å; L33-W326 HydrophobicContact CD1-CE3 4.28Å; L33-W326 HydrophobicContact CD1-CH2 4.38Å; L33-W326 HydrophobicContact CD1-CZ3 4.25Å
34	R	96.9	Very high	89.7	Confident	131 Å²	131	68.6 Å²	68.6	49%	0.494	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-51	176.4	-178.7	180	174.4	108.6	-4.5	111	A32 Y71 L325 I327	A32-R34 PolarHBondContact O-N 3.17Å; R34-Y71 PolarHBondContact NE-O 3.08Å; R34-Y71 PolarHBondContact NH2-O 2.77Å; R34-L325 WeakPolarHBondContact CB-O 3.44Å; R34-L325 PolarHBondContact N-O 2.98Å; R34-I327 HydrophobicContact CB-CG2 4.13Å
35	C	96.8	Very high	92.3	Very high	33 Å²	33	61.1 Å²	61.1	22%	0.223	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	160.8	176.4	60.8	0	0	0	0	111.9	L33 L325	L33-C35 WeakPolarHBondContact CD1-O 3.47Å; C35-L325 PolarHBondContact N-O 2.75Å; C35-L325 PolarHBondContact O-N 2.8Å
36	T	98.6	Very high	94.5	Very high	59 Å²	59	55 Å²	55	36%	0.362	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.1	172.4	-60.4	0	0	0	0	108.2	V38 T322 I323 K324	T36-V38 HydrophobicContact CG2-CG2 4.2Å; T36-T322 HydrophobicContact CG2-CG2 3.91Å; T36-I323 CarbonylContact C-O 3.39Å; T36-I323 WeakPolarHBondContact CA-O 3.38Å; T36-K324 HydrophobicContact CG2-CG 4.29Å; T36-K324 PolarHBondContact OG1-NZ 3.5Å
37	L	98.6	Very high	96.4	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.5	-178.2	-63.7	66.9	0	0	0	107.1	L56 W68 I323 L325	L37-L56 HydrophobicContact CD2-CD2 4.29Å; L37-W68 HydrophobicContact CB-CD2 4.35Å; L37-W68 HydrophobicContact CB-CE3 4Å; L37-W68 HydrophobicContact CB-CH2 4.16Å; L37-W68 HydrophobicContact CB-CZ2 4.48Å; L37-W68 HydrophobicContact CB-CZ3 3.91Å; L37-W68 HydrophobicContact CD2-CB 3.73Å; L37-W68 HydrophobicContact CD2-CD2 3.57Å; L37-W68 HydrophobicContact CD2-CE3 3.7Å; L37-W68 HydrophobicContact CD2-CG 3.59Å; L37-W68 HydrophobicContact CD2-CZ3 4.46Å; L37-W68 HydrophobicContact CG-CD2 4.42Å; L37-W68 HydrophobicContact CG-CE3 4.12Å; L37-W68 HydrophobicContact CG-CZ3 4.48Å; L37-I323 HydrophobicContact CB-CB 4.13Å; L37-I323 HydrophobicContact CD2-CG2 4.5Å; L37-I323 PolarHBondContact N-O 3.33Å; L37-I323 PolarHBondContact O-N 3.06Å; L37-L325 HydrophobicContact CD1-CB 4.41Å; L37-L325 HydrophobicContact CD1-CD1 3.91Å; L37-L325 HydrophobicContact CD1-CG 3.71Å; L37-L325 HydrophobicContact CD2-CD1 4.45Å
38	V	98.4	Very high	97.4	Very high	108 Å²	108	44.4 Å²	44.4	66%	0.655	26%	0.256	S	S	*	.			trans	-122.6	131.9	-176.7	-176.9	0	0	0	0	107.6	T36 T322	T36-V38 HydrophobicContact CG2-CG2 4.2Å; V38-T322 HydrophobicContact CG2-CG2 4.02Å
39	G	97.5	Very high	97.9	Very high	41 Å²	41	40.6 Å²	40.6	42%	0.423	24%	0.235	S	C	.	.			trans	176.6	-32.1	178.2	0	0	0	0	0	114.6
40	H	98.6	Very high	98.2	Very high	12 Å²	12	40 Å²	40	6%	0.056	23%	0.231	C	C	.	.			trans	-69.2	143.6	172.1	-75.9	-63.9	0	0	0	111.4	V44 S58 S60 D62	H40-V44 HydrophobicContact CB-CG2 4.01Å; H40-S58 WeakPolarHBondContact NE2-CB 3.25Å; H40-S58 PolarHBondContact NE2-OG 2.75Å; H40-S60 VanDerWaalsContact CE1-CB 3.42Å; H40-S60 WeakPolarHBondContact CE1-CB 3.35Å; H40-S60 WeakPolarHBondContact ND1-CB 3.33Å; H40-D62 WeakPolarHBondContact CA-OD2 3.23Å; H40-D62 WeakPolarHBondContact CB-OD2 3.24Å; H40-D62 IonicContact CE1-OD1 3.27Å; H40-D62 IonicContact CE1-OD2 2.79Å; H40-D62 IonicContact CG-OD2 3.83Å; H40-D62 IonicContact ND1-OD1 2.72Å; H40-D62 PolarHBondContact ND1-OD1 3.19Å; H40-D62 IonicContact ND1-OD2 3.48Å; H40-D62 PolarHBondContact ND1-OD2 3.12Å
41	T	98.5	Very high	98.4	Very high	93 Å²	93	40.2 Å²	40.2	57%	0.571	24%	0.236	S	C	*	.	S	Bend	trans	-98	-12.7	-178.2	57	0	0	0	0	113.6	D62 K321	T41-D62 PolarHBondContact N-OD2 2.83Å; T41-D62 WeakPolarHBondContact OG1-CB 3.48Å; T41-K321 WeakPolarHBondContact O-CD 3.08Å; T41-K321 PolarHBondContact O-NZ 3.27Å
42	E	98.8	Very high	98.4	Very high	75 Å²	75	43.3 Å²	43.3	35%	0.35	25%	0.252	S	S	.	.	S	Bend	trans	-134.3	-178.2	177.2	-60.7	-172.7	177.4	0	0	109.7	V44 S60 A61 D62 E318	E42-V44 PolarHBondContact O-N 2.81Å; E42-S60 PolarHBondContact O-OG 2.83Å; E42-A61 HydrophobicContact CB-CB 3.94Å; E42-A61 WeakPolarHBondContact OE2-CB 3.29Å; E42-D62 HydrophobicContact CB-CB 4.1Å; E42-D62 HydrophobicContact CG-CB 4.18Å; E42-D62 PolarHBondContact OE2-N 3.42Å; E42-E318 WeakPolarHBondContact CA-OE2 3.4Å; E42-E318 WeakPolarHBondContact CB-OE2 3.4Å
43	A	98.8	Very high	98.4	Very high	17 Å²	17	40.6 Å²	40.6	14%	0.14	23%	0.23	C	C	.	.			trans	-47.5	128.7	179.1	0	0	0	0	0	112.5	S60 A61 L317 E318	A43-S60 VanDerWaalsContact O-CA 3.27Å; A43-S60 WeakPolarHBondContact O-CA 3.23Å; A43-S60 VanDerWaalsContact O-CB 3.27Å; A43-S60 WeakPolarHBondContact O-CB 3.39Å; A43-S60 PolarHBondContact O-OG 2.77Å; A43-A61 HydrophobicContact CB-CB 4.49Å; A43-A61 PolarHBondContact O-N 3.43Å; A43-L317 HydrophobicContact CB-CB 4.4Å; A43-L317 HydrophobicContact CB-CD2 4.17Å; A43-E318 HydrophobicContact CB-CB 4.26Å; A43-E318 PolarHBondContact N-OE2 3.35Å
44	V	98.9	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.8	170.2	-172.4	0	0	0	0	107.4	H40 E42 V47 S59 I301 A315 A316 K321 I323	H40-V44 HydrophobicContact CB-CG2 4.01Å; E42-V44 PolarHBondContact O-N 2.81Å; V44-V47 HydrophobicContact CG1-CG1 4.28Å; V44-S59 VanDerWaalsContact CG1-O 3.29Å; V44-S59 WeakPolarHBondContact CG1-O 3.43Å; V44-I301 WeakPolarHBondContact O-CG2 3.41Å; V44-A315 HydrophobicContact CB-CB 3.88Å; V44-A315 HydrophobicContact CG1-CB 3.55Å; V44-A316 PolarHBondContact N-O 2.76Å; V44-K321 WeakPolarHBondContact CG2-O 3.4Å; V44-I323 HydrophobicContact CG1-CD1 4.3Å; V44-I323 HydrophobicContact CG1-CG1 4.11Å; V44-I323 HydrophobicContact CG2-CG1 4.26Å
45	S	98.8	Very high	98.5	Very high	20 Å²	20	38.5 Å²	38.5	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-37.4	-175.1	57.4	0	0	0	0	113.3	S59 I86 S87	S45-S59 PolarHBondContact N-O 3.42Å; S45-S59 VanDerWaalsContact OG-C 3.25Å; S45-S59 PolarHBondContact OG-O 3Å; S45-S59 VanDerWaalsContact OG-O 3.06Å; S45-S59 PolarHBondContact OG-OG 3.45Å; S45-I86 VanDerWaalsContact CB-O 3.24Å; S45-I86 WeakPolarHBondContact CB-O 3.22Å; S45-I86 PolarHBondContact OG-O 2.81Å; S45-S87 WeakPolarHBondContact CB-O 3.17Å; S45-S87 PolarHBondContact OG-O 2.75Å
46	S	98.8	Very high	98.6	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	143.1	-175.1	-169.8	0	0	0	0	111.3	K48 S58 S59 D88	S46-K48 VanDerWaalsContact OG-CE 3.29Å; S46-K48 WeakPolarHBondContact OG-CE 3.41Å; S46-K48 PolarHBondContact OG-NZ 3.31Å; S46-S58 CarbonylContact O-C 3.6Å; S46-S58 VanDerWaalsContact O-CA 3.26Å; S46-S58 WeakPolarHBondContact O-CA 3.16Å; S46-S59 WeakPolarHBondContact CB-OG 3.03Å; S46-S59 PolarHBondContact N-OG 3.17Å; S46-S59 PolarHBondContact O-N 3.48Å; S46-D88 WeakPolarHBondContact CB-OD1 3.3Å; S46-D88 PolarHBondContact OG-OD1 3.39Å
47	V	98.9	Very high	98.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.3	169.4	-70.7	0	0	0	0	110.4	V44 L56 A57 S302 A304 A313 A315 I323	V44-V47 HydrophobicContact CG1-CG1 4.28Å; V47-L56 HydrophobicContact CB-CD1 4.22Å; V47-A57 CarbonylContact C-O 3.59Å; V47-A57 VanDerWaalsContact CA-O 3.3Å; V47-A57 WeakPolarHBondContact CA-O 3.47Å; V47-S302 PolarHBondContact N-OG 2.65Å; V47-S302 VanDerWaalsContact N-OG 3.13Å; V47-A304 HydrophobicContact CG2-CB 4.29Å; V47-A304 WeakPolarHBondContact O-CB 3.34Å; V47-A313 HydrophobicContact CG2-CB 4.15Å; V47-A315 HydrophobicContact CG1-CB 3.65Å; V47-A315 HydrophobicContact CG2-CB 4.21Å; V47-I323 HydrophobicContact CG1-CD1 3.99Å; V47-I323 HydrophobicContact CG1-CG1 3.94Å; V47-I323 HydrophobicContact CG1-CG2 4.06Å
48	K	98.9	Very high	98.7	Very high	28 Å²	28	33.9 Å²	33.9	12%	0.122	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	129.4	178	-55.9	-67.8	164.6	59.1	0	111.3	S46 A57 D88 V89 W91	S46-K48 VanDerWaalsContact OG-CE 3.29Å; S46-K48 WeakPolarHBondContact OG-CE 3.41Å; S46-K48 PolarHBondContact OG-NZ 3.31Å; K48-A57 PolarHBondContact N-O 2.59Å; K48-A57 PolarHBondContact O-N 2.96Å; K48-D88 IonicContact NZ-OD1 3.94Å; K48-D88 PolarHBondContact NZ-OD1 2.94Å; K48-D88 IonicContact NZ-OD2 2.81Å; K48-V89 HydrophobicContact CG-CG1 4.29Å; K48-V89 WeakPolarHBondContact CG-O 3.42Å; K48-V89 PolarHBondContact NZ-O 2.82Å; K48-W91 PolarHBondContact O-NE1 2.93Å
49	F	98.9	Very high	98.7	Very high	18 Å²	18	28.7 Å²	28.7	8%	0.079	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	144.1	167.6	-71.9	-73.6	0	0	0	110.7	W55 L56 A70 W91 A304 H306 L311 A313 L325	F49-W55 CarbonylContact C-O 3.5Å; F49-W55 WeakPolarHBondContact CA-O 3.48Å; F49-L56 HydrophobicContact CD1-CB 4.24Å; F49-L56 HydrophobicContact CD1-CD1 3.81Å; F49-L56 HydrophobicContact CD2-CD1 4.18Å; F49-L56 HydrophobicContact CE1-CB 4.23Å; F49-L56 HydrophobicContact CE1-CD1 3.82Å; F49-L56 HydrophobicContact CE2-CD1 4.21Å; F49-L56 HydrophobicContact CG-CD1 4Å; F49-L56 HydrophobicContact CZ-CD1 4.02Å; F49-A70 HydrophobicContact CD1-CB 3.84Å; F49-A70 HydrophobicContact CE1-CB 3.75Å; F49-W91 VanDerWaalsContact O-CD1 3.25Å; F49-A304 HydrophobicContact CD2-CB 3.99Å; F49-A304 HydrophobicContact CE2-CB 4.3Å; F49-H306 HydrophobicContact CD1-CB 4.49Å; F49-H306 AromaticContact CD1-CD2 3.61Å; F49-H306 VanDerWaalsContact CD2-CA 3.49Å; F49-H306 HydrophobicContact CD2-CB 3.97Å; F49-H306 HydrophobicContact CE1-CB 4.47Å; F49-H306 AromaticContact CE1-CD2 3.8Å; F49-H306 HydrophobicContact CE2-CB 3.93Å; F49-H306 HydrophobicContact CG-CB 4.25Å; F49-H306 HydrophobicContact CZ-CB 4.19Å; F49-L311 HydrophobicContact CE1-CD2 3.7Å; F49-L311 HydrophobicContact CE1-CG 4.38Å; F49-L311 HydrophobicContact CZ-CD2 3.62Å; F49-L311 HydrophobicContact CZ-CG 3.79Å; F49-A313 HydrophobicContact CE2-CB 3.73Å; F49-A313 HydrophobicContact CZ-CB 3.73Å; F49-L325 HydrophobicContact CE1-CD2 4.37Å; F49-L325 HydrophobicContact CZ-CD2 3.94Å
50	S	98.8	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.			trans	-66.2	147.2	168.2	59.3	0	0	0	0	110	N52 G53 E54 W55	S50-N52 WeakPolarHBondContact CB-OD1 3.48Å; S50-N52 PolarHBondContact O-N 2.74Å; S50-N52 PolarHBondContact OG-OD1 3.36Å; S50-G53 WeakPolarHBondContact O-CA 3.44Å; S50-G53 PolarHBondContact O-N 3.04Å; S50-E54 PolarHBondContact OG-N 2.78Å; S50-W55 PolarHBondContact N-O 2.99Å; S50-W55 PolarHBondContact OG-N 3.36Å; S50-W55 PolarHBondContact OG-O 3Å
51	P	98.5	Very high	98.8	Very high	58 Å²	58	26.7 Å²	26.7	38%	0.377	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.3	178.6	-31.5	38.3	0	0	0	114.9	G53 W91 S92 S93 S95	P51-G53 PolarHBondContact O-N 2.9Å; P51-W91 HydrophobicContact CG-CB 4.26Å; P51-S92 WeakPolarHBondContact CG-O 3.26Å; P51-S93 WeakPolarHBondContact CB-O 3.46Å; P51-S95 WeakPolarHBondContact CD-OG 3.37Å
52	N	98.3	Very high	98.8	Very high	72 Å²	72	23 Å²	23	39%	0.385	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.4	173.6	74.1	-9.3	0	0	0	113.8	S50 E54 S95	S50-N52 WeakPolarHBondContact CB-OD1 3.48Å; S50-N52 PolarHBondContact O-N 2.74Å; S50-N52 PolarHBondContact OG-OD1 3.36Å; N52-E54 PolarHBondContact ND2-OE2 3.22Å; N52-E54 PolarHBondContact O-N 3.36Å; N52-E54 PolarHBondContact OD1-N 3.04Å; N52-E54 VanDerWaalsContact OD1-N 3.09Å; N52-S95 WeakPolarHBondContact CB-OG 3.42Å; N52-S95 PolarHBondContact N-OG 2.75Å; N52-S95 PolarHBondContact OD1-OG 3.22Å
53	G	98.3	Very high	98.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	75.7	0.5	178.7	0	0	0	0	0	115.4	S50 P51 A70 Y71 H306	S50-G53 WeakPolarHBondContact O-CA 3.44Å; S50-G53 PolarHBondContact O-N 3.04Å; P51-G53 PolarHBondContact O-N 2.9Å; G53-A70 WeakPolarHBondContact O-CB 3.33Å; G53-Y71 WeakPolarHBondContact O-CE2 3.24Å; G53-Y71 PolarHBondContact O-OH 2.93Å; G53-H306 WeakPolarHBondContact CA-NE2 3.33Å; G53-H306 PolarHBondContact O-NE2 3.19Å
54	E	98.5	Very high	98.8	Very high	100 Å²	100	25.9 Å²	25.9	47%	0.467	13%	0.125	S	C	.	.	S	Bend	trans	-79.8	-28	-176.2	-66.3	-179.9	159.1	0	0	113.1	S50 N52 A70	S50-E54 PolarHBondContact OG-N 2.78Å; N52-E54 PolarHBondContact ND2-OE2 3.22Å; N52-E54 PolarHBondContact O-N 3.36Å; N52-E54 PolarHBondContact OD1-N 3.04Å; N52-E54 VanDerWaalsContact OD1-N 3.09Å; E54-A70 WeakPolarHBondContact O-CB 3.33Å; E54-A70 PolarHBondContact O-N 2.88Å
55	W	98.8	Very high	98.8	Very high	69 Å²	69	25.9 Å²	25.9	26%	0.261	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.4	-166.5	-52.8	104.8	0	0	0	112.2	F49 S50 I67 W68 E76 W91	F49-W55 CarbonylContact C-O 3.5Å; F49-W55 WeakPolarHBondContact CA-O 3.48Å; S50-W55 PolarHBondContact N-O 2.99Å; S50-W55 PolarHBondContact OG-N 3.36Å; S50-W55 PolarHBondContact OG-O 3Å; W55-I67 HydrophobicContact CB-CG2 4.17Å; W55-I67 HydrophobicContact CD2-CG2 4.29Å; W55-I67 HydrophobicContact CE3-CG2 3.96Å; W55-I67 HydrophobicContact CG-CG2 4.38Å; W55-W68 CarbonylContact C-O 3.52Å; W55-W68 WeakPolarHBondContact CA-O 3.34Å; W55-E76 HydrophobicContact CE3-CB 4.41Å; W55-E76 HydrophobicContact CE3-CG 4.38Å; W55-E76 HydrophobicContact CH2-CG 4.08Å; W55-E76 HydrophobicContact CZ3-CB 3.89Å; W55-E76 HydrophobicContact CZ3-CG 3.71Å; W55-W91 HydrophobicContact CB-CH2 3.74Å; W55-W91 HydrophobicContact CB-CZ2 3.81Å; W55-W91 HydrophobicContact CG-CH2 4.29Å
56	L	98.9	Very high	98.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.9	164.3	-176.5	73.6	0	0	0	107.7	L37 V47 F49 I67 W68 A313 I323 L325	L37-L56 HydrophobicContact CD2-CD2 4.29Å; V47-L56 HydrophobicContact CB-CD1 4.22Å; F49-L56 HydrophobicContact CD1-CB 4.24Å; F49-L56 HydrophobicContact CD1-CD1 3.81Å; F49-L56 HydrophobicContact CD2-CD1 4.18Å; F49-L56 HydrophobicContact CE1-CB 4.23Å; F49-L56 HydrophobicContact CE1-CD1 3.82Å; F49-L56 HydrophobicContact CE2-CD1 4.21Å; F49-L56 HydrophobicContact CG-CD1 4Å; F49-L56 HydrophobicContact CZ-CD1 4.02Å; L56-I67 CarbonylContact O-C 3.55Å; L56-I67 WeakPolarHBondContact O-CA 3.23Å; L56-W68 HydrophobicContact CB-CB 4.29Å; L56-W68 PolarHBondContact N-O 3.16Å; L56-W68 PolarHBondContact O-N 2.88Å; L56-A313 HydrophobicContact CD1-CB 3.66Å; L56-A313 HydrophobicContact CD2-CB 3.87Å; L56-A313 HydrophobicContact CG-CB 4.45Å; L56-I323 HydrophobicContact CD2-CG2 3.89Å; L56-L325 HydrophobicContact CD2-CD2 4.14Å
57	A	98.9	Very high	98.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	138.9	167.3	0	0	0	0	0	109.3	V47 K48 I65 I66 I67 V89 W91 L98	V47-A57 CarbonylContact C-O 3.59Å; V47-A57 VanDerWaalsContact CA-O 3.3Å; V47-A57 WeakPolarHBondContact CA-O 3.47Å; K48-A57 PolarHBondContact N-O 2.59Å; K48-A57 PolarHBondContact O-N 2.96Å; A57-I65 HydrophobicContact CB-CG2 4.47Å; A57-I66 WeakPolarHBondContact CA-O 3.29Å; A57-I67 HydrophobicContact CB-CD1 3.81Å; A57-V89 HydrophobicContact CB-CG1 4.39Å; A57-V89 HydrophobicContact CB-CG2 4.35Å; A57-W91 HydrophobicContact CB-CZ2 3.65Å; A57-L98 HydrophobicContact CB-CD1 3.87Å; A57-L98 HydrophobicContact CB-CD2 4.11Å
58	S	98.9	Very high	98.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.8	170.2	60.5	0	0	0	0	111.3	H40 S46 I65 I66 W68 I323	H40-S58 WeakPolarHBondContact NE2-CB 3.25Å; H40-S58 PolarHBondContact NE2-OG 2.75Å; S46-S58 CarbonylContact O-C 3.6Å; S46-S58 VanDerWaalsContact O-CA 3.26Å; S46-S58 WeakPolarHBondContact O-CA 3.16Å; S58-I65 CarbonylContact O-C 3.57Å; S58-I65 WeakPolarHBondContact O-CA 3.36Å; S58-I65 WeakPolarHBondContact O-CG2 3.21Å; S58-I66 PolarHBondContact N-O 2.89Å; S58-I66 PolarHBondContact O-N 3.13Å; S58-I66 PolarHBondContact OG-O 3.12Å; S58-W68 PolarHBondContact OG-NE1 2.75Å; S58-I323 WeakPolarHBondContact OG-CD1 3.31Å
59	S	98.9	Very high	98.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	156.8	170.3	57.9	0	0	0	0	111	V44 S45 S46 I86	V44-S59 VanDerWaalsContact CG1-O 3.29Å; V44-S59 WeakPolarHBondContact CG1-O 3.43Å; S45-S59 PolarHBondContact N-O 3.42Å; S45-S59 VanDerWaalsContact OG-C 3.25Å; S45-S59 PolarHBondContact OG-O 3Å; S45-S59 VanDerWaalsContact OG-O 3.06Å; S45-S59 PolarHBondContact OG-OG 3.45Å; S46-S59 WeakPolarHBondContact CB-OG 3.03Å; S46-S59 PolarHBondContact N-OG 3.17Å; S46-S59 PolarHBondContact O-N 3.48Å; S59-I86 VanDerWaalsContact CB-CG2 3.44Å
60	S	98.9	Very high	98.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	163.4	-176.4	170.1	0	0	0	0	112.9	H40 E42 A43 D62 R63 L64 I86	H40-S60 VanDerWaalsContact CE1-CB 3.42Å; H40-S60 WeakPolarHBondContact CE1-CB 3.35Å; H40-S60 WeakPolarHBondContact ND1-CB 3.33Å; E42-S60 PolarHBondContact O-OG 2.83Å; A43-S60 VanDerWaalsContact O-CA 3.27Å; A43-S60 WeakPolarHBondContact O-CA 3.23Å; A43-S60 VanDerWaalsContact O-CB 3.27Å; A43-S60 WeakPolarHBondContact O-CB 3.39Å; A43-S60 PolarHBondContact O-OG 2.77Å; S60-D62 VanDerWaalsContact CB-OD1 3.23Å; S60-D62 WeakPolarHBondContact CB-OD1 3.47Å; S60-D62 PolarHBondContact O-N 2.54Å; S60-D62 VanDerWaalsContact OG-CG 3.26Å; S60-D62 PolarHBondContact OG-N 3.4Å; S60-D62 VanDerWaalsContact OG-N 3.13Å; S60-D62 PolarHBondContact OG-OD1 2.85Å; S60-R63 PolarHBondContact O-N 3.07Å; S60-R63 VanDerWaalsContact O-N 3.17Å; S60-L64 PolarHBondContact N-O 3.08Å; S60-I86 PolarHBondContact O-N 3.29Å; S60-I86 VanDerWaalsContact O-N 3.12Å
61	A	98.8	Very high	98.6	Very high	10 Å²	10	28.5 Å²	28.5	8%	0.083	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24	167.1	0	0	0	0	0	112.9	E42 A43 R63 E85	E42-A61 HydrophobicContact CB-CB 3.94Å; E42-A61 WeakPolarHBondContact OE2-CB 3.29Å; A43-A61 HydrophobicContact CB-CB 4.49Å; A43-A61 PolarHBondContact O-N 3.43Å; A61-R63 WeakPolarHBondContact O-CG 3.32Å; A61-R63 PolarHBondContact O-N 3.3Å; A61-E85 HydrophobicContact CB-CB 4.31Å; A61-E85 HydrophobicContact CB-CG 3.92Å; A61-E85 WeakPolarHBondContact O-CG 3.44Å
62	D	98.8	Very high	98.5	Very high	17 Å²	17	29.4 Å²	29.4	9%	0.091	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	2.4	174.1	71.7	11.8	0	0	0	114.5	H40 T41 E42 S60 L64	H40-D62 WeakPolarHBondContact CA-OD2 3.23Å; H40-D62 WeakPolarHBondContact CB-OD2 3.24Å; H40-D62 IonicContact CE1-OD1 3.27Å; H40-D62 IonicContact CE1-OD2 2.79Å; H40-D62 IonicContact CG-OD2 3.83Å; H40-D62 IonicContact ND1-OD1 2.72Å; H40-D62 PolarHBondContact ND1-OD1 3.19Å; H40-D62 IonicContact ND1-OD2 3.48Å; H40-D62 PolarHBondContact ND1-OD2 3.12Å; T41-D62 PolarHBondContact N-OD2 2.83Å; T41-D62 WeakPolarHBondContact OG1-CB 3.48Å; E42-D62 HydrophobicContact CB-CB 4.1Å; E42-D62 HydrophobicContact CG-CB 4.18Å; E42-D62 PolarHBondContact OE2-N 3.42Å; S60-D62 VanDerWaalsContact CB-OD1 3.23Å; S60-D62 WeakPolarHBondContact CB-OD1 3.47Å; S60-D62 PolarHBondContact O-N 2.54Å; S60-D62 VanDerWaalsContact OG-CG 3.26Å; S60-D62 PolarHBondContact OG-N 3.4Å; S60-D62 VanDerWaalsContact OG-N 3.13Å; S60-D62 PolarHBondContact OG-OD1 2.85Å; D62-L64 PolarHBondContact O-N 2.88Å; D62-L64 WeakPolarHBondContact OD1-CA 3.46Å; D62-L64 WeakPolarHBondContact OD1-CB 3.47Å; D62-L64 WeakPolarHBondContact OD1-CG 3.32Å; D62-L64 PolarHBondContact OD1-N 3.46Å
63	R	98.8	Very high	98.5	Very high	119 Å²	119	26.5 Å²	26.5	45%	0.449	12%	0.123	S	C	.	.	S	Bend	trans	74.2	11.8	175.1	-37.8	175.8	-172.3	171	8.2	113.4	S60 A61 N83 L84 I86	S60-R63 PolarHBondContact O-N 3.07Å; S60-R63 VanDerWaalsContact O-N 3.17Å; A61-R63 WeakPolarHBondContact O-CG 3.32Å; A61-R63 PolarHBondContact O-N 3.3Å; R63-N83 WeakPolarHBondContact CD-O 3.49Å; R63-N83 PolarHBondContact NH1-O 2.96Å; R63-N83 VanDerWaalsContact NH1-O 3.08Å; R63-L84 WeakPolarHBondContact CB-O 3.32Å; R63-L84 WeakPolarHBondContact CG-O 3.13Å; R63-I86 WeakPolarHBondContact O-CD1 3.37Å
64	L	98.8	Very high	98.5	Very high	33 Å²	33	33.1 Å²	33.1	17%	0.173	15%	0.152	C	C	.	.			trans	-105.8	152.1	-177	-51.1	179.5	0	0	0	111.4	S60 D62 T78 Y80	S60-L64 PolarHBondContact N-O 3.08Å; D62-L64 PolarHBondContact O-N 2.88Å; D62-L64 WeakPolarHBondContact OD1-CA 3.46Å; D62-L64 WeakPolarHBondContact OD1-CB 3.47Å; D62-L64 WeakPolarHBondContact OD1-CG 3.32Å; D62-L64 PolarHBondContact OD1-N 3.46Å; L64-T78 HydrophobicContact CB-CG2 3.89Å; L64-T78 HydrophobicContact CD1-CG2 4.02Å; L64-T78 HydrophobicContact CD2-CG2 4.01Å; L64-T78 HydrophobicContact CG-CG2 4.19Å; L64-Y80 HydrophobicContact CD1-CE1 4.34Å; L64-Y80 HydrophobicContact CD2-CD1 3.3Å; L64-Y80 HydrophobicContact CD2-CE1 3.42Å; L64-Y80 VanDerWaalsContact CD2-CE1 3.42Å; L64-Y80 HydrophobicContact CD2-CG 4.25Å
65	I	98.9	Very high	98.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.2	159.5	-57.2	165.7	0	0	0	107.2	A57 S58 I67 T78 L79 I86 V89 L98 W110	A57-I65 HydrophobicContact CB-CG2 4.47Å; S58-I65 CarbonylContact O-C 3.57Å; S58-I65 WeakPolarHBondContact O-CA 3.36Å; S58-I65 WeakPolarHBondContact O-CG2 3.21Å; I65-I67 HydrophobicContact CG2-CD1 4.13Å; I65-T78 CarbonylContact O-C 3.33Å; I65-T78 WeakPolarHBondContact O-CA 3.3Å; I65-L79 HydrophobicContact CB-CB 4.1Å; I65-L79 HydrophobicContact CB-CD1 4.3Å; I65-L79 HydrophobicContact CB-CG 4.31Å; I65-L79 HydrophobicContact CD1-CD1 4.4Å; I65-L79 HydrophobicContact CG2-CD1 4.18Å; I65-L79 HydrophobicContact CG2-CG 4.48Å; I65-L79 PolarHBondContact N-O 3.07Å; I65-L79 PolarHBondContact O-N 3.05Å; I65-I86 HydrophobicContact CD1-CD1 4.32Å; I65-I86 HydrophobicContact CG1-CD1 3.73Å; I65-V89 HydrophobicContact CD1-CG2 4.34Å; I65-V89 HydrophobicContact CG2-CG2 4.35Å; I65-L98 HydrophobicContact CG2-CD1 4.03Å; I65-W110 HydrophobicContact CD1-CZ2 4.35Å
66	I	98.9	Very high	98.4	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.5	174.5	-55.3	177	0	0	0	109.3	A57 S58 W68 Y75 T78	A57-I66 WeakPolarHBondContact CA-O 3.29Å; S58-I66 PolarHBondContact N-O 2.89Å; S58-I66 PolarHBondContact O-N 3.13Å; S58-I66 PolarHBondContact OG-O 3.12Å; I66-W68 HydrophobicContact CB-CZ2 3.75Å; I66-W68 HydrophobicContact CD1-CH2 4.35Å; I66-W68 HydrophobicContact CD1-CZ2 3.92Å; I66-W68 HydrophobicContact CG1-CZ2 4.44Å; I66-W68 HydrophobicContact CG2-CD2 3.83Å; I66-W68 HydrophobicContact CG2-CE3 4.33Å; I66-W68 HydrophobicContact CG2-CG 4.45Å; I66-W68 HydrophobicContact CG2-CH2 3.93Å; I66-W68 HydrophobicContact CG2-CZ2 3.38Å; I66-W68 HydrophobicContact CG2-CZ3 4.37Å; I66-W68 PolarHBondContact O-NE1 3.08Å; I66-Y75 HydrophobicContact CG2-CD2 3.59Å; I66-Y75 HydrophobicContact CG2-CE2 3.8Å; I66-T78 HydrophobicContact CG1-CG2 4.3Å
67	I	98.9	Very high	98.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.1	174.3	-49.1	-57.7	0	0	0	108.8	W55 L56 A57 I65 E76 K77 W91 L98	W55-I67 HydrophobicContact CB-CG2 4.17Å; W55-I67 HydrophobicContact CD2-CG2 4.29Å; W55-I67 HydrophobicContact CE3-CG2 3.96Å; W55-I67 HydrophobicContact CG-CG2 4.38Å; L56-I67 CarbonylContact O-C 3.55Å; L56-I67 WeakPolarHBondContact O-CA 3.23Å; A57-I67 HydrophobicContact CB-CD1 3.81Å; I65-I67 HydrophobicContact CG2-CD1 4.13Å; I67-E76 HydrophobicContact CB-CB 4.31Å; I67-E76 HydrophobicContact CG2-CB 4.24Å; I67-E76 HydrophobicContact CG2-CG 4.48Å; I67-E76 WeakPolarHBondContact O-CB 3.46Å; I67-E76 PolarHBondContact O-N 3.47Å; I67-K77 HydrophobicContact CB-CG 4.01Å; I67-K77 HydrophobicContact CG1-CG 3.91Å; I67-K77 PolarHBondContact N-O 2.94Å; I67-K77 PolarHBondContact O-N 3.02Å; I67-W91 HydrophobicContact CD1-CH2 4.32Å; I67-W91 HydrophobicContact CD1-CZ2 4.28Å; I67-L98 HydrophobicContact CD1-CD1 3.54Å
68	W	98.9	Very high	98.4	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.027	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.8	-178.5	-39.8	82.7	0	0	0	110.2	L37 W55 L56 S58 I66 A70 K74 I323	L37-W68 HydrophobicContact CB-CD2 4.35Å; L37-W68 HydrophobicContact CB-CE3 4Å; L37-W68 HydrophobicContact CB-CH2 4.16Å; L37-W68 HydrophobicContact CB-CZ2 4.48Å; L37-W68 HydrophobicContact CB-CZ3 3.91Å; L37-W68 HydrophobicContact CD2-CB 3.73Å; L37-W68 HydrophobicContact CD2-CD2 3.57Å; L37-W68 HydrophobicContact CD2-CE3 3.7Å; L37-W68 HydrophobicContact CD2-CG 3.59Å; L37-W68 HydrophobicContact CD2-CZ3 4.46Å; L37-W68 HydrophobicContact CG-CD2 4.42Å; L37-W68 HydrophobicContact CG-CE3 4.12Å; L37-W68 HydrophobicContact CG-CZ3 4.48Å; W55-W68 CarbonylContact C-O 3.52Å; W55-W68 WeakPolarHBondContact CA-O 3.34Å; L56-W68 HydrophobicContact CB-CB 4.29Å; L56-W68 PolarHBondContact N-O 3.16Å; L56-W68 PolarHBondContact O-N 2.88Å; S58-W68 PolarHBondContact OG-NE1 2.75Å; I66-W68 HydrophobicContact CB-CZ2 3.75Å; I66-W68 HydrophobicContact CD1-CH2 4.35Å; I66-W68 HydrophobicContact CD1-CZ2 3.92Å; I66-W68 HydrophobicContact CG1-CZ2 4.44Å; I66-W68 HydrophobicContact CG2-CD2 3.83Å; I66-W68 HydrophobicContact CG2-CE3 4.33Å; I66-W68 HydrophobicContact CG2-CG 4.45Å; I66-W68 HydrophobicContact CG2-CH2 3.93Å; I66-W68 HydrophobicContact CG2-CZ2 3.38Å; I66-W68 HydrophobicContact CG2-CZ3 4.37Å; I66-W68 PolarHBondContact O-NE1 3.08Å; W68-A70 PolarHBondContact O-N 2.86Å; W68-K74 CarbonylContact C-O 3.54Å; W68-K74 WeakPolarHBondContact CA-O 3.47Å; W68-I323 HydrophobicContact CZ2-CD1 4.12Å
69	G	98.6	Very high	98.4	Very high	9 Å²	9	39.4 Å²	39.4	9%	0.093	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	126.4	166.6	0	0	0	0	0	110.4	Y71 G73 K74	G69-Y71 VanDerWaalsContact C-N 3.3Å; G69-Y71 PolarHBondContact O-N 3.33Å; G69-G73 WeakPolarHBondContact O-CA 3.38Å; G69-G73 PolarHBondContact O-N 3.37Å; G69-K74 PolarHBondContact N-O 2.9Å
70	A	98.2	Very high	98.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.8	-175.4	0	0	0	0	0	112.9	F49 G53 E54 W68 L311 L325	F49-A70 HydrophobicContact CD1-CB 3.84Å; F49-A70 HydrophobicContact CE1-CB 3.75Å; G53-A70 WeakPolarHBondContact O-CB 3.33Å; E54-A70 WeakPolarHBondContact O-CB 3.33Å; E54-A70 PolarHBondContact O-N 2.88Å; W68-A70 PolarHBondContact O-N 2.86Å; A70-L311 VanDerWaalsContact O-CD2 3.24Å; A70-L311 WeakPolarHBondContact O-CD2 3.36Å; A70-L325 WeakPolarHBondContact O-CD1 3.46Å
71	Y	96.6	Very high	98.3	Very high	97 Å²	97	48.6 Å²	48.6	38%	0.38	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-34.2	-172.5	-56	-73.3	0	0	0	114	R34 G53 G69 H306 E309	R34-Y71 PolarHBondContact NE-O 3.08Å; R34-Y71 PolarHBondContact NH2-O 2.77Å; G53-Y71 WeakPolarHBondContact O-CE2 3.24Å; G53-Y71 PolarHBondContact O-OH 2.93Å; G69-Y71 VanDerWaalsContact C-N 3.3Å; G69-Y71 PolarHBondContact O-N 3.33Å; Y71-H306 AromaticContact CE1-NE2 3.88Å; Y71-H306 AromaticContact CZ-NE2 3.81Å; Y71-E309 HydrophobicContact CE1-CG 3.8Å
72	D	96.1	Very high	98.3	Very high	77 Å²	77	48.7 Å²	48.7	41%	0.412	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-10.4	-176.9	66	0.3	0	0	0	113.3	K74	D72-K74 HydrophobicContact CB-CG 4.29Å; D72-K74 PolarHBondContact O-N 2.96Å; D72-K74 WeakPolarHBondContact OD1-CB 3.44Å; D72-K74 PolarHBondContact OD1-N 3.01Å; D72-K74 WeakPolarHBondContact OD2-CD 3.31Å; D72-K74 WeakPolarHBondContact OD2-CE 3.27Å; D72-K74 WeakPolarHBondContact OD2-CG 3.31Å; D72-K74 IonicContact OD2-NZ 3.21Å; D72-K74 PolarHBondContact OD2-NZ 3.37Å
73	G	97.4	Very high	98.3	Very high	11 Å²	11	53.3 Å²	53.3	11%	0.113	25%	0.252	C	S	.	.			trans	67.9	14.9	-177.9	0	0	0	0	0	113.4	G69	G69-G73 WeakPolarHBondContact O-CA 3.38Å; G69-G73 PolarHBondContact O-N 3.37Å
74	K	98.1	Very high	98.3	Very high	140 Å²	140	51.1 Å²	51.1	61%	0.609	25%	0.248	S	C	*	.			trans	-71.2	138	-179.4	-73.4	-175.4	-164.9	152.5	0	110.8	W68 G69 D72 E76	W68-K74 CarbonylContact C-O 3.54Å; W68-K74 WeakPolarHBondContact CA-O 3.47Å; G69-K74 PolarHBondContact N-O 2.9Å; D72-K74 HydrophobicContact CB-CG 4.29Å; D72-K74 PolarHBondContact O-N 2.96Å; D72-K74 WeakPolarHBondContact OD1-CB 3.44Å; D72-K74 PolarHBondContact OD1-N 3.01Å; D72-K74 WeakPolarHBondContact OD2-CD 3.31Å; D72-K74 WeakPolarHBondContact OD2-CE 3.27Å; D72-K74 WeakPolarHBondContact OD2-CG 3.31Å; D72-K74 IonicContact OD2-NZ 3.21Å; D72-K74 PolarHBondContact OD2-NZ 3.37Å; K74-E76 PolarHBondContact O-N 2.78Å
75	Y	98.6	Very high	98.3	Very high	129 Å²	129	54 Å²	54	51%	0.506	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	130.9	168.2	167.7	-92.6	0	0	0	110.4	I66 K77 T78	I66-Y75 HydrophobicContact CG2-CD2 3.59Å; I66-Y75 HydrophobicContact CG2-CE2 3.8Å; Y75-K77 VanDerWaalsContact CZ-CA 3.46Å; Y75-K77 WeakPolarHBondContact OH-CA 3.5Å; Y75-T78 WeakPolarHBondContact CE2-OG1 3.43Å; Y75-T78 PolarHBondContact OH-N 2.88Å; Y75-T78 PolarHBondContact OH-OG1 2.98Å
76	E	98.3	Very high	98.3	Very high	98 Å²	98	54.1 Å²	54.1	46%	0.458	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-54.4	175.2	179.6	63.7	-160.9	0	0	110.8	W55 I67 K74	W55-E76 HydrophobicContact CE3-CB 4.41Å; W55-E76 HydrophobicContact CE3-CG 4.38Å; W55-E76 HydrophobicContact CH2-CG 4.08Å; W55-E76 HydrophobicContact CZ3-CB 3.89Å; W55-E76 HydrophobicContact CZ3-CG 3.71Å; I67-E76 HydrophobicContact CB-CB 4.31Å; I67-E76 HydrophobicContact CG2-CB 4.24Å; I67-E76 HydrophobicContact CG2-CG 4.48Å; I67-E76 WeakPolarHBondContact O-CB 3.46Å; I67-E76 PolarHBondContact O-N 3.47Å; K74-E76 PolarHBondContact O-N 2.78Å
77	K	98.3	Very high	98.3	Very high	49 Å²	49	54.9 Å²	54.9	21%	0.213	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	164	179.9	62.5	179.9	60.4	175.5	0	113.7	I67 Y75 L79 V112 R113	I67-K77 HydrophobicContact CB-CG 4.01Å; I67-K77 HydrophobicContact CG1-CG 3.91Å; I67-K77 PolarHBondContact N-O 2.94Å; I67-K77 PolarHBondContact O-N 3.02Å; Y75-K77 VanDerWaalsContact CZ-CA 3.46Å; Y75-K77 WeakPolarHBondContact OH-CA 3.5Å; K77-L79 HydrophobicContact CD-CD2 4.11Å; K77-L79 HydrophobicContact CG-CD2 4.45Å; K77-V112 PolarHBondContact NZ-O 2.89Å; K77-V112 VanDerWaalsContact NZ-O 3.1Å; K77-R113 PolarHBondContact NZ-O 3.34Å
78	T	98.7	Very high	98.3	Very high	22 Å²	22	55 Å²	55	14%	0.135	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.1	169.5	-55.1	0	0	0	0	111.2	L64 I65 I66 Y75 Y80	L64-T78 HydrophobicContact CB-CG2 3.89Å; L64-T78 HydrophobicContact CD1-CG2 4.02Å; L64-T78 HydrophobicContact CD2-CG2 4.01Å; L64-T78 HydrophobicContact CG-CG2 4.19Å; I65-T78 CarbonylContact O-C 3.33Å; I65-T78 WeakPolarHBondContact O-CA 3.3Å; I66-T78 HydrophobicContact CG1-CG2 4.3Å; Y75-T78 WeakPolarHBondContact CE2-OG1 3.43Å; Y75-T78 PolarHBondContact OH-N 2.88Å; Y75-T78 PolarHBondContact OH-OG1 2.98Å; T78-Y80 HydrophobicContact CG2-CD1 4.32Å; T78-Y80 HydrophobicContact CG2-CD2 4.07Å; T78-Y80 HydrophobicContact CG2-CE1 3.82Å; T78-Y80 HydrophobicContact CG2-CE2 3.55Å; T78-Y80 HydrophobicContact CG2-CG 4.43Å
79	L	98.6	Very high	98.3	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.3	170.5	-44.4	-177.7	0	0	0	109.5	I65 K77 L98 W110 G115	I65-L79 HydrophobicContact CB-CB 4.1Å; I65-L79 HydrophobicContact CB-CD1 4.3Å; I65-L79 HydrophobicContact CB-CG 4.31Å; I65-L79 HydrophobicContact CD1-CD1 4.4Å; I65-L79 HydrophobicContact CG2-CD1 4.18Å; I65-L79 HydrophobicContact CG2-CG 4.48Å; I65-L79 PolarHBondContact N-O 3.07Å; I65-L79 PolarHBondContact O-N 3.05Å; K77-L79 HydrophobicContact CD-CD2 4.11Å; K77-L79 HydrophobicContact CG-CD2 4.45Å; L79-L98 HydrophobicContact CD1-CD1 4.12Å; L79-W110 HydrophobicContact CB-CE3 4.18Å; L79-W110 HydrophobicContact CB-CZ3 4.33Å; L79-W110 HydrophobicContact CD1-CB 3.99Å; L79-W110 HydrophobicContact CD1-CD2 4.21Å; L79-W110 HydrophobicContact CD1-CE3 4.43Å; L79-W110 HydrophobicContact CD1-CG 4.02Å; L79-G115 VanDerWaalsContact CD2-CA 3.49Å
80	Y	98.4	Very high	98.3	Very high	155 Å²	155	54.5 Å²	54.5	61%	0.608	26%	0.264	S	S	*	.			trans	-111.8	145.1	-178.3	-59.7	-92.7	0	0	0	110.6	L64 T78 W110	L64-Y80 HydrophobicContact CD1-CE1 4.34Å; L64-Y80 HydrophobicContact CD2-CD1 3.3Å; L64-Y80 HydrophobicContact CD2-CE1 3.42Å; L64-Y80 VanDerWaalsContact CD2-CE1 3.42Å; L64-Y80 HydrophobicContact CD2-CG 4.25Å; T78-Y80 HydrophobicContact CG2-CD1 4.32Å; T78-Y80 HydrophobicContact CG2-CD2 4.07Å; T78-Y80 HydrophobicContact CG2-CE1 3.82Å; T78-Y80 HydrophobicContact CG2-CE2 3.55Å; T78-Y80 HydrophobicContact CG2-CG 4.43Å; Y80-W110 WeakPolarHBondContact O-CH2 3.36Å; Y80-W110 VanDerWaalsContact O-CZ3 3.3Å; Y80-W110 WeakPolarHBondContact O-CZ3 3.27Å
81	G	98.3	Very high	98.4	Very high	38 Å²	38	55.3 Å²	55.3	39%	0.392	27%	0.267	S	S	.	.			trans	146.9	-3.3	163.3	0	0	0	0	0	117.3	K108	G81-K108 WeakPolarHBondContact O-CE 3.29Å; G81-K108 PolarHBondContact O-NZ 2.85Å; G81-K108 VanDerWaalsContact O-NZ 3.14Å
82	H	98.7	Very high	98.5	Very high	11 Å²	11	50.7 Å²	50.7	5%	0.051	25%	0.249	C	C	.	.			trans	-75.2	147.9	164.1	-85.9	-67.1	0	0	0	110.7	I86 S100 S102 D104 K108 W110	H82-I86 HydrophobicContact CB-CD1 4.17Å; H82-I86 HydrophobicContact CB-CG1 4.04Å; H82-S100 PolarHBondContact CD2-OG 2.56Å; H82-S100 PolarHBondContact NE2-OG 2.97Å; H82-S102 WeakPolarHBondContact CE1-CB 3.28Å; H82-S102 WeakPolarHBondContact ND1-CB 3.49Å; H82-S102 PolarHBondContact ND1-OG 3.24Å; H82-D104 IonicContact CE1-OD1 2.68Å; H82-D104 IonicContact CE1-OD2 3.63Å; H82-D104 IonicContact CG-OD2 3.39Å; H82-D104 IonicContact ND1-OD1 3.47Å; H82-D104 PolarHBondContact ND1-OD1 3.42Å; H82-D104 IonicContact ND1-OD2 3.83Å; H82-D104 PolarHBondContact ND1-OD2 2.59Å; H82-K108 WeakPolarHBondContact ND1-CE 3.23Å; H82-W110 AromaticContact CD2-CZ2 3.85Å
83	N	98.4	Very high	98.6	Very high	115 Å²	115	50 Å²	50	62%	0.615	25%	0.25	S	S	*	.	S	Bend	trans	-92.8	-19.3	-177.1	-67.9	-35.3	0	0	0	112.9	R63 D104	R63-N83 WeakPolarHBondContact CD-O 3.49Å; R63-N83 PolarHBondContact NH1-O 2.96Å; R63-N83 VanDerWaalsContact NH1-O 3.08Å; N83-D104 HydrophobicContact CB-CB 4.11Å; N83-D104 PolarHBondContact N-OD2 3.13Å
84	L	98.8	Very high	98.6	Very high	73 Å²	73	54 Å²	54	38%	0.382	27%	0.269	S	S	.	.	S	Bend	trans	-136.8	-178.2	177.8	-64.6	178.3	0	0	0	109.5	R63 S102 D103 D104	R63-L84 WeakPolarHBondContact CB-O 3.32Å; R63-L84 WeakPolarHBondContact CG-O 3.13Å; L84-S102 PolarHBondContact O-OG 2.97Å; L84-D103 HydrophobicContact CB-CB 3.92Å; L84-D103 HydrophobicContact CD1-CB 4.35Å; L84-D104 HydrophobicContact CB-CB 4.11Å; L84-D104 HydrophobicContact CD1-CB 4.46Å; L84-D104 HydrophobicContact CG-CB 4.28Å
85	E	98.7	Very high	98.6	Very high	93 Å²	93	47.9 Å²	47.9	44%	0.435	24%	0.244	S	C	.	.			trans	-50.1	146.9	-176.8	-55.9	-175.6	-160.1	0	0	112.1	A61 S102 D103	A61-E85 HydrophobicContact CB-CB 4.31Å; A61-E85 HydrophobicContact CB-CG 3.92Å; A61-E85 WeakPolarHBondContact O-CG 3.44Å; E85-S102 WeakPolarHBondContact O-CA 3.37Å; E85-S102 VanDerWaalsContact O-CB 3.27Å; E85-S102 WeakPolarHBondContact O-CB 3.24Å; E85-S102 PolarHBondContact O-OG 2.79Å; E85-D103 HydrophobicContact CB-CB 4.36Å; E85-D103 PolarHBondContact O-N 3.38Å
86	I	98.9	Very high	98.6	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.9	175.4	-57.3	174.9	0	0	0	107.5	S45 S59 S60 R63 I65 H82 D88 A101	S45-I86 VanDerWaalsContact CB-O 3.24Å; S45-I86 WeakPolarHBondContact CB-O 3.22Å; S45-I86 PolarHBondContact OG-O 2.81Å; S59-I86 VanDerWaalsContact CB-CG2 3.44Å; S60-I86 PolarHBondContact O-N 3.29Å; S60-I86 VanDerWaalsContact O-N 3.12Å; R63-I86 WeakPolarHBondContact O-CD1 3.37Å; I65-I86 HydrophobicContact CD1-CD1 4.32Å; I65-I86 HydrophobicContact CG1-CD1 3.73Å; H82-I86 HydrophobicContact CB-CD1 4.17Å; H82-I86 HydrophobicContact CB-CG1 4.04Å; I86-D88 WeakPolarHBondContact CG2-O 3.34Å; I86-A101 CarbonylContact C-O 3.55Å; I86-A101 WeakPolarHBondContact CA-O 3.25Å; I86-A101 VanDerWaalsContact CG2-O 3.3Å; I86-A101 WeakPolarHBondContact CG2-O 3.4Å
87	S	98.9	Very high	98.6	Very high	21 Å²	21	43.1 Å²	43.1	15%	0.147	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-30.4	-179.5	-75	0	0	0	0	112.9	S45 A101 D103 F129	S45-S87 WeakPolarHBondContact CB-O 3.17Å; S45-S87 PolarHBondContact OG-O 2.75Å; S87-A101 PolarHBondContact N-O 2.6Å; S87-D103 PolarHBondContact OG-OD1 3.4Å; S87-F129 VanDerWaalsContact CB-O 3.32Å; S87-F129 WeakPolarHBondContact CB-O 3.39Å
88	D	98.9	Very high	98.7	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.027	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	158.7	-178.5	-163.5	20.9	0	0	0	113.2	S46 K48 I86 S100 A101 F129 C131	S46-D88 WeakPolarHBondContact CB-OD1 3.3Å; S46-D88 PolarHBondContact OG-OD1 3.39Å; K48-D88 IonicContact NZ-OD1 3.94Å; K48-D88 PolarHBondContact NZ-OD1 2.94Å; K48-D88 IonicContact NZ-OD2 2.81Å; I86-D88 WeakPolarHBondContact CG2-O 3.34Å; D88-S100 CarbonylContact O-C 3.56Å; D88-S100 VanDerWaalsContact O-CA 3.29Å; D88-S100 WeakPolarHBondContact O-CA 3.29Å; D88-A101 HydrophobicContact CB-CB 4.4Å; D88-A101 PolarHBondContact O-N 3.46Å; D88-F129 WeakPolarHBondContact CB-O 3.47Å; D88-C131 PolarHBondContact OD2-N 2.8Å; D88-C131 VanDerWaalsContact OD2-N 3.13Å
89	V	98.9	Very high	98.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.4	175.7	66.3	0	0	0	0	110.1	K48 A57 I65 L98 V99	K48-V89 HydrophobicContact CG-CG1 4.29Å; K48-V89 WeakPolarHBondContact CG-O 3.42Å; K48-V89 PolarHBondContact NZ-O 2.82Å; A57-V89 HydrophobicContact CB-CG1 4.39Å; A57-V89 HydrophobicContact CB-CG2 4.35Å; I65-V89 HydrophobicContact CD1-CG2 4.34Å; I65-V89 HydrophobicContact CG2-CG2 4.35Å; V89-L98 HydrophobicContact CG2-CB 4.37Å; V89-L98 HydrophobicContact CG2-CD1 4.15Å; V89-L98 HydrophobicContact CG2-CD2 3.74Å; V89-L98 HydrophobicContact CG2-CG 4.32Å; V89-V99 CarbonylContact C-O 3.44Å; V89-V99 VanDerWaalsContact CA-O 3.27Å; V89-V99 WeakPolarHBondContact CA-O 3.43Å
90	A	98.9	Very high	98.7	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.033	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144.7	177	0	0	0	0	0	112.6	L98 V99	A90-L98 CarbonylContact O-C 3.57Å; A90-L98 VanDerWaalsContact O-CA 3.31Å; A90-L98 WeakPolarHBondContact O-CA 3.32Å; A90-L98 VanDerWaalsContact O-CD2 3.31Å; A90-L98 WeakPolarHBondContact O-CD2 3.33Å; A90-V99 HydrophobicContact CB-CG1 3.9Å; A90-V99 PolarHBondContact N-O 3.27Å; A90-V99 PolarHBondContact O-N 3.39Å
91	W	98.9	Very high	98.7	Very high	17 Å²	17	32.2 Å²	32.2	6%	0.064	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	145.8	178.9	-69.5	93.7	0	0	0	112.7	K48 F49 P51 W55 A57 I67 S95 L98 V112 F133	K48-W91 PolarHBondContact O-NE1 2.93Å; F49-W91 VanDerWaalsContact O-CD1 3.25Å; P51-W91 HydrophobicContact CG-CB 4.26Å; W55-W91 HydrophobicContact CB-CH2 3.74Å; W55-W91 HydrophobicContact CB-CZ2 3.81Å; W55-W91 HydrophobicContact CG-CH2 4.29Å; A57-W91 HydrophobicContact CB-CZ2 3.65Å; I67-W91 HydrophobicContact CD1-CH2 4.32Å; I67-W91 HydrophobicContact CD1-CZ2 4.28Å; W91-S95 VanDerWaalsContact CZ3-O 3.3Å; W91-S95 WeakPolarHBondContact CZ3-O 3.39Å; W91-L98 HydrophobicContact CB-CD2 4.24Å; W91-L98 HydrophobicContact CD2-CD2 3.34Å; W91-L98 HydrophobicContact CD2-CG 4.13Å; W91-L98 HydrophobicContact CE3-CD2 3.79Å; W91-L98 HydrophobicContact CE3-CG 4.09Å; W91-L98 HydrophobicContact CG-CD2 3.55Å; W91-L98 HydrophobicContact CH2-CD1 4.47Å; W91-L98 HydrophobicContact CZ2-CD1 4.4Å; W91-L98 HydrophobicContact CZ2-CD2 4.2Å; W91-L98 HydrophobicContact CZ3-CD2 4.39Å; W91-L98 HydrophobicContact CZ3-CG 4.31Å; W91-V112 HydrophobicContact CE3-CG2 4.28Å; W91-V112 HydrophobicContact CH2-CG1 3.92Å; W91-V112 HydrophobicContact CH2-CG2 4.17Å; W91-V112 HydrophobicContact CZ3-CB 4.23Å; W91-V112 HydrophobicContact CZ3-CG1 3.92Å; W91-V112 HydrophobicContact CZ3-CG2 3.62Å; W91-F133 VanDerWaalsContact C-CD2 3.41Å; W91-F133 VanDerWaalsContact O-CD2 3.31Å; W91-F133 WeakPolarHBondContact O-CD2 3.39Å
92	S	98.8	Very high	98.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	16%	0.162	C	C	.	.			trans	-69.2	152.3	158.8	58.7	0	0	0	0	110.4	P51 D94 S95 S96 R97 S137	P51-S92 WeakPolarHBondContact CG-O 3.26Å; S92-D94 WeakPolarHBondContact CB-OD1 3.45Å; S92-D94 PolarHBondContact O-N 3.22Å; S92-D94 PolarHBondContact OG-OD1 2.82Å; S92-S95 WeakPolarHBondContact O-CA 3.35Å; S92-S95 PolarHBondContact O-N 2.93Å; S92-S96 PolarHBondContact OG-N 2.92Å; S92-R97 PolarHBondContact N-O 3.43Å; S92-R97 WeakPolarHBondContact OG-CB 3.33Å; S92-R97 PolarHBondContact OG-N 2.81Å; S92-R97 PolarHBondContact OG-O 3.24Å; S92-S137 WeakPolarHBondContact CA-OG 3.41Å; S92-S137 WeakPolarHBondContact CB-OG 3.38Å
93	S	98.3	Very high	98.8	Very high	62 Å²	62	30.9 Å²	30.9	43%	0.434	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.1	-179.2	50.5	0	0	0	0	114.6	P51 S95 P135 S137	P51-S93 WeakPolarHBondContact CB-O 3.46Å; S93-S95 VanDerWaalsContact C-N 3.3Å; S93-P135 WeakPolarHBondContact CB-O 3.26Å; S93-P135 PolarHBondContact OG-O 3.01Å; S93-S137 PolarHBondContact N-OG 2.94Å; S93-S137 PolarHBondContact OG-OG 3.05Å
94	D	98.2	Very high	98.8	Very high	96 Å²	96	26.7 Å²	26.7	51%	0.513	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	2.9	174.9	69.8	-10.6	0	0	0	113.5	S92 S96	S92-D94 WeakPolarHBondContact CB-OD1 3.45Å; S92-D94 PolarHBondContact O-N 3.22Å; S92-D94 PolarHBondContact OG-OD1 2.82Å; D94-S96 PolarHBondContact O-N 2.96Å; D94-S96 VanDerWaalsContact O-N 3.09Å; D94-S96 PolarHBondContact OD1-N 2.94Å; D94-S96 PolarHBondContact OD1-OG 2.98Å; D94-S96 WeakPolarHBondContact OD2-CB 3.43Å; D94-S96 PolarHBondContact OD2-OG 3.15Å
95	S	98.6	Very high	98.8	Very high	11 Å²	11	27.6 Å²	27.6	8%	0.077	14%	0.144	C	C	.	.	S	Bend	trans	59.3	13.2	-176.7	-48.5	0	0	0	0	114.9	P51 N52 W91 S92 S93	P51-S95 WeakPolarHBondContact CD-OG 3.37Å; N52-S95 WeakPolarHBondContact CB-OG 3.42Å; N52-S95 PolarHBondContact N-OG 2.75Å; N52-S95 PolarHBondContact OD1-OG 3.22Å; W91-S95 VanDerWaalsContact CZ3-O 3.3Å; W91-S95 WeakPolarHBondContact CZ3-O 3.39Å; S92-S95 WeakPolarHBondContact O-CA 3.35Å; S92-S95 PolarHBondContact O-N 2.93Å; S93-S95 VanDerWaalsContact C-N 3.3Å
96	S	98.4	Very high	98.8	Very high	40 Å²	40	24 Å²	24	28%	0.28	13%	0.128	S	C	.	.	S	Bend	trans	-90.3	-21.3	-176.1	77.2	0	0	0	0	113.5	S92 D94 V112	S92-S96 PolarHBondContact OG-N 2.92Å; D94-S96 PolarHBondContact O-N 2.96Å; D94-S96 VanDerWaalsContact O-N 3.09Å; D94-S96 PolarHBondContact OD1-N 2.94Å; D94-S96 PolarHBondContact OD1-OG 2.98Å; D94-S96 WeakPolarHBondContact OD2-CB 3.43Å; D94-S96 PolarHBondContact OD2-OG 3.15Å; S96-V112 PolarHBondContact O-N 2.59Å
97	R	98.8	Very high	98.8	Very high	87 Å²	87	23.8 Å²	23.8	33%	0.328	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	153.6	-174.9	-60	175.1	-168.8	-178.6	2.2	112.3	S92 L109 W110 F133 V154	S92-R97 PolarHBondContact N-O 3.43Å; S92-R97 WeakPolarHBondContact OG-CB 3.33Å; S92-R97 PolarHBondContact OG-N 2.81Å; S92-R97 PolarHBondContact OG-O 3.24Å; R97-L109 HydrophobicContact CB-CD1 4.15Å; R97-W110 WeakPolarHBondContact CA-O 3Å; R97-W110 VanDerWaalsContact CB-O 3.31Å; R97-W110 WeakPolarHBondContact CB-O 3.2Å; R97-F133 HydrophobicContact CB-CZ 4.33Å; R97-V154 VanDerWaalsContact NH1-CG1 3.35Å
98	L	98.9	Very high	98.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	149.4	167.8	-77.3	174.2	0	0	0	110	A57 I65 I67 L79 V89 A90 W91 L109 W110 V112	A57-L98 HydrophobicContact CB-CD1 3.87Å; A57-L98 HydrophobicContact CB-CD2 4.11Å; I65-L98 HydrophobicContact CG2-CD1 4.03Å; I67-L98 HydrophobicContact CD1-CD1 3.54Å; L79-L98 HydrophobicContact CD1-CD1 4.12Å; V89-L98 HydrophobicContact CG2-CB 4.37Å; V89-L98 HydrophobicContact CG2-CD1 4.15Å; V89-L98 HydrophobicContact CG2-CD2 3.74Å; V89-L98 HydrophobicContact CG2-CG 4.32Å; A90-L98 CarbonylContact O-C 3.57Å; A90-L98 VanDerWaalsContact O-CA 3.31Å; A90-L98 WeakPolarHBondContact O-CA 3.32Å; A90-L98 VanDerWaalsContact O-CD2 3.31Å; A90-L98 WeakPolarHBondContact O-CD2 3.33Å; W91-L98 HydrophobicContact CB-CD2 4.24Å; W91-L98 HydrophobicContact CD2-CD2 3.34Å; W91-L98 HydrophobicContact CD2-CG 4.13Å; W91-L98 HydrophobicContact CE3-CD2 3.79Å; W91-L98 HydrophobicContact CE3-CG 4.09Å; W91-L98 HydrophobicContact CG-CD2 3.55Å; W91-L98 HydrophobicContact CH2-CD1 4.47Å; W91-L98 HydrophobicContact CZ2-CD1 4.4Å; W91-L98 HydrophobicContact CZ2-CD2 4.2Å; W91-L98 HydrophobicContact CZ3-CD2 4.39Å; W91-L98 HydrophobicContact CZ3-CG 4.31Å; L98-L109 CarbonylContact O-C 3.56Å; L98-L109 WeakPolarHBondContact O-CA 3.43Å; L98-W110 HydrophobicContact CB-CB 4.22Å; L98-W110 HydrophobicContact CB-CG 4.48Å; L98-W110 PolarHBondContact N-O 3.1Å; L98-W110 VanDerWaalsContact N-O 3.14Å; L98-W110 PolarHBondContact O-N 3.21Å; L98-V112 HydrophobicContact CB-CG2 4.3Å; L98-V112 HydrophobicContact CD1-CG2 4.03Å; L98-V112 HydrophobicContact CG-CG2 3.73Å
99	V	98.9	Very high	98.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.8	159.5	63.4	0	0	0	0	108.5	V89 A90 L107 K108 C131 F133 I140	V89-V99 CarbonylContact C-O 3.44Å; V89-V99 VanDerWaalsContact CA-O 3.27Å; V89-V99 WeakPolarHBondContact CA-O 3.43Å; A90-V99 HydrophobicContact CB-CG1 3.9Å; A90-V99 PolarHBondContact N-O 3.27Å; A90-V99 PolarHBondContact O-N 3.39Å; V99-L107 HydrophobicContact CG2-CB 4.05Å; V99-L107 HydrophobicContact CG2-CD2 3.83Å; V99-K108 CarbonylContact C-O 3.55Å; V99-K108 VanDerWaalsContact CA-O 3.26Å; V99-K108 WeakPolarHBondContact CA-O 3.44Å; V99-C131 HydrophobicContact CG1-CB 4.26Å; V99-F133 HydrophobicContact CB-CD2 4.49Å; V99-F133 HydrophobicContact CB-CE2 3.75Å; V99-F133 HydrophobicContact CB-CZ 4.07Å; V99-F133 HydrophobicContact CG1-CD2 3.78Å; V99-F133 HydrophobicContact CG1-CE2 3.5Å; V99-F133 HydrophobicContact CG1-CZ 4.23Å; V99-I140 HydrophobicContact CB-CD1 4Å; V99-I140 HydrophobicContact CB-CG1 4.39Å; V99-I140 HydrophobicContact CG1-CG1 4.39Å; V99-I140 HydrophobicContact CG1-CG2 4.45Å; V99-I140 HydrophobicContact CG2-CD1 3.87Å; V99-I140 HydrophobicContact CG2-CG1 4.4Å; V99-I140 HydrophobicContact CG2-CG2 4.03Å
100	S	98.9	Very high	98.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.5	173.3	52.7	0	0	0	0	111.5	H82 D88 L107 K108 W110	H82-S100 PolarHBondContact CD2-OG 2.56Å; H82-S100 PolarHBondContact NE2-OG 2.97Å; D88-S100 CarbonylContact O-C 3.56Å; D88-S100 VanDerWaalsContact O-CA 3.29Å; D88-S100 WeakPolarHBondContact O-CA 3.29Å; S100-L107 CarbonylContact O-C 3.54Å; S100-L107 WeakPolarHBondContact O-CA 3.36Å; S100-L107 VanDerWaalsContact O-CB 3.24Å; S100-L107 WeakPolarHBondContact O-CB 3.2Å; S100-K108 PolarHBondContact N-O 3.18Å; S100-K108 PolarHBondContact O-N 2.8Å; S100-K108 VanDerWaalsContact O-N 3.08Å; S100-W110 PolarHBondContact OG-NE1 2.98Å
101	A	98.9	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.8	178.4	0	0	0	0	0	109.9	I86 S87 D88 L107 V128 C131	I86-A101 CarbonylContact C-O 3.55Å; I86-A101 WeakPolarHBondContact CA-O 3.25Å; I86-A101 VanDerWaalsContact CG2-O 3.3Å; I86-A101 WeakPolarHBondContact CG2-O 3.4Å; S87-A101 PolarHBondContact N-O 2.6Å; D88-A101 HydrophobicContact CB-CB 4.4Å; D88-A101 PolarHBondContact O-N 3.46Å; A101-L107 HydrophobicContact CB-CD2 4.33Å; A101-V128 CarbonylContact C-O 3.58Å; A101-V128 HydrophobicContact CB-CB 3.97Å; A101-V128 HydrophobicContact CB-CG1 3.68Å; A101-V128 WeakPolarHBondContact CB-O 3.41Å; A101-C131 HydrophobicContact CB-CB 4.07Å
102	S	98.9	Very high	98.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	156.3	-170.6	177	0	0	0	0	113.8	H82 L84 E85 D104 K105 T106 V128	H82-S102 WeakPolarHBondContact CE1-CB 3.28Å; H82-S102 WeakPolarHBondContact ND1-CB 3.49Å; H82-S102 PolarHBondContact ND1-OG 3.24Å; L84-S102 PolarHBondContact O-OG 2.97Å; E85-S102 WeakPolarHBondContact O-CA 3.37Å; E85-S102 VanDerWaalsContact O-CB 3.27Å; E85-S102 WeakPolarHBondContact O-CB 3.24Å; E85-S102 PolarHBondContact O-OG 2.79Å; S102-D104 WeakPolarHBondContact CB-OD1 3.37Å; S102-D104 PolarHBondContact O-N 3.04Å; S102-D104 VanDerWaalsContact OG-CG 3.3Å; S102-D104 PolarHBondContact OG-N 3.1Å; S102-D104 VanDerWaalsContact OG-N 3.14Å; S102-D104 PolarHBondContact OG-OD1 3.08Å; S102-K105 PolarHBondContact O-N 3.12Å; S102-K105 VanDerWaalsContact O-N 3.09Å; S102-T106 PolarHBondContact N-O 3.3Å; S102-V128 PolarHBondContact N-O 3.27Å; S102-V128 PolarHBondContact O-N 2.84Å
103	D	98.9	Very high	98.6	Very high	21 Å²	21	36.4 Å²	36.4	11%	0.112	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.2	171.5	-71.9	19.5	0	0	0	112.5	L84 E85 S87 K105 Y127	L84-D103 HydrophobicContact CB-CB 3.92Å; L84-D103 HydrophobicContact CD1-CB 4.35Å; E85-D103 HydrophobicContact CB-CB 4.36Å; E85-D103 PolarHBondContact O-N 3.38Å; S87-D103 PolarHBondContact OG-OD1 3.4Å; D103-K105 PolarHBondContact O-N 2.85Å; D103-Y127 HydrophobicContact CB-CD1 3.7Å; D103-Y127 HydrophobicContact CB-CE1 4.03Å; D103-Y127 HydrophobicContact CB-CG 4.07Å; D103-Y127 WeakPolarHBondContact O-CD1 3.21Å
104	D	98.8	Very high	98.6	Very high	26 Å²	26	36.4 Å²	36.4	14%	0.139	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	6.8	168.2	75.2	16.4	0	0	0	113.6	H82 N83 L84 S102 T106	H82-D104 IonicContact CE1-OD1 2.68Å; H82-D104 IonicContact CE1-OD2 3.63Å; H82-D104 IonicContact CG-OD2 3.39Å; H82-D104 IonicContact ND1-OD1 3.47Å; H82-D104 PolarHBondContact ND1-OD1 3.42Å; H82-D104 IonicContact ND1-OD2 3.83Å; H82-D104 PolarHBondContact ND1-OD2 2.59Å; N83-D104 HydrophobicContact CB-CB 4.11Å; N83-D104 PolarHBondContact N-OD2 3.13Å; L84-D104 HydrophobicContact CB-CB 4.11Å; L84-D104 HydrophobicContact CD1-CB 4.46Å; L84-D104 HydrophobicContact CG-CB 4.28Å; S102-D104 WeakPolarHBondContact CB-OD1 3.37Å; S102-D104 PolarHBondContact O-N 3.04Å; S102-D104 VanDerWaalsContact OG-CG 3.3Å; S102-D104 PolarHBondContact OG-N 3.1Å; S102-D104 VanDerWaalsContact OG-N 3.14Å; S102-D104 PolarHBondContact OG-OD1 3.08Å; D104-T106 PolarHBondContact O-N 2.95Å; D104-T106 WeakPolarHBondContact OD1-CB 3.21Å; D104-T106 PolarHBondContact OD1-N 2.64Å; D104-T106 PolarHBondContact OD1-OG1 3.49Å
105	K	98.9	Very high	98.5	Very high	93 Å²	93	32.9 Å²	32.9	40%	0.404	16%	0.162	S	C	.	.	S	Bend	trans	69.6	13.5	176.9	-44.1	178.9	175.2	-162.5	0	113.3	S102 D103 S125 N126	S102-K105 PolarHBondContact O-N 3.12Å; S102-K105 VanDerWaalsContact O-N 3.09Å; D103-K105 PolarHBondContact O-N 2.85Å; K105-S125 WeakPolarHBondContact CD-O 3.39Å; K105-S125 WeakPolarHBondContact CE-O 3.29Å; K105-S125 PolarHBondContact NZ-O 3.22Å; K105-N126 WeakPolarHBondContact CB-O 3.24Å
106	T	98.9	Very high	98.5	Very high	16 Å²	16	39.2 Å²	39.2	10%	0.098	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	158.6	179.2	77.6	0	0	0	0	111.8	S102 D104 T120 L121 K122	S102-T106 PolarHBondContact N-O 3.3Å; D104-T106 PolarHBondContact O-N 2.95Å; D104-T106 WeakPolarHBondContact OD1-CB 3.21Å; D104-T106 PolarHBondContact OD1-N 2.64Å; D104-T106 PolarHBondContact OD1-OG1 3.49Å; T106-T120 HydrophobicContact CG2-CG2 3.89Å; T106-L121 WeakPolarHBondContact CA-O 3.17Å; T106-K122 HydrophobicContact CG2-CG 4.03Å
107	L	98.9	Very high	98.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	151.9	157.2	-56.2	94.2	0	0	0	109.8	V99 S100 A101 T120 L121 V128 C131 I140 W152	V99-L107 HydrophobicContact CG2-CB 4.05Å; V99-L107 HydrophobicContact CG2-CD2 3.83Å; S100-L107 CarbonylContact O-C 3.54Å; S100-L107 WeakPolarHBondContact O-CA 3.36Å; S100-L107 VanDerWaalsContact O-CB 3.24Å; S100-L107 WeakPolarHBondContact O-CB 3.2Å; A101-L107 HydrophobicContact CB-CD2 4.33Å; L107-T120 CarbonylContact O-C 3.53Å; L107-T120 WeakPolarHBondContact O-CA 3.46Å; L107-L121 HydrophobicContact CB-CB 4.06Å; L107-L121 HydrophobicContact CB-CD1 4.08Å; L107-L121 HydrophobicContact CB-CG 4.22Å; L107-L121 HydrophobicContact CD1-CB 4.33Å; L107-L121 PolarHBondContact N-O 2.9Å; L107-L121 VanDerWaalsContact N-O 3.11Å; L107-L121 PolarHBondContact O-N 2.65Å; L107-V128 HydrophobicContact CD1-CG1 3.83Å; L107-V128 HydrophobicContact CD1-CG2 4.16Å; L107-V128 HydrophobicContact CD2-CG1 4.14Å; L107-V128 HydrophobicContact CG-CB 4.5Å; L107-V128 HydrophobicContact CG-CG1 3.87Å; L107-C131 HydrophobicContact CD2-CB 3.54Å; L107-I140 HydrophobicContact CD2-CG2 4.21Å; L107-W152 HydrophobicContact CD1-CZ2 3.83Å
108	K	98.9	Very high	98.5	Very high	24 Å²	24	39.2 Å²	39.2	10%	0.104	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137	169.6	-71.8	173.9	-169.6	-87.6	0	110.7	G81 H82 V99 S100 W110 K119 T120	G81-K108 WeakPolarHBondContact O-CE 3.29Å; G81-K108 PolarHBondContact O-NZ 2.85Å; G81-K108 VanDerWaalsContact O-NZ 3.14Å; H82-K108 WeakPolarHBondContact ND1-CE 3.23Å; V99-K108 CarbonylContact C-O 3.55Å; V99-K108 VanDerWaalsContact CA-O 3.26Å; V99-K108 WeakPolarHBondContact CA-O 3.44Å; S100-K108 PolarHBondContact N-O 3.18Å; S100-K108 PolarHBondContact O-N 2.8Å; S100-K108 VanDerWaalsContact O-N 3.08Å; K108-W110 HydrophobicContact CB-CD2 4.39Å; K108-W110 VanDerWaalsContact CB-CE2 3.49Å; K108-W110 HydrophobicContact CB-CH2 4.29Å; K108-W110 HydrophobicContact CB-CZ2 3.43Å; K108-W110 VanDerWaalsContact CB-CZ2 3.43Å; K108-W110 HydrophobicContact CD-CH2 3.7Å; K108-W110 HydrophobicContact CD-CZ2 3.47Å; K108-W110 VanDerWaalsContact CD-CZ2 3.47Å; K108-W110 HydrophobicContact CG-CZ2 4.08Å; K108-W110 PolarHBondContact O-NE1 2.88Å; K108-K119 WeakPolarHBondContact CA-O 3.47Å; K108-T120 HydrophobicContact CG-CG2 4.34Å; K108-T120 PolarHBondContact NZ-OG1 3.43Å
109	L	98.9	Very high	98.5	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.6	172.3	178.5	68	0	0	0	108.2	R97 L98 C117 L118 K119 F133 I140 V154	R97-L109 HydrophobicContact CB-CD1 4.15Å; L98-L109 CarbonylContact O-C 3.56Å; L98-L109 WeakPolarHBondContact O-CA 3.43Å; L109-C117 CarbonylContact O-C 3.59Å; L109-L118 HydrophobicContact CD2-CB 4.21Å; L109-L118 HydrophobicContact CD2-CD1 4.24Å; L109-L118 HydrophobicContact CG-CB 4.21Å; L109-L118 HydrophobicContact CG-CD1 4.21Å; L109-L118 WeakPolarHBondContact O-CB 3.4Å; L109-L118 PolarHBondContact O-N 3.43Å; L109-K119 HydrophobicContact CB-CB 4.03Å; L109-K119 HydrophobicContact CD2-CB 4.44Å; L109-K119 HydrophobicContact CD2-CG 4.12Å; L109-K119 PolarHBondContact N-O 2.87Å; L109-K119 PolarHBondContact O-N 2.79Å; L109-F133 HydrophobicContact CD1-CE1 4.13Å; L109-F133 HydrophobicContact CD1-CZ 3.55Å; L109-I140 HydrophobicContact CD1-CD1 4.24Å; L109-V154 HydrophobicContact CD1-CG1 4.4Å; L109-V154 HydrophobicContact CD2-CG1 3.82Å
110	W	98.9	Very high	98.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.2	-174.6	-48.6	90	0	0	0	110.8	I65 L79 Y80 H82 R97 L98 S100 K108 K116 C117	I65-W110 HydrophobicContact CD1-CZ2 4.35Å; L79-W110 HydrophobicContact CB-CE3 4.18Å; L79-W110 HydrophobicContact CB-CZ3 4.33Å; L79-W110 HydrophobicContact CD1-CB 3.99Å; L79-W110 HydrophobicContact CD1-CD2 4.21Å; L79-W110 HydrophobicContact CD1-CE3 4.43Å; L79-W110 HydrophobicContact CD1-CG 4.02Å; Y80-W110 WeakPolarHBondContact O-CH2 3.36Å; Y80-W110 VanDerWaalsContact O-CZ3 3.3Å; Y80-W110 WeakPolarHBondContact O-CZ3 3.27Å; H82-W110 AromaticContact CD2-CZ2 3.85Å; R97-W110 WeakPolarHBondContact CA-O 3Å; R97-W110 VanDerWaalsContact CB-O 3.31Å; R97-W110 WeakPolarHBondContact CB-O 3.2Å; L98-W110 HydrophobicContact CB-CB 4.22Å; L98-W110 HydrophobicContact CB-CG 4.48Å; L98-W110 PolarHBondContact N-O 3.1Å; L98-W110 VanDerWaalsContact N-O 3.14Å; L98-W110 PolarHBondContact O-N 3.21Å; S100-W110 PolarHBondContact OG-NE1 2.98Å; K108-W110 HydrophobicContact CB-CD2 4.39Å; K108-W110 VanDerWaalsContact CB-CE2 3.49Å; K108-W110 HydrophobicContact CB-CH2 4.29Å; K108-W110 HydrophobicContact CB-CZ2 3.43Å; K108-W110 VanDerWaalsContact CB-CZ2 3.43Å; K108-W110 HydrophobicContact CD-CH2 3.7Å; K108-W110 HydrophobicContact CD-CZ2 3.47Å; K108-W110 VanDerWaalsContact CD-CZ2 3.47Å; K108-W110 HydrophobicContact CG-CZ2 4.08Å; K108-W110 PolarHBondContact O-NE1 2.88Å; W110-K116 WeakPolarHBondContact CA-O 3.35Å; W110-C117 HydrophobicContact CE3-CB 3.82Å; W110-C117 HydrophobicContact CH2-CB 4.23Å; W110-C117 HydrophobicContact CZ3-CB 3.61Å
111	D	98.6	Very high	98.4	Very high	42 Å²	42	46 Å²	46	23%	0.225	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.4	160.5	177.2	-96	0	0	0	108.3	R113 S114 G115 K116 L118	D111-R113 PolarHBondContact O-N 3.47Å; D111-S114 WeakPolarHBondContact CB-OG 3.32Å; D111-S114 WeakPolarHBondContact OD1-CA 3.42Å; D111-S114 WeakPolarHBondContact OD1-CB 3.48Å; D111-S114 PolarHBondContact OD1-N 3.01Å; D111-S114 PolarHBondContact OD1-OG 2.75Å; D111-G115 VanDerWaalsContact O-CA 3.23Å; D111-G115 WeakPolarHBondContact O-CA 3.42Å; D111-G115 PolarHBondContact O-N 3.01Å; D111-K116 PolarHBondContact N-O 2.85Å; D111-K116 PolarHBondContact O-N 3.34Å; D111-L118 HydrophobicContact CB-CD1 3.96Å; D111-L118 HydrophobicContact CB-CD2 3.92Å; D111-L118 HydrophobicContact CB-CG 3.93Å
112	V	97.3	Very high	98.4	Very high	15 Å²	15	53.6 Å²	53.6	9%	0.091	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-37.1	-171	174.1	0	0	0	0	111.2	K77 W91 S96 L98	K77-V112 PolarHBondContact NZ-O 2.89Å; K77-V112 VanDerWaalsContact NZ-O 3.1Å; W91-V112 HydrophobicContact CE3-CG2 4.28Å; W91-V112 HydrophobicContact CH2-CG1 3.92Å; W91-V112 HydrophobicContact CH2-CG2 4.17Å; W91-V112 HydrophobicContact CZ3-CB 4.23Å; W91-V112 HydrophobicContact CZ3-CG1 3.92Å; W91-V112 HydrophobicContact CZ3-CG2 3.62Å; S96-V112 PolarHBondContact O-N 2.59Å; L98-V112 HydrophobicContact CB-CG2 4.3Å; L98-V112 HydrophobicContact CD1-CG2 4.03Å; L98-V112 HydrophobicContact CG-CG2 3.73Å
113	R	96.4	Very high	98.4	Very high	225 Å²	225	55.6 Å²	55.6	85%	0.849	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-49.1	-178.6	-174.6	177.5	179.7	179.7	1.1	111.7	K77 D111	K77-R113 PolarHBondContact NZ-O 3.34Å; D111-R113 PolarHBondContact O-N 3.47Å
114	S	97.6	Very high	98.4	Very high	63 Å²	63	55.2 Å²	55.2	44%	0.441	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-18.7	-180	67.1	0	0	0	0	113.7	D111 K116	D111-S114 WeakPolarHBondContact CB-OG 3.32Å; D111-S114 WeakPolarHBondContact OD1-CA 3.42Å; D111-S114 WeakPolarHBondContact OD1-CB 3.48Å; D111-S114 PolarHBondContact OD1-N 3.01Å; D111-S114 PolarHBondContact OD1-OG 2.75Å; S114-K116 PolarHBondContact O-N 2.91Å; S114-K116 PolarHBondContact OG-N 2.86Å
115	G	96.8	Very high	98.4	Very high	22 Å²	22	58 Å²	58	23%	0.227	30%	0.302	C	S	.	.			trans	71.9	10.2	-173.4	0	0	0	0	0	114.4	L79 D111	L79-G115 VanDerWaalsContact CD2-CA 3.49Å; D111-G115 VanDerWaalsContact O-CA 3.23Å; D111-G115 WeakPolarHBondContact O-CA 3.42Å; D111-G115 PolarHBondContact O-N 3.01Å
116	K	98.1	Very high	98.4	Very high	144 Å²	144	56.1 Å²	56.1	63%	0.626	30%	0.296	S	S	*	.			trans	-83.2	139.4	-176.1	-67.9	-179.2	178.3	179.2	0	111.7	W110 D111 S114 L118	W110-K116 WeakPolarHBondContact CA-O 3.35Å; D111-K116 PolarHBondContact N-O 2.85Å; D111-K116 PolarHBondContact O-N 3.34Å; S114-K116 PolarHBondContact O-N 2.91Å; S114-K116 PolarHBondContact OG-N 2.86Å; K116-L118 PolarHBondContact O-N 2.97Å
117	C	98.6	Very high	98.4	Very high	54 Å²	54	60.1 Å²	60.1	37%	0.365	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	108.8	163.9	176.3	0	0	0	0	109.5	L109 W110 K119	L109-C117 CarbonylContact O-C 3.59Å; W110-C117 HydrophobicContact CE3-CB 3.82Å; W110-C117 HydrophobicContact CH2-CB 4.23Å; W110-C117 HydrophobicContact CZ3-CB 3.61Å; C117-K119 PolarHBondContact SG-O 2.98Å; C117-K119 VanDerWaalsContact SG-O 3.39Å
118	L	98.6	Very high	98.4	Very high	73 Å²	73	60.1 Å²	60.1	38%	0.382	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-40.9	177.8	-62.6	179.5	0	0	0	112.3	L109 D111 K116	L109-L118 HydrophobicContact CD2-CB 4.21Å; L109-L118 HydrophobicContact CD2-CD1 4.24Å; L109-L118 HydrophobicContact CG-CB 4.21Å; L109-L118 HydrophobicContact CG-CD1 4.21Å; L109-L118 WeakPolarHBondContact O-CB 3.4Å; L109-L118 PolarHBondContact O-N 3.43Å; D111-L118 HydrophobicContact CB-CD1 3.96Å; D111-L118 HydrophobicContact CB-CD2 3.92Å; D111-L118 HydrophobicContact CB-CG 3.93Å; K116-L118 PolarHBondContact O-N 2.97Å
119	K	98.7	Very high	98.4	Very high	85 Å²	85	61 Å²	61	37%	0.37	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	148.7	-177.4	-58.9	-69.3	173.8	178.3	0	110.7	K108 L109 C117 L121	K108-K119 WeakPolarHBondContact CA-O 3.47Å; L109-K119 HydrophobicContact CB-CB 4.03Å; L109-K119 HydrophobicContact CD2-CB 4.44Å; L109-K119 HydrophobicContact CD2-CG 4.12Å; L109-K119 PolarHBondContact N-O 2.87Å; L109-K119 PolarHBondContact O-N 2.79Å; C117-K119 PolarHBondContact SG-O 2.98Å; C117-K119 VanDerWaalsContact SG-O 3.39Å; K119-L121 HydrophobicContact CB-CD2 4.07Å
120	T	98.8	Very high	98.4	Very high	55 Å²	55	61 Å²	61	34%	0.337	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.2	163.5	-61	0	0	0	0	107.7	T106 L107 K108 K122	T106-T120 HydrophobicContact CG2-CG2 3.89Å; L107-T120 CarbonylContact O-C 3.53Å; L107-T120 WeakPolarHBondContact O-CA 3.46Å; K108-T120 HydrophobicContact CG-CG2 4.34Å; K108-T120 PolarHBondContact NZ-OG1 3.43Å; T120-K122 HydrophobicContact CG2-CG 4.1Å
121	L	98.9	Very high	98.4	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109.7	-178.5	-46.8	-175.1	0	0	0	108.3	T106 L107 K119 I140 W152 G157	T106-L121 WeakPolarHBondContact CA-O 3.17Å; L107-L121 HydrophobicContact CB-CB 4.06Å; L107-L121 HydrophobicContact CB-CD1 4.08Å; L107-L121 HydrophobicContact CB-CG 4.22Å; L107-L121 HydrophobicContact CD1-CB 4.33Å; L107-L121 PolarHBondContact N-O 2.9Å; L107-L121 VanDerWaalsContact N-O 3.11Å; L107-L121 PolarHBondContact O-N 2.65Å; K119-L121 HydrophobicContact CB-CD2 4.07Å; L121-I140 HydrophobicContact CD1-CD1 3.98Å; L121-I140 HydrophobicContact CD1-CG2 4.48Å; L121-W152 HydrophobicContact CB-CD2 4.09Å; L121-W152 HydrophobicContact CB-CE3 3.73Å; L121-W152 HydrophobicContact CB-CH2 4.3Å; L121-W152 HydrophobicContact CB-CZ3 3.84Å; L121-W152 HydrophobicContact CD1-CB 3.9Å; L121-W152 HydrophobicContact CD1-CD2 4.01Å; L121-W152 HydrophobicContact CD1-CE3 4.31Å; L121-W152 HydrophobicContact CD1-CG 3.83Å; L121-W152 HydrophobicContact CG-CE3 4.44Å; L121-G157 WeakPolarHBondContact CD2-O 3.42Å
122	K	98.8	Very high	98.4	Very high	160 Å²	160	60.3 Å²	60.3	70%	0.696	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	138	-178.8	-60.2	-174.9	179.5	-175.7	0	109.7	T106 T120 W152	T106-K122 HydrophobicContact CG2-CG 4.03Å; T120-K122 HydrophobicContact CG2-CG 4.1Å; K122-W152 WeakPolarHBondContact O-CZ3 3.17Å
123	G	98.6	Very high	98.5	Very high	42 Å²	42	60 Å²	60	43%	0.433	31%	0.308	S	S	.	.			trans	157.2	-13.9	174.9	0	0	0	0	0	115.5	K150	G123-K150 WeakPolarHBondContact O-CE 3.24Å; G123-K150 PolarHBondContact O-NZ 3.2Å; G123-K150 VanDerWaalsContact O-NZ 3.08Å
124	H	98.8	Very high	98.6	Very high	13 Å²	13	49.7 Å²	49.7	6%	0.06	27%	0.27	C	S	.	.			trans	-75.2	146.6	164.1	-79.9	-65.2	0	0	0	110.4	V128 S142 S144 D146 T148 K150 W152	H124-V128 HydrophobicContact CB-CG2 3.89Å; H124-S142 PolarHBondContact NE2-OG 3.31Å; H124-S144 WeakPolarHBondContact CE1-CB 3.49Å; H124-S144 WeakPolarHBondContact ND1-CB 3.48Å; H124-D146 WeakPolarHBondContact CA-OD2 3.28Å; H124-D146 WeakPolarHBondContact CB-OD2 3.47Å; H124-D146 IonicContact CE1-OD1 2.8Å; H124-D146 IonicContact CE1-OD2 3.89Å; H124-D146 IonicContact CG-OD2 3.69Å; H124-D146 VanDerWaalsContact ND1-CG 3.33Å; H124-D146 IonicContact ND1-OD1 3.45Å; H124-D146 PolarHBondContact ND1-OD1 2.97Å; H124-D146 VanDerWaalsContact ND1-OD1 3.13Å; H124-D146 IonicContact ND1-OD2 3.97Å; H124-D146 PolarHBondContact ND1-OD2 2.84Å; H124-T148 PolarHBondContact CE1-OG1 2.82Å; H124-T148 PolarHBondContact ND1-OG1 2.98Å; H124-K150 VanDerWaalsContact ND1-CE 3.32Å; H124-K150 WeakPolarHBondContact ND1-CE 3.07Å; H124-W152 AromaticContact CD2-CZ2 3.85Å
125	S	98.8	Very high	98.6	Very high	85 Å²	85	49 Å²	49	59%	0.594	26%	0.264	S	S	*	.	S	Bend	trans	-98.2	-8.6	179	49.3	0	0	0	0	113.3	K105 D146	K105-S125 WeakPolarHBondContact CD-O 3.39Å; K105-S125 WeakPolarHBondContact CE-O 3.29Å; K105-S125 PolarHBondContact NZ-O 3.22Å; S125-D146 PolarHBondContact N-OD2 3.35Å; S125-D146 VanDerWaalsContact OG-CB 3.29Å; S125-D146 WeakPolarHBondContact OG-CB 3.39Å; S125-D146 PolarHBondContact OG-OD2 3.29Å
126	N	98.8	Very high	98.6	Very high	53 Å²	53	52.1 Å²	52.1	28%	0.283	28%	0.281	S	S	.	.	S	Bend	trans	-138.7	-174.9	177.4	-150.7	-12.2	0	0	0	111.2	K105 V128 S144 F145 D146	K105-N126 WeakPolarHBondContact CB-O 3.24Å; N126-V128 PolarHBondContact O-N 3.3Å; N126-S144 PolarHBondContact O-OG 3.27Å; N126-F145 HydrophobicContact CB-CB 3.93Å; N126-F145 PolarHBondContact ND2-O 2.9Å; N126-D146 HydrophobicContact CB-CB 3.93Å
127	Y	98.8	Very high	98.7	Very high	99 Å²	99	46.1 Å²	46.1	39%	0.388	26%	0.256	S	S	.	.			trans	-52	130.3	-178.2	-53.5	-26.4	0	0	0	111.6	D103 S144 F145	D103-Y127 HydrophobicContact CB-CD1 3.7Å; D103-Y127 HydrophobicContact CB-CE1 4.03Å; D103-Y127 HydrophobicContact CB-CG 4.07Å; D103-Y127 WeakPolarHBondContact O-CD1 3.21Å; Y127-S144 CarbonylContact O-C 3.59Å; Y127-S144 WeakPolarHBondContact O-CA 3.41Å; Y127-S144 VanDerWaalsContact O-CB 3.24Å; Y127-S144 WeakPolarHBondContact O-CB 3.48Å; Y127-S144 PolarHBondContact O-OG 3.43Å; Y127-F145 HydrophobicContact CD2-CD1 4.4Å; Y127-F145 HydrophobicContact CD2-CG 4.35Å; Y127-F145 PolarHBondContact O-N 2.92Å
128	V	98.9	Very high	98.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.8	172.2	-165.5	0	0	0	0	107.3	A101 S102 L107 H124 N126	A101-V128 CarbonylContact C-O 3.58Å; A101-V128 HydrophobicContact CB-CB 3.97Å; A101-V128 HydrophobicContact CB-CG1 3.68Å; A101-V128 WeakPolarHBondContact CB-O 3.41Å; S102-V128 PolarHBondContact N-O 3.27Å; S102-V128 PolarHBondContact O-N 2.84Å; L107-V128 HydrophobicContact CD1-CG1 3.83Å; L107-V128 HydrophobicContact CD1-CG2 4.16Å; L107-V128 HydrophobicContact CD2-CG1 4.14Å; L107-V128 HydrophobicContact CG-CB 4.5Å; L107-V128 HydrophobicContact CG-CG1 3.87Å; H124-V128 HydrophobicContact CB-CG2 3.89Å; N126-V128 PolarHBondContact O-N 3.3Å
129	F	98.9	Very high	98.7	Very high	42 Å²	42	45.3 Å²	45.3	18%	0.184	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-36.2	-166.7	-169.8	-106.5	0	0	0	113.2	S87 D88 G143 F145 S171 C257	S87-F129 VanDerWaalsContact CB-O 3.32Å; S87-F129 WeakPolarHBondContact CB-O 3.39Å; D88-F129 WeakPolarHBondContact CB-O 3.47Å; F129-G143 PolarHBondContact N-O 3.16Å; F129-F145 HydrophobicContact CB-CD2 4.1Å; F129-F145 HydrophobicContact CB-CE2 4.09Å; F129-F145 HydrophobicContact CD2-CD2 4.38Å; F129-F145 AromaticContact CD2-CE2 3.61Å; F129-F145 HydrophobicContact CD2-CE2 3.61Å; F129-F145 HydrophobicContact CE2-CE2 4.24Å; F129-F145 HydrophobicContact CG-CD2 4.41Å; F129-F145 AromaticContact CG-CE2 3.9Å; F129-F145 HydrophobicContact CG-CE2 3.9Å; F129-S171 VanDerWaalsContact CD1-O 3.28Å; F129-S171 WeakPolarHBondContact CD1-O 3.32Å; F129-S171 WeakPolarHBondContact CE1-O 3.44Å; F129-C257 HydrophobicContact CE1-CB 3.57Å; F129-C257 WeakPolarHBondContact CE1-SG 3.33Å; F129-C257 HydrophobicContact CZ-CB 3.59Å
130	C	98.9	Very high	98.7	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.034	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.8	-175.8	52.8	0	0	0	0	111.3	S142 G143 A172 V173	C130-S142 VanDerWaalsContact O-CA 3.24Å; C130-S142 WeakPolarHBondContact O-CA 3.45Å; C130-G143 PolarHBondContact N-O 3.37Å; C130-G143 PolarHBondContact O-N 3.21Å; C130-G143 VanDerWaalsContact SG-CA 3.59Å; C130-A172 WeakPolarHBondContact SG-CA 3.35Å; C130-V173 HydrophobicContact CB-CG2 4.34Å
131	C	98.9	Very high	98.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	156	178.4	63.9	0	0	0	0	113.4	D88 V99 A101 L107 I141	D88-C131 PolarHBondContact OD2-N 2.8Å; D88-C131 VanDerWaalsContact OD2-N 3.13Å; V99-C131 HydrophobicContact CG1-CB 4.26Å; A101-C131 HydrophobicContact CB-CB 4.07Å; L107-C131 HydrophobicContact CD2-CB 3.54Å; C131-I141 CarbonylContact C-O 3.58Å; C131-I141 WeakPolarHBondContact CA-O 3.38Å
132	N	98.9	Very high	98.7	Very high	30 Å²	30	38.5 Å²	38.5	16%	0.16	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	153.8	174.6	-142	-55.9	0	0	0	112.4	I140 I141 H174	N132-I140 CarbonylContact O-C 3.54Å; N132-I140 VanDerWaalsContact O-CA 3.3Å; N132-I140 WeakPolarHBondContact O-CA 3.41Å; N132-I141 HydrophobicContact CB-CD1 4.06Å; N132-I141 HydrophobicContact CB-CG1 3.81Å; N132-I141 PolarHBondContact N-O 2.88Å; N132-I141 WeakPolarHBondContact O-CG1 3.16Å; N132-I141 PolarHBondContact O-N 2.97Å; N132-H174 PolarHBondContact ND2-CD2 2.7Å; N132-H174 VanDerWaalsContact ND2-CD2 3.3Å
133	F	98.9	Very high	98.7	Very high	7 Å²	7	30.9 Å²	30.9	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	153.3	165.7	-78.8	-86.7	0	0	0	110.5	W91 R97 V99 L109 L139 I140 V154 F175	W91-F133 VanDerWaalsContact C-CD2 3.41Å; W91-F133 VanDerWaalsContact O-CD2 3.31Å; W91-F133 WeakPolarHBondContact O-CD2 3.39Å; R97-F133 HydrophobicContact CB-CZ 4.33Å; V99-F133 HydrophobicContact CB-CD2 4.49Å; V99-F133 HydrophobicContact CB-CE2 3.75Å; V99-F133 HydrophobicContact CB-CZ 4.07Å; V99-F133 HydrophobicContact CG1-CD2 3.78Å; V99-F133 HydrophobicContact CG1-CE2 3.5Å; V99-F133 HydrophobicContact CG1-CZ 4.23Å; L109-F133 HydrophobicContact CD1-CE1 4.13Å; L109-F133 HydrophobicContact CD1-CZ 3.55Å; F133-L139 WeakPolarHBondContact CA-O 3.18Å; F133-I140 HydrophobicContact CD1-CD1 4.39Å; F133-I140 HydrophobicContact CD1-CG1 3.68Å; F133-I140 HydrophobicContact CE1-CD1 3.77Å; F133-I140 HydrophobicContact CE1-CG1 3.56Å; F133-I140 HydrophobicContact CG-CG1 4.24Å; F133-I140 HydrophobicContact CZ-CD1 3.97Å; F133-I140 HydrophobicContact CZ-CG1 4.04Å; F133-V154 HydrophobicContact CD1-CG2 4.01Å; F133-V154 HydrophobicContact CE1-CG1 4.3Å; F133-V154 HydrophobicContact CE1-CG2 3.65Å; F133-F175 WeakPolarHBondContact O-CD2 3.48Å
134	N	98.6	Very high	98.7	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.053	16%	0.161	C	C	.	.			trans	-76.3	163.9	160.9	75.2	-24.1	0	0	0	110.8	S137 N138 L139 F175	N134-S137 WeakPolarHBondContact O-CA 3.3Å; N134-S137 PolarHBondContact O-N 3.09Å; N134-S137 WeakPolarHBondContact OD1-CA 3.33Å; N134-S137 PolarHBondContact OD1-N 2.84Å; N134-N138 PolarHBondContact ND2-OD1 2.68Å; N134-N138 PolarHBondContact OD1-N 3.01Å; N134-N138 PolarHBondContact OD1-OD1 3.31Å; N134-L139 HydrophobicContact CB-CB 4.25Å; N134-L139 PolarHBondContact N-O 3.4Å; N134-L139 PolarHBondContact OD1-N 2.79Å; N134-L139 PolarHBondContact OD1-O 2.82Å; N134-F175 VanDerWaalsContact CA-CD2 3.4Å; N134-F175 HydrophobicContact CB-CD1 3.9Å; N134-F175 HydrophobicContact CB-CD2 3.6Å; N134-F175 HydrophobicContact CB-CE1 3.87Å; N134-F175 HydrophobicContact CB-CE2 3.55Å; N134-F175 HydrophobicContact CB-CG 3.76Å; N134-F175 HydrophobicContact CB-CZ 3.7Å
135	P	97.5	Very high	98.7	Very high	49 Å²	49	31.5 Å²	31.5	32%	0.318	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-38.8	-176.8	-22.2	30.9	0	0	0	115.1	S93 S137 N176 C177	S93-P135 WeakPolarHBondContact CB-O 3.26Å; S93-P135 PolarHBondContact OG-O 3.01Å; P135-S137 PolarHBondContact O-N 3.26Å; P135-N176 WeakPolarHBondContact CG-O 3.48Å; P135-C177 VanDerWaalsContact CG-O 3.29Å; P135-C177 WeakPolarHBondContact CG-O 3.29Å
136	P	97.8	Very high	98.7	Very high	87 Å²	87	28.6 Å²	28.6	57%	0.565	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-4.6	171.5	-18.5	32.4	0	0	0	115.2	N138	P136-N138 PolarHBondContact O-N 3.17Å; P136-N138 VanDerWaalsContact O-N 3.17Å
137	S	98.4	Very high	98.7	Very high	17 Å²	17	30 Å²	30	12%	0.119	15%	0.154	C	C	.	.	S	Bend	trans	56.4	25.7	-178.1	-57.1	0	0	0	0	115.6	S92 S93 N134 P135	S92-S137 WeakPolarHBondContact CA-OG 3.41Å; S92-S137 WeakPolarHBondContact CB-OG 3.38Å; S93-S137 PolarHBondContact N-OG 2.94Å; S93-S137 PolarHBondContact OG-OG 3.05Å; N134-S137 WeakPolarHBondContact O-CA 3.3Å; N134-S137 PolarHBondContact O-N 3.09Å; N134-S137 WeakPolarHBondContact OD1-CA 3.33Å; N134-S137 PolarHBondContact OD1-N 2.84Å; P135-S137 PolarHBondContact O-N 3.26Å
138	N	98.3	Very high	98.7	Very high	82 Å²	82	26.2 Å²	26.2	44%	0.439	14%	0.142	S	C	.	.	S	Bend	trans	-96.2	-15.4	174.5	71.5	-48.9	0	0	0	112.8	N134 P136 V154	N134-N138 PolarHBondContact ND2-OD1 2.68Å; N134-N138 PolarHBondContact OD1-N 3.01Å; N134-N138 PolarHBondContact OD1-OD1 3.31Å; P136-N138 PolarHBondContact O-N 3.17Å; P136-N138 VanDerWaalsContact O-N 3.17Å; N138-V154 VanDerWaalsContact C-CG2 3.43Å; N138-V154 WeakPolarHBondContact O-CB 3.45Å; N138-V154 WeakPolarHBondContact O-CG2 3.39Å; N138-V154 PolarHBondContact O-N 3.07Å
139	L	98.7	Very high	98.7	Very high	28 Å²	28	26.2 Å²	26.2	15%	0.147	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.8	175.3	-58.4	177.3	0	0	0	111.4	F133 N134 I151 W152 L160 F175	F133-L139 WeakPolarHBondContact CA-O 3.18Å; N134-L139 HydrophobicContact CB-CB 4.25Å; N134-L139 PolarHBondContact N-O 3.4Å; N134-L139 PolarHBondContact OD1-N 2.79Å; N134-L139 PolarHBondContact OD1-O 2.82Å; L139-I151 HydrophobicContact CB-CG2 4.47Å; L139-I151 HydrophobicContact CD1-CG2 4.23Å; L139-I151 HydrophobicContact CD2-CG2 4.34Å; L139-W152 CarbonylContact C-O 3.58Å; L139-W152 VanDerWaalsContact CA-O 3.26Å; L139-W152 WeakPolarHBondContact CA-O 3.49Å; L139-L160 HydrophobicContact CD2-CD1 3.67Å; L139-F175 HydrophobicContact CB-CZ 4.26Å
140	I	98.9	Very high	98.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.8	166.2	-71.9	157.5	0	0	0	108	V99 L107 L109 L121 N132 F133 I151 W152 V154	V99-I140 HydrophobicContact CB-CD1 4Å; V99-I140 HydrophobicContact CB-CG1 4.39Å; V99-I140 HydrophobicContact CG1-CG1 4.39Å; V99-I140 HydrophobicContact CG1-CG2 4.45Å; V99-I140 HydrophobicContact CG2-CD1 3.87Å; V99-I140 HydrophobicContact CG2-CG1 4.4Å; V99-I140 HydrophobicContact CG2-CG2 4.03Å; L107-I140 HydrophobicContact CD2-CG2 4.21Å; L109-I140 HydrophobicContact CD1-CD1 4.24Å; L121-I140 HydrophobicContact CD1-CD1 3.98Å; L121-I140 HydrophobicContact CD1-CG2 4.48Å; N132-I140 CarbonylContact O-C 3.54Å; N132-I140 VanDerWaalsContact O-CA 3.3Å; N132-I140 WeakPolarHBondContact O-CA 3.41Å; F133-I140 HydrophobicContact CD1-CD1 4.39Å; F133-I140 HydrophobicContact CD1-CG1 3.68Å; F133-I140 HydrophobicContact CE1-CD1 3.77Å; F133-I140 HydrophobicContact CE1-CG1 3.56Å; F133-I140 HydrophobicContact CG-CG1 4.24Å; F133-I140 HydrophobicContact CZ-CD1 3.97Å; F133-I140 HydrophobicContact CZ-CG1 4.04Å; I140-I151 CarbonylContact O-C 3.58Å; I140-I151 WeakPolarHBondContact O-CA 3.4Å; I140-W152 HydrophobicContact CB-CB 4.22Å; I140-W152 PolarHBondContact N-O 3.09Å; I140-W152 PolarHBondContact O-N 3.33Å; I140-V154 HydrophobicContact CD1-CG2 3.78Å; I140-V154 HydrophobicContact CG1-CG2 3.75Å
141	I	98.9	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.1	164.7	51.7	177.8	0	0	0	110.1	C131 N132 K150 I151 V173 F175 I182	C131-I141 CarbonylContact C-O 3.58Å; C131-I141 WeakPolarHBondContact CA-O 3.38Å; N132-I141 HydrophobicContact CB-CD1 4.06Å; N132-I141 HydrophobicContact CB-CG1 3.81Å; N132-I141 PolarHBondContact N-O 2.88Å; N132-I141 WeakPolarHBondContact O-CG1 3.16Å; N132-I141 PolarHBondContact O-N 2.97Å; I141-K150 CarbonylContact C-O 3.56Å; I141-K150 WeakPolarHBondContact CA-O 3.25Å; I141-I151 HydrophobicContact CG2-CG1 4.03Å; I141-V173 HydrophobicContact CB-CG2 4.26Å; I141-V173 HydrophobicContact CD1-CB 3.88Å; I141-V173 HydrophobicContact CD1-CG2 3.95Å; I141-V173 HydrophobicContact CG1-CB 4.28Å; I141-V173 HydrophobicContact CG1-CG2 3.84Å; I141-F175 HydrophobicContact CB-CD2 4.48Å; I141-F175 HydrophobicContact CB-CE2 3.83Å; I141-F175 HydrophobicContact CB-CZ 4.33Å; I141-F175 HydrophobicContact CD1-CD2 3.43Å; I141-F175 VanDerWaalsContact CD1-CD2 3.43Å; I141-F175 HydrophobicContact CD1-CE2 3.66Å; I141-F175 HydrophobicContact CD1-CG 4.07Å; I141-F175 HydrophobicContact CD1-CZ 4.42Å; I141-F175 HydrophobicContact CG1-CD2 3.67Å; I141-F175 HydrophobicContact CG1-CE2 3.47Å; I141-F175 VanDerWaalsContact CG1-CE2 3.47Å; I141-F175 HydrophobicContact CG1-CZ 4.37Å; I141-F175 HydrophobicContact CG2-CD2 4.17Å; I141-F175 HydrophobicContact CG2-CE1 4.2Å; I141-F175 HydrophobicContact CG2-CE2 3.25Å; I141-F175 HydrophobicContact CG2-CZ 3.27Å; I141-I182 HydrophobicContact CD1-CG1 4.44Å; I141-I182 HydrophobicContact CD1-CG2 3.96Å; I141-I182 HydrophobicContact CG2-CD1 3.57Å; I141-I182 HydrophobicContact CG2-CG1 4.03Å
142	S	98.9	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.8	173.9	62.3	0	0	0	0	111.8	H124 C130 V149 K150 W152	H124-S142 PolarHBondContact NE2-OG 3.31Å; C130-S142 VanDerWaalsContact O-CA 3.24Å; C130-S142 WeakPolarHBondContact O-CA 3.45Å; S142-V149 CarbonylContact O-C 3.55Å; S142-V149 VanDerWaalsContact O-CA 3.23Å; S142-V149 WeakPolarHBondContact O-CA 3.46Å; S142-K150 PolarHBondContact N-O 3.04Å; S142-K150 PolarHBondContact O-N 3.34Å; S142-W152 PolarHBondContact OG-NE1 2.95Å
143	G	98.9	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.4	169	0	0	0	0	0	110.5	F129 C130	F129-G143 PolarHBondContact N-O 3.16Å; C130-G143 PolarHBondContact N-O 3.37Å; C130-G143 PolarHBondContact O-N 3.21Å; C130-G143 VanDerWaalsContact SG-CA 3.59Å
144	S	98.9	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	163	-172.1	174.2	0	0	0	0	112.9	H124 N126 Y127 D146 E147 T148 V170	H124-S144 WeakPolarHBondContact CE1-CB 3.49Å; H124-S144 WeakPolarHBondContact ND1-CB 3.48Å; N126-S144 PolarHBondContact O-OG 3.27Å; Y127-S144 CarbonylContact O-C 3.59Å; Y127-S144 WeakPolarHBondContact O-CA 3.41Å; Y127-S144 VanDerWaalsContact O-CB 3.24Å; Y127-S144 WeakPolarHBondContact O-CB 3.48Å; Y127-S144 PolarHBondContact O-OG 3.43Å; S144-D146 VanDerWaalsContact CB-OD1 3.28Å; S144-D146 WeakPolarHBondContact CB-OD1 3.33Å; S144-D146 PolarHBondContact O-N 3.28Å; S144-D146 PolarHBondContact OG-N 3.21Å; S144-D146 VanDerWaalsContact OG-N 3.12Å; S144-D146 PolarHBondContact OG-OD1 3.31Å; S144-E147 PolarHBondContact O-N 3.37Å; S144-E147 VanDerWaalsContact O-N 3.1Å; S144-T148 PolarHBondContact N-O 3.38Å; S144-V170 PolarHBondContact O-N 3.39Å
145	F	98.9	Very high	98.6	Very high	67 Å²	67	34.8 Å²	34.8	29%	0.294	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-2.6	165.1	-85	-118	0	0	0	113.8	N126 Y127 F129 P169	N126-F145 HydrophobicContact CB-CB 3.93Å; N126-F145 PolarHBondContact ND2-O 2.9Å; Y127-F145 HydrophobicContact CD2-CD1 4.4Å; Y127-F145 HydrophobicContact CD2-CG 4.35Å; Y127-F145 PolarHBondContact O-N 2.92Å; F129-F145 HydrophobicContact CB-CD2 4.1Å; F129-F145 HydrophobicContact CB-CE2 4.09Å; F129-F145 HydrophobicContact CD2-CD2 4.38Å; F129-F145 AromaticContact CD2-CE2 3.61Å; F129-F145 HydrophobicContact CD2-CE2 3.61Å; F129-F145 HydrophobicContact CE2-CE2 4.24Å; F129-F145 HydrophobicContact CG-CD2 4.41Å; F129-F145 AromaticContact CG-CE2 3.9Å; F129-F145 HydrophobicContact CG-CE2 3.9Å; F145-P169 HydrophobicContact CB-CB 4.42Å; F145-P169 HydrophobicContact CB-CG 4.46Å; F145-P169 HydrophobicContact CD1-CB 3.99Å; F145-P169 HydrophobicContact CD1-CG 3.73Å; F145-P169 HydrophobicContact CD2-CB 3.97Å; F145-P169 HydrophobicContact CE1-CB 4.2Å; F145-P169 HydrophobicContact CE1-CG 4.05Å; F145-P169 HydrophobicContact CE2-CB 4.16Å; F145-P169 HydrophobicContact CG-CB 3.87Å; F145-P169 HydrophobicContact CG-CG 4.03Å; F145-P169 HydrophobicContact CZ-CB 4.28Å
146	D	98.8	Very high	98.7	Very high	24 Å²	24	35.1 Å²	35.1	13%	0.128	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	11.3	166.4	70	17.9	0	0	0	113.1	H124 S125 N126 S144 T148	H124-D146 WeakPolarHBondContact CA-OD2 3.28Å; H124-D146 WeakPolarHBondContact CB-OD2 3.47Å; H124-D146 IonicContact CE1-OD1 2.8Å; H124-D146 IonicContact CE1-OD2 3.89Å; H124-D146 IonicContact CG-OD2 3.69Å; H124-D146 VanDerWaalsContact ND1-CG 3.33Å; H124-D146 IonicContact ND1-OD1 3.45Å; H124-D146 PolarHBondContact ND1-OD1 2.97Å; H124-D146 VanDerWaalsContact ND1-OD1 3.13Å; H124-D146 IonicContact ND1-OD2 3.97Å; H124-D146 PolarHBondContact ND1-OD2 2.84Å; S125-D146 PolarHBondContact N-OD2 3.35Å; S125-D146 VanDerWaalsContact OG-CB 3.29Å; S125-D146 WeakPolarHBondContact OG-CB 3.39Å; S125-D146 PolarHBondContact OG-OD2 3.29Å; N126-D146 HydrophobicContact CB-CB 3.93Å; S144-D146 VanDerWaalsContact CB-OD1 3.28Å; S144-D146 WeakPolarHBondContact CB-OD1 3.33Å; S144-D146 PolarHBondContact O-N 3.28Å; S144-D146 PolarHBondContact OG-N 3.21Å; S144-D146 VanDerWaalsContact OG-N 3.12Å; S144-D146 PolarHBondContact OG-OD1 3.31Å; D146-T148 WeakPolarHBondContact O-CG2 3.33Å; D146-T148 PolarHBondContact O-N 3.06Å; D146-T148 WeakPolarHBondContact OD1-CB 3.44Å; D146-T148 PolarHBondContact OD1-N 3.43Å; D146-T148 PolarHBondContact OD1-OG1 3.01Å
147	E	98.8	Very high	98.7	Very high	82 Å²	82	31.7 Å²	31.7	38%	0.383	16%	0.16	S	C	.	.	S	Bend	trans	67.9	4.6	175.2	-46.9	167.4	-160.1	0	0	113.6	S144 A165 H166 S167	S144-E147 PolarHBondContact O-N 3.37Å; S144-E147 VanDerWaalsContact O-N 3.1Å; E147-A165 PolarHBondContact O-N 3.04Å; E147-H166 PolarHBondContact O-N 2.92Å; E147-H166 VanDerWaalsContact O-N 3.12Å; E147-S167 WeakPolarHBondContact OE2-CA 3.41Å
148	T	98.9	Very high	98.7	Very high	21 Å²	21	37.9 Å²	37.9	13%	0.129	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	152.5	179.9	75.5	0	0	0	0	113.2	H124 S144 D146 K150 T162 L163	H124-T148 PolarHBondContact CE1-OG1 2.82Å; H124-T148 PolarHBondContact ND1-OG1 2.98Å; S144-T148 PolarHBondContact N-O 3.38Å; D146-T148 WeakPolarHBondContact O-CG2 3.33Å; D146-T148 PolarHBondContact O-N 3.06Å; D146-T148 WeakPolarHBondContact OD1-CB 3.44Å; D146-T148 PolarHBondContact OD1-N 3.43Å; D146-T148 PolarHBondContact OD1-OG1 3.01Å; T148-K150 WeakPolarHBondContact OG1-CE 3.25Å; T148-T162 HydrophobicContact CG2-CG2 3.99Å; T148-L163 WeakPolarHBondContact CA-O 3.32Å; T148-L163 WeakPolarHBondContact CB-O 3.42Å
149	V	98.9	Very high	98.7	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	-106.9	131.9	163.1	172.1	0	0	0	0	108.5	S142 L163 A165 V170 V173	S142-V149 CarbonylContact O-C 3.55Å; S142-V149 VanDerWaalsContact O-CA 3.23Å; S142-V149 WeakPolarHBondContact O-CA 3.46Å; V149-L163 HydrophobicContact CB-CB 4.26Å; V149-L163 HydrophobicContact CB-CD1 4.27Å; V149-L163 HydrophobicContact CB-CG 4.47Å; V149-L163 HydrophobicContact CG1-CD1 4.1Å; V149-L163 PolarHBondContact N-O 3.34Å; V149-L163 VanDerWaalsContact N-O 3.08Å; V149-L163 WeakPolarHBondContact O-CB 3.35Å; V149-L163 PolarHBondContact O-N 3.15Å; V149-A165 HydrophobicContact CB-CB 3.82Å; V149-A165 HydrophobicContact CG2-CB 3.51Å; V149-V170 HydrophobicContact CG2-CG1 3.97Å; V149-V170 HydrophobicContact CG2-CG2 4.24Å; V149-V173 HydrophobicContact CG1-CG1 4.27Å; V149-V173 HydrophobicContact CG2-CG1 3.82Å
150	K	98.9	Very high	98.7	Very high	18 Å²	18	39.1 Å²	39.1	8%	0.078	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.7	176.9	-68.6	177.8	-166.1	-86.1	0	111.5	G123 H124 I141 S142 T148 W152 K161 T162	G123-K150 WeakPolarHBondContact O-CE 3.24Å; G123-K150 PolarHBondContact O-NZ 3.2Å; G123-K150 VanDerWaalsContact O-NZ 3.08Å; H124-K150 VanDerWaalsContact ND1-CE 3.32Å; H124-K150 WeakPolarHBondContact ND1-CE 3.07Å; I141-K150 CarbonylContact C-O 3.56Å; I141-K150 WeakPolarHBondContact CA-O 3.25Å; S142-K150 PolarHBondContact N-O 3.04Å; S142-K150 PolarHBondContact O-N 3.34Å; T148-K150 WeakPolarHBondContact OG1-CE 3.25Å; K150-W152 HydrophobicContact CB-CZ2 3.65Å; K150-W152 HydrophobicContact CD-CH2 3.88Å; K150-W152 HydrophobicContact CD-CZ2 3.54Å; K150-W152 HydrophobicContact CG-CZ2 4.22Å; K150-K161 WeakPolarHBondContact CA-O 3.14Å; K150-T162 HydrophobicContact CG-CG2 4.18Å; K150-T162 VanDerWaalsContact NZ-CG2 3.32Å; K150-T162 PolarHBondContact NZ-OG1 2.86Å
151	I	98.9	Very high	98.7	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.5	174.6	-54.4	173.8	0	0	0	107.8	L139 I140 I141 L160 K161 I182	L139-I151 HydrophobicContact CB-CG2 4.47Å; L139-I151 HydrophobicContact CD1-CG2 4.23Å; L139-I151 HydrophobicContact CD2-CG2 4.34Å; I140-I151 CarbonylContact O-C 3.58Å; I140-I151 WeakPolarHBondContact O-CA 3.4Å; I141-I151 HydrophobicContact CG2-CG1 4.03Å; I151-L160 PolarHBondContact O-N 3.08Å; I151-K161 HydrophobicContact CB-CB 4.23Å; I151-K161 HydrophobicContact CD1-CB 4.23Å; I151-K161 HydrophobicContact CD1-CD 4.04Å; I151-K161 HydrophobicContact CG1-CB 4.38Å; I151-K161 PolarHBondContact N-O 3Å; I151-K161 PolarHBondContact O-N 2.76Å; I151-I182 HydrophobicContact CD1-CD1 3.58Å; I151-I182 HydrophobicContact CG1-CD1 3.96Å
152	W	98.9	Very high	98.7	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.9	-173.8	-44.4	81.3	0	0	0	110.9	L107 L121 K122 H124 L139 I140 S142 K150 K158 C159	L107-W152 HydrophobicContact CD1-CZ2 3.83Å; L121-W152 HydrophobicContact CB-CD2 4.09Å; L121-W152 HydrophobicContact CB-CE3 3.73Å; L121-W152 HydrophobicContact CB-CH2 4.3Å; L121-W152 HydrophobicContact CB-CZ3 3.84Å; L121-W152 HydrophobicContact CD1-CB 3.9Å; L121-W152 HydrophobicContact CD1-CD2 4.01Å; L121-W152 HydrophobicContact CD1-CE3 4.31Å; L121-W152 HydrophobicContact CD1-CG 3.83Å; L121-W152 HydrophobicContact CG-CE3 4.44Å; K122-W152 WeakPolarHBondContact O-CZ3 3.17Å; H124-W152 AromaticContact CD2-CZ2 3.85Å; L139-W152 CarbonylContact C-O 3.58Å; L139-W152 VanDerWaalsContact CA-O 3.26Å; L139-W152 WeakPolarHBondContact CA-O 3.49Å; I140-W152 HydrophobicContact CB-CB 4.22Å; I140-W152 PolarHBondContact N-O 3.09Å; I140-W152 PolarHBondContact O-N 3.33Å; S142-W152 PolarHBondContact OG-NE1 2.95Å; K150-W152 HydrophobicContact CB-CZ2 3.65Å; K150-W152 HydrophobicContact CD-CH2 3.88Å; K150-W152 HydrophobicContact CD-CZ2 3.54Å; K150-W152 HydrophobicContact CG-CZ2 4.22Å; W152-K158 WeakPolarHBondContact CA-O 3.23Å; W152-C159 HydrophobicContact CD2-CB 4.37Å; W152-C159 HydrophobicContact CE3-CB 3.65Å; W152-C159 HydrophobicContact CH2-CB 4.26Å; W152-C159 HydrophobicContact CZ3-CB 3.59Å
153	E	98.6	Very high	98.7	Very high	66 Å²	66	46.5 Å²	46.5	31%	0.308	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.5	170.5	-173.5	-177.6	-144.5	0	0	110.3	K155 T156 G157 K158 L160	E153-K155 PolarHBondContact O-N 2.91Å; E153-T156 WeakPolarHBondContact OE2-CB 3.45Å; E153-T156 WeakPolarHBondContact OE2-CG2 3.37Å; E153-T156 PolarHBondContact OE2-OG1 2.69Å; E153-G157 VanDerWaalsContact O-CA 3.26Å; E153-G157 WeakPolarHBondContact O-CA 3.26Å; E153-G157 PolarHBondContact O-N 2.96Å; E153-K158 PolarHBondContact N-O 3.36Å; E153-L160 HydrophobicContact CB-CD1 3.99Å; E153-L160 HydrophobicContact CB-CD2 4.02Å; E153-L160 HydrophobicContact CB-CG 3.97Å
154	V	98.6	Very high	98.6	Very high	6 Å²	6	51.6 Å²	51.6	4%	0.036	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-40.4	-175.3	172.5	0	0	0	0	112.1	R97 L109 F133 N138 I140	R97-V154 VanDerWaalsContact NH1-CG1 3.35Å; L109-V154 HydrophobicContact CD1-CG1 4.4Å; L109-V154 HydrophobicContact CD2-CG1 3.82Å; F133-V154 HydrophobicContact CD1-CG2 4.01Å; F133-V154 HydrophobicContact CE1-CG1 4.3Å; F133-V154 HydrophobicContact CE1-CG2 3.65Å; N138-V154 VanDerWaalsContact C-CG2 3.43Å; N138-V154 WeakPolarHBondContact O-CB 3.45Å; N138-V154 WeakPolarHBondContact O-CG2 3.39Å; N138-V154 PolarHBondContact O-N 3.07Å; I140-V154 HydrophobicContact CD1-CG2 3.78Å; I140-V154 HydrophobicContact CG1-CG2 3.75Å
155	K	98.1	Very high	98.5	Very high	179 Å²	179	51.6 Å²	51.6	78%	0.778	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-45.2	-175.5	-173.4	178	-178.9	-180	0	112	E153	E153-K155 PolarHBondContact O-N 2.91Å
156	T	98.1	Very high	98.5	Very high	57 Å²	57	49.1 Å²	49.1	35%	0.35	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-27	-175.4	63.3	0	0	0	0	112.5	E153 K158	E153-T156 WeakPolarHBondContact OE2-CB 3.45Å; E153-T156 WeakPolarHBondContact OE2-CG2 3.37Å; E153-T156 PolarHBondContact OE2-OG1 2.69Å; T156-K158 VanDerWaalsContact C-N 3.29Å; T156-K158 PolarHBondContact OG1-N 3.13Å
157	G	98.3	Very high	98.5	Very high	15 Å²	15	51.4 Å²	51.4	16%	0.155	28%	0.276	C	S	.	.			trans	76.4	14.2	-170.6	0	0	0	0	0	113.5	L121 E153	L121-G157 WeakPolarHBondContact CD2-O 3.42Å; E153-G157 VanDerWaalsContact O-CA 3.26Å; E153-G157 WeakPolarHBondContact O-CA 3.26Å; E153-G157 PolarHBondContact O-N 2.96Å
158	K	98.4	Very high	98.5	Very high	146 Å²	146	50.9 Å²	50.9	64%	0.635	28%	0.276	S	S	*	.			trans	-86.5	144.1	-179.5	-68	-176.7	175.7	-176.8	0	111.4	W152 E153 T156 L160	W152-K158 WeakPolarHBondContact CA-O 3.23Å; E153-K158 PolarHBondContact N-O 3.36Å; T156-K158 VanDerWaalsContact C-N 3.29Å; T156-K158 PolarHBondContact OG1-N 3.13Å; K158-L160 PolarHBondContact O-N 3.11Å
159	C	98.7	Very high	98.5	Very high	49 Å²	49	51.1 Å²	51.1	33%	0.331	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	117.1	167	-173.5	0	0	0	0	109	W152 K161	W152-C159 HydrophobicContact CD2-CB 4.37Å; W152-C159 HydrophobicContact CE3-CB 3.65Å; W152-C159 HydrophobicContact CH2-CB 4.26Å; W152-C159 HydrophobicContact CZ3-CB 3.59Å; C159-K161 PolarHBondContact SG-O 2.99Å
160	L	98.4	Very high	98.5	Very high	88 Å²	88	51.1 Å²	51.1	46%	0.461	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-38.2	176.4	-62.3	-176.6	0	0	0	111.9	L139 I151 E153 K158	L139-L160 HydrophobicContact CD2-CD1 3.67Å; I151-L160 PolarHBondContact O-N 3.08Å; E153-L160 HydrophobicContact CB-CD1 3.99Å; E153-L160 HydrophobicContact CB-CD2 4.02Å; E153-L160 HydrophobicContact CB-CG 3.97Å; K158-L160 PolarHBondContact O-N 3.11Å
161	K	98.5	Very high	98.5	Very high	69 Å²	69	50.5 Å²	50.5	30%	0.3	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	143.7	-176.4	-69.5	179	164.9	60.4	0	111	K150 I151 C159 L163 A197 S198	K150-K161 WeakPolarHBondContact CA-O 3.14Å; I151-K161 HydrophobicContact CB-CB 4.23Å; I151-K161 HydrophobicContact CD1-CB 4.23Å; I151-K161 HydrophobicContact CD1-CD 4.04Å; I151-K161 HydrophobicContact CG1-CB 4.38Å; I151-K161 PolarHBondContact N-O 3Å; I151-K161 PolarHBondContact O-N 2.76Å; C159-K161 PolarHBondContact SG-O 2.99Å; K161-L163 HydrophobicContact CB-CD2 4.17Å; K161-A197 WeakPolarHBondContact CE-O 3.04Å; K161-A197 PolarHBondContact NZ-O 3.29Å; K161-S198 VanDerWaalsContact CE-O 3.25Å; K161-S198 WeakPolarHBondContact CE-O 3.22Å
162	T	98.7	Very high	98.5	Very high	72 Å²	72	50.6 Å²	50.6	44%	0.442	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.1	164.7	-61.8	0	0	0	0	107.1	T148 K150	T148-T162 HydrophobicContact CG2-CG2 3.99Å; K150-T162 HydrophobicContact CG-CG2 4.18Å; K150-T162 VanDerWaalsContact NZ-CG2 3.32Å; K150-T162 PolarHBondContact NZ-OG1 2.86Å
163	L	98.5	Very high	98.5	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.068	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.8	179.1	-44.6	-177	0	0	0	107.1	T148 V149 K161 A165 W194 G199	T148-L163 WeakPolarHBondContact CA-O 3.32Å; T148-L163 WeakPolarHBondContact CB-O 3.42Å; V149-L163 HydrophobicContact CB-CB 4.26Å; V149-L163 HydrophobicContact CB-CD1 4.27Å; V149-L163 HydrophobicContact CB-CG 4.47Å; V149-L163 HydrophobicContact CG1-CD1 4.1Å; V149-L163 PolarHBondContact N-O 3.34Å; V149-L163 VanDerWaalsContact N-O 3.08Å; V149-L163 WeakPolarHBondContact O-CB 3.35Å; V149-L163 PolarHBondContact O-N 3.15Å; K161-L163 HydrophobicContact CB-CD2 4.17Å; L163-A165 HydrophobicContact CB-CB 4.26Å; L163-A165 WeakPolarHBondContact O-CB 3.31Å; L163-A165 PolarHBondContact O-N 2.89Å; L163-W194 HydrophobicContact CB-CZ3 4.38Å; L163-W194 HydrophobicContact CD1-CB 4.36Å; L163-W194 HydrophobicContact CD1-CD2 3.93Å; L163-W194 HydrophobicContact CD1-CE3 3.92Å; L163-W194 HydrophobicContact CD1-CG 4.12Å; L163-G199 WeakPolarHBondContact CD2-O 3.31Å
164	S	97.7	Very high	98.5	Very high	108 Å²	108	49.3 Å²	49.3	76%	0.755	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	79.3	167.2	-62.1	0	0	0	0	108
165	A	97.1	Very high	98.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.271	C	S	.	.			trans	-89.1	-31.4	-154.1	0	0	0	0	0	112.9	E147 V149 L163 R192 W194	E147-A165 PolarHBondContact O-N 3.04Å; V149-A165 HydrophobicContact CB-CB 3.82Å; V149-A165 HydrophobicContact CG2-CB 3.51Å; L163-A165 HydrophobicContact CB-CB 4.26Å; L163-A165 WeakPolarHBondContact O-CB 3.31Å; L163-A165 PolarHBondContact O-N 2.89Å; A165-R192 VanDerWaalsContact C-NH1 3.3Å; A165-R192 WeakPolarHBondContact O-CD 3.29Å; A165-R192 PolarHBondContact O-NH1 2.99Å; A165-W194 HydrophobicContact CB-CH2 4.08Å; A165-W194 HydrophobicContact CB-CZ2 3.71Å; A165-W194 WeakPolarHBondContact O-CZ2 3.42Å
166	H	98.7	Very high	98.5	Very high	14 Å²	14	41.4 Å²	41.4	7%	0.065	24%	0.237	C	C	.	.			trans	-149.8	174.6	-173.8	-73	-76.3	0	0	0	110.2	E147 D168 V170 S184 S186 D188 L190	E147-H166 PolarHBondContact O-N 2.92Å; E147-H166 VanDerWaalsContact O-N 3.12Å; H166-D168 WeakPolarHBondContact CB-O 3.31Å; H166-V170 HydrophobicContact CB-CG2 4.36Å; H166-S184 WeakPolarHBondContact NE2-CB 3.45Å; H166-S184 PolarHBondContact NE2-OG 2.73Å; H166-S186 WeakPolarHBondContact ND1-CB 3.48Å; H166-D188 WeakPolarHBondContact CA-OD2 3.18Å; H166-D188 VanDerWaalsContact CB-OD2 3.24Å; H166-D188 WeakPolarHBondContact CB-OD2 3.44Å; H166-D188 IonicContact CE1-OD1 3.69Å; H166-D188 IonicContact CG-OD2 3.19Å; H166-D188 IonicContact ND1-OD1 3.13Å; H166-D188 PolarHBondContact ND1-OD1 2.88Å; H166-D188 IonicContact ND1-OD2 3.95Å; H166-D188 PolarHBondContact ND1-OD2 2.7Å; H166-L190 PolarHBondContact CE1-O 2.59Å; H166-L190 VanDerWaalsContact CE1-O 3.3Å
167	S	98.5	Very high	98.4	Very high	73 Å²	73	42.3 Å²	42.3	51%	0.51	25%	0.245	S	C	.	.	S	Bend	trans	-110.5	8.5	173.2	57.5	0	0	0	0	113.7	E147 D188	E147-S167 WeakPolarHBondContact OE2-CA 3.41Å; S167-D188 PolarHBondContact N-OD2 2.91Å; S167-D188 VanDerWaalsContact N-OD2 3.17Å; S167-D188 WeakPolarHBondContact OG-CB 3.27Å
168	D	98.8	Very high	98.2	Very high	71 Å²	71	45.1 Å²	45.1	38%	0.38	26%	0.262	S	S	.	.	S	Bend	trans	-150.6	166.8	176.9	-82.8	-54.6	0	0	0	108.5	H166 V170 S186 D188	H166-D168 WeakPolarHBondContact CB-O 3.31Å; D168-V170 PolarHBondContact O-N 3.35Å; D168-S186 VanDerWaalsContact C-OG 3.29Å; D168-S186 PolarHBondContact O-OG 3.25Å; D168-D188 HydrophobicContact CB-CB 3.99Å
169	P	98.8	Very high	98.1	Very high	25 Å²	25	38.7 Å²	38.7	16%	0.162	24%	0.237	C	C	.	.			trans	-48.2	134.7	-175.9	-32.5	37.8	0	0	0	114.4	F145 S171 S186 Y187	F145-P169 HydrophobicContact CB-CB 4.42Å; F145-P169 HydrophobicContact CB-CG 4.46Å; F145-P169 HydrophobicContact CD1-CB 3.99Å; F145-P169 HydrophobicContact CD1-CG 3.73Å; F145-P169 HydrophobicContact CD2-CB 3.97Å; F145-P169 HydrophobicContact CE1-CB 4.2Å; F145-P169 HydrophobicContact CE1-CG 4.05Å; F145-P169 HydrophobicContact CE2-CB 4.16Å; F145-P169 HydrophobicContact CG-CB 3.87Å; F145-P169 HydrophobicContact CG-CG 4.03Å; F145-P169 HydrophobicContact CZ-CB 4.28Å; P169-S171 PolarHBondContact O-N 2.95Å; P169-S186 WeakPolarHBondContact O-CA 3.41Å; P169-S186 WeakPolarHBondContact O-CB 3.3Å; P169-S186 PolarHBondContact O-OG 3.05Å; P169-Y187 HydrophobicContact CB-CD2 4Å; P169-Y187 WeakPolarHBondContact O-CD2 3.48Å; P169-Y187 PolarHBondContact O-N 2.98Å
170	V	98.9	Very high	98.1	Very high	1 Å²	1	39 Å²	39	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.8	178.1	-173.1	0	0	0	0	109.5	S144 V149 H166 D168 V173 G185	S144-V170 PolarHBondContact O-N 3.39Å; V149-V170 HydrophobicContact CG2-CG1 3.97Å; V149-V170 HydrophobicContact CG2-CG2 4.24Å; H166-V170 HydrophobicContact CB-CG2 4.36Å; D168-V170 PolarHBondContact O-N 3.35Å; V170-V173 HydrophobicContact CG1-CG1 3.84Å; V170-G185 CarbonylContact C-O 3.5Å; V170-G185 WeakPolarHBondContact CG1-O 3.49Å
171	S	98.9	Very high	98.1	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-31.6	-173.7	61.7	0	0	0	0	113.5	F129 P169 G185 I213 S214	F129-S171 VanDerWaalsContact CD1-O 3.28Å; F129-S171 WeakPolarHBondContact CD1-O 3.32Å; F129-S171 WeakPolarHBondContact CE1-O 3.44Å; P169-S171 PolarHBondContact O-N 2.95Å; S171-G185 PolarHBondContact N-O 3.2Å; S171-G185 VanDerWaalsContact OG-C 3.24Å; S171-G185 PolarHBondContact OG-O 2.9Å; S171-G185 VanDerWaalsContact OG-O 3.08Å; S171-I213 VanDerWaalsContact CB-O 3.25Å; S171-I213 WeakPolarHBondContact CB-O 3.29Å; S171-I213 PolarHBondContact OG-O 3.23Å; S171-S214 WeakPolarHBondContact CB-O 3.49Å
172	A	98.9	Very high	98.1	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.033	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	149.8	178.6	0	0	0	0	0	112.3	C130 S184 G185 F215 V216	C130-A172 WeakPolarHBondContact SG-CA 3.35Å; A172-S184 VanDerWaalsContact O-CA 3.27Å; A172-S184 WeakPolarHBondContact O-CA 3.39Å; A172-G185 PolarHBondContact N-O 3.14Å; A172-G185 PolarHBondContact O-N 3.45Å; A172-F215 HydrophobicContact CB-CD2 3.88Å; A172-F215 HydrophobicContact CB-CE2 4.32Å; A172-F215 HydrophobicContact CB-CG 4.47Å; A172-V216 HydrophobicContact CB-CG1 3.89Å; A172-V216 VanDerWaalsContact CB-N 3.32Å
173	V	98.9	Very high	98.1	Very high	8 Å²	8	29.2 Å²	29.2	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141	172.7	-63.2	0	0	0	0	110.6	C130 I141 V149 V170 V183	C130-V173 HydrophobicContact CB-CG2 4.34Å; I141-V173 HydrophobicContact CB-CG2 4.26Å; I141-V173 HydrophobicContact CD1-CB 3.88Å; I141-V173 HydrophobicContact CD1-CG2 3.95Å; I141-V173 HydrophobicContact CG1-CB 4.28Å; I141-V173 HydrophobicContact CG1-CG2 3.84Å; V149-V173 HydrophobicContact CG1-CG1 4.27Å; V149-V173 HydrophobicContact CG2-CG1 3.82Å; V170-V173 HydrophobicContact CG1-CG1 3.84Å; V173-V183 CarbonylContact C-O 3.52Å; V173-V183 VanDerWaalsContact CA-O 3.3Å; V173-V183 WeakPolarHBondContact CA-O 3.47Å
174	H	98.9	Very high	98.1	Very high	33 Å²	33	28.6 Å²	28.6	15%	0.153	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	138.5	179.6	-159.5	-97	0	0	0	112.4	N132 I182 V183 R217	N132-H174 PolarHBondContact ND2-CD2 2.7Å; N132-H174 VanDerWaalsContact ND2-CD2 3.3Å; H174-I182 CarbonylContact O-C 3.59Å; H174-I182 WeakPolarHBondContact O-CA 3.26Å; H174-V183 HydrophobicContact CB-CG1 3.83Å; H174-V183 PolarHBondContact N-O 2.98Å; H174-V183 PolarHBondContact O-N 2.83Å; H174-R217 HydrophobicContact CB-CB 4.13Å; H174-R217 PolarHBondContact NE2-NH2 2.55Å
175	F	98.7	Very high	98.2	Very high	7 Å²	7	23.4 Å²	23.4	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	150.7	168.8	-81.8	-78.3	0	0	0	111.2	F133 N134 L139 I141 L181 I182 A196	F133-F175 WeakPolarHBondContact O-CD2 3.48Å; N134-F175 VanDerWaalsContact CA-CD2 3.4Å; N134-F175 HydrophobicContact CB-CD1 3.9Å; N134-F175 HydrophobicContact CB-CD2 3.6Å; N134-F175 HydrophobicContact CB-CE1 3.87Å; N134-F175 HydrophobicContact CB-CE2 3.55Å; N134-F175 HydrophobicContact CB-CG 3.76Å; N134-F175 HydrophobicContact CB-CZ 3.7Å; L139-F175 HydrophobicContact CB-CZ 4.26Å; I141-F175 HydrophobicContact CB-CD2 4.48Å; I141-F175 HydrophobicContact CB-CE2 3.83Å; I141-F175 HydrophobicContact CB-CZ 4.33Å; I141-F175 HydrophobicContact CD1-CD2 3.43Å; I141-F175 VanDerWaalsContact CD1-CD2 3.43Å; I141-F175 HydrophobicContact CD1-CE2 3.66Å; I141-F175 HydrophobicContact CD1-CG 4.07Å; I141-F175 HydrophobicContact CD1-CZ 4.42Å; I141-F175 HydrophobicContact CG1-CD2 3.67Å; I141-F175 HydrophobicContact CG1-CE2 3.47Å; I141-F175 VanDerWaalsContact CG1-CE2 3.47Å; I141-F175 HydrophobicContact CG1-CZ 4.37Å; I141-F175 HydrophobicContact CG2-CD2 4.17Å; I141-F175 HydrophobicContact CG2-CE1 4.2Å; I141-F175 HydrophobicContact CG2-CE2 3.25Å; I141-F175 HydrophobicContact CG2-CZ 3.27Å; F175-L181 CarbonylContact C-O 3.58Å; F175-L181 WeakPolarHBondContact CA-O 3.2Å; F175-I182 HydrophobicContact CD1-CG1 3.66Å; F175-I182 HydrophobicContact CE1-CD1 3.8Å; F175-I182 HydrophobicContact CE1-CG1 3.42Å; F175-I182 VanDerWaalsContact CE1-CG1 3.42Å; F175-I182 HydrophobicContact CG-CG1 4.4Å; F175-I182 HydrophobicContact CZ-CD1 4.05Å; F175-I182 HydrophobicContact CZ-CG1 3.99Å; F175-A196 HydrophobicContact CE1-CB 3.93Å
176	N	98.3	Very high	98.3	Very high	11 Å²	11	23.4 Å²	23.4	6%	0.059	15%	0.149	C	C	.	.			trans	-75.5	172.1	164.6	74.5	-16.9	0	0	0	111.1	P135 S178 G179 S180 L181 F218	P135-N176 WeakPolarHBondContact CG-O 3.48Å; N176-S178 PolarHBondContact ND2-OG 2.97Å; N176-S178 PolarHBondContact O-N 3.03Å; N176-S178 VanDerWaalsContact O-N 3.15Å; N176-S178 PolarHBondContact OD1-OG 2.95Å; N176-G179 PolarHBondContact O-N 3.43Å; N176-G179 WeakPolarHBondContact OD1-CA 3.17Å; N176-G179 PolarHBondContact OD1-N 2.96Å; N176-S180 PolarHBondContact ND2-OG 2.76Å; N176-S180 PolarHBondContact OD1-N 2.83Å; N176-L181 HydrophobicContact CB-CB 4.17Å; N176-L181 PolarHBondContact N-O 2.91Å; N176-L181 PolarHBondContact OD1-N 3.4Å; N176-L181 PolarHBondContact OD1-O 3.17Å; N176-F218 HydrophobicContact CB-CD1 4.14Å; N176-F218 HydrophobicContact CB-CD2 3.71Å; N176-F218 HydrophobicContact CB-CE1 4.25Å; N176-F218 HydrophobicContact CB-CE2 3.8Å; N176-F218 HydrophobicContact CB-CG 3.87Å; N176-F218 HydrophobicContact CB-CZ 4.09Å
177	C	94.9	Very high	98.3	Very high	76 Å²	76	26 Å²	26	51%	0.514	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.6	-176	60.8	0	0	0	0	114.8	P135	P135-C177 VanDerWaalsContact CG-O 3.29Å; P135-C177 WeakPolarHBondContact CG-O 3.29Å
178	S	95.6	Very high	98.2	Very high	74 Å²	74	23.2 Å²	23.2	52%	0.517	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-12.1	174	56.6	0	0	0	0	113.5	N176 S180	N176-S178 PolarHBondContact ND2-OG 2.97Å; N176-S178 PolarHBondContact O-N 3.03Å; N176-S178 VanDerWaalsContact O-N 3.15Å; N176-S178 PolarHBondContact OD1-OG 2.95Å; S178-S180 PolarHBondContact O-N 2.84Å; S178-S180 PolarHBondContact OG-OG 2.76Å
179	G	96.7	Very high	98.2	Very high	11 Å²	11	20 Å²	20	11%	0.113	12%	0.122	C	C	.	.	S	Bend	trans	72.4	7.5	-173.3	0	0	0	0	0	114.7	N176 A196	N176-G179 PolarHBondContact O-N 3.43Å; N176-G179 WeakPolarHBondContact OD1-CA 3.17Å; N176-G179 PolarHBondContact OD1-N 2.96Å; G179-A196 WeakPolarHBondContact O-CB 3.41Å
180	S	97.4	Very high	98.2	Very high	55 Å²	55	20.1 Å²	20.1	39%	0.385	12%	0.121	S	C	.	.	S	Bend	trans	-83.7	-26.1	-179.6	56.1	0	0	0	0	112.9	N176 S178 A196	N176-S180 PolarHBondContact ND2-OG 2.76Å; N176-S180 PolarHBondContact OD1-N 2.83Å; S178-S180 PolarHBondContact O-N 2.84Å; S178-S180 PolarHBondContact OG-OG 2.76Å; S180-A196 WeakPolarHBondContact O-CB 3.48Å; S180-A196 PolarHBondContact O-N 2.68Å
181	L	98.5	Very high	98.2	Very high	24 Å²	24	20.1 Å²	20.1	13%	0.126	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.5	179.9	-57.5	-179.8	0	0	0	111	F175 N176 I193 W194 L202 F218 Y239	F175-L181 CarbonylContact C-O 3.58Å; F175-L181 WeakPolarHBondContact CA-O 3.2Å; N176-L181 HydrophobicContact CB-CB 4.17Å; N176-L181 PolarHBondContact N-O 2.91Å; N176-L181 PolarHBondContact OD1-N 3.4Å; N176-L181 PolarHBondContact OD1-O 3.17Å; L181-I193 HydrophobicContact CB-CG2 4.41Å; L181-I193 HydrophobicContact CD1-CG2 4.29Å; L181-I193 HydrophobicContact CD2-CG2 4.44Å; L181-W194 WeakPolarHBondContact CA-O 3.46Å; L181-L202 HydrophobicContact CD2-CD1 3.48Å; L181-L202 VanDerWaalsContact CD2-CD1 3.48Å; L181-F218 HydrophobicContact CB-CE2 4.3Å; L181-F218 HydrophobicContact CB-CZ 3.92Å; L181-Y239 HydrophobicContact CD1-CE2 4.13Å
182	I	98.8	Very high	98.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.5	167.9	-62.1	159.8	0	0	0	107.5	I141 I151 H174 F175 I193 W194 A196	I141-I182 HydrophobicContact CD1-CG1 4.44Å; I141-I182 HydrophobicContact CD1-CG2 3.96Å; I141-I182 HydrophobicContact CG2-CD1 3.57Å; I141-I182 HydrophobicContact CG2-CG1 4.03Å; I151-I182 HydrophobicContact CD1-CD1 3.58Å; I151-I182 HydrophobicContact CG1-CD1 3.96Å; H174-I182 CarbonylContact O-C 3.59Å; H174-I182 WeakPolarHBondContact O-CA 3.26Å; F175-I182 HydrophobicContact CD1-CG1 3.66Å; F175-I182 HydrophobicContact CE1-CD1 3.8Å; F175-I182 HydrophobicContact CE1-CG1 3.42Å; F175-I182 VanDerWaalsContact CE1-CG1 3.42Å; F175-I182 HydrophobicContact CG-CG1 4.4Å; F175-I182 HydrophobicContact CZ-CD1 4.05Å; F175-I182 HydrophobicContact CZ-CG1 3.99Å; I182-I193 CarbonylContact O-C 3.55Å; I182-I193 WeakPolarHBondContact O-CA 3.33Å; I182-W194 HydrophobicContact CB-CB 4.24Å; I182-W194 PolarHBondContact N-O 2.9Å; I182-W194 PolarHBondContact O-N 3.26Å; I182-A196 HydrophobicContact CD1-CB 4Å; I182-A196 HydrophobicContact CG1-CB 4.19Å
183	V	98.9	Very high	98.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.4	164.4	64.1	0	0	0	0	108.9	V173 H174 C191 R192 V216 F218 I225	V173-V183 CarbonylContact C-O 3.52Å; V173-V183 VanDerWaalsContact CA-O 3.3Å; V173-V183 WeakPolarHBondContact CA-O 3.47Å; H174-V183 HydrophobicContact CB-CG1 3.83Å; H174-V183 PolarHBondContact N-O 2.98Å; H174-V183 PolarHBondContact O-N 2.83Å; V183-C191 WeakPolarHBondContact CG2-SG 3.36Å; V183-R192 CarbonylContact C-O 3.58Å; V183-R192 VanDerWaalsContact CA-O 3.31Å; V183-R192 WeakPolarHBondContact CA-O 3.42Å; V183-V216 HydrophobicContact CB-CG2 4.46Å; V183-V216 HydrophobicContact CG1-CG1 4.24Å; V183-V216 HydrophobicContact CG1-CG2 4.1Å; V183-V216 HydrophobicContact CG2-CB 4.44Å; V183-V216 HydrophobicContact CG2-CG1 4.04Å; V183-V216 HydrophobicContact CG2-CG2 3.49Å; V183-V216 VanDerWaalsContact CG2-CG2 3.49Å; V183-F218 HydrophobicContact CB-CD2 4.17Å; V183-F218 HydrophobicContact CB-CE2 3.59Å; V183-F218 HydrophobicContact CB-CZ 3.86Å; V183-F218 HydrophobicContact CG1-CD2 3.6Å; V183-F218 HydrophobicContact CG1-CE2 3.54Å; V183-F218 HydrophobicContact CG1-CG 4.35Å; V183-F218 HydrophobicContact CG1-CZ 4.22Å; V183-I225 HydrophobicContact CB-CD1 4.27Å; V183-I225 HydrophobicContact CG2-CD1 3.82Å; V183-I225 HydrophobicContact CG2-CG1 4.5Å; V183-I225 HydrophobicContact CG2-CG2 4.24Å
184	S	98.9	Very high	98.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.4	170.8	62.8	0	0	0	0	111	H166 A172 C191 R192 W194	H166-S184 WeakPolarHBondContact NE2-CB 3.45Å; H166-S184 PolarHBondContact NE2-OG 2.73Å; A172-S184 VanDerWaalsContact O-CA 3.27Å; A172-S184 WeakPolarHBondContact O-CA 3.39Å; S184-C191 CarbonylContact O-C 3.52Å; S184-C191 VanDerWaalsContact O-CA 3.31Å; S184-C191 WeakPolarHBondContact O-CA 3.33Å; S184-R192 PolarHBondContact N-O 3.39Å; S184-R192 PolarHBondContact O-N 2.81Å; S184-W194 PolarHBondContact OG-NE1 3.42Å
185	G	98.8	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.4	173.4	0	0	0	0	0	109.8	V170 S171 A172 V216	V170-G185 CarbonylContact C-O 3.5Å; V170-G185 WeakPolarHBondContact CG1-O 3.49Å; S171-G185 PolarHBondContact N-O 3.2Å; S171-G185 VanDerWaalsContact OG-C 3.24Å; S171-G185 PolarHBondContact OG-O 2.9Å; S171-G185 VanDerWaalsContact OG-O 3.08Å; A172-G185 PolarHBondContact N-O 3.14Å; A172-G185 PolarHBondContact O-N 3.45Å; G185-V216 VanDerWaalsContact N-CG1 3.29Å
186	S	98.8	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	163	-177	167	0	0	0	0	112	H166 D168 P169 D188 G189 L190 I213	H166-S186 WeakPolarHBondContact ND1-CB 3.48Å; D168-S186 VanDerWaalsContact C-OG 3.29Å; D168-S186 PolarHBondContact O-OG 3.25Å; P169-S186 WeakPolarHBondContact O-CA 3.41Å; P169-S186 WeakPolarHBondContact O-CB 3.3Å; P169-S186 PolarHBondContact O-OG 3.05Å; S186-D188 VanDerWaalsContact CB-OD1 3.3Å; S186-D188 WeakPolarHBondContact CB-OD1 3.35Å; S186-D188 PolarHBondContact O-N 3.25Å; S186-D188 PolarHBondContact OG-N 3.12Å; S186-D188 VanDerWaalsContact OG-N 3.1Å; S186-D188 PolarHBondContact OG-OD1 2.98Å; S186-G189 PolarHBondContact O-N 3.19Å; S186-G189 VanDerWaalsContact O-N 3.12Å; S186-L190 PolarHBondContact N-O 3.04Å; S186-I213 CarbonylContact C-O 3.57Å; S186-I213 WeakPolarHBondContact O-CB 3.17Å; S186-I213 PolarHBondContact O-N 3.14Å
187	Y	98.6	Very high	97.9	Very high	69 Å²	69	26.2 Å²	26.2	27%	0.271	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.9	168.6	-73.8	-92.1	0	0	0	113.8	P169 G189 P212 L230 C257	P169-Y187 HydrophobicContact CB-CD2 4Å; P169-Y187 WeakPolarHBondContact O-CD2 3.48Å; P169-Y187 PolarHBondContact O-N 2.98Å; Y187-G189 PolarHBondContact O-N 3.45Å; Y187-G189 VanDerWaalsContact O-N 3.13Å; Y187-P212 HydrophobicContact CD1-CB 3.85Å; Y187-P212 HydrophobicContact CG-CB 4.48Å; Y187-L230 HydrophobicContact CD1-CD1 4.21Å; Y187-L230 HydrophobicContact CE1-CD1 3.67Å; Y187-C257 PolarHBondContact OH-SG 3.49Å
188	D	98.4	Very high	98.1	Very high	13 Å²	13	25.4 Å²	25.4	7%	0.07	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-3.3	171	68.7	8.8	0	0	0	113.3	H166 S167 D168 S186 L190 N210	H166-D188 WeakPolarHBondContact CA-OD2 3.18Å; H166-D188 VanDerWaalsContact CB-OD2 3.24Å; H166-D188 WeakPolarHBondContact CB-OD2 3.44Å; H166-D188 IonicContact CE1-OD1 3.69Å; H166-D188 IonicContact CG-OD2 3.19Å; H166-D188 IonicContact ND1-OD1 3.13Å; H166-D188 PolarHBondContact ND1-OD1 2.88Å; H166-D188 IonicContact ND1-OD2 3.95Å; H166-D188 PolarHBondContact ND1-OD2 2.7Å; S167-D188 PolarHBondContact N-OD2 2.91Å; S167-D188 VanDerWaalsContact N-OD2 3.17Å; S167-D188 WeakPolarHBondContact OG-CB 3.27Å; D168-D188 HydrophobicContact CB-CB 3.99Å; S186-D188 VanDerWaalsContact CB-OD1 3.3Å; S186-D188 WeakPolarHBondContact CB-OD1 3.35Å; S186-D188 PolarHBondContact O-N 3.25Å; S186-D188 PolarHBondContact OG-N 3.12Å; S186-D188 VanDerWaalsContact OG-N 3.1Å; S186-D188 PolarHBondContact OG-OD1 2.98Å; D188-L190 VanDerWaalsContact C-N 3.29Å; D188-L190 PolarHBondContact O-N 3.48Å; D188-L190 WeakPolarHBondContact OD1-CA 3.5Å; D188-L190 VanDerWaalsContact OD1-CB 3.23Å; D188-L190 WeakPolarHBondContact OD1-CB 3.35Å; D188-L190 PolarHBondContact OD1-N 3.46Å; D188-N210 PolarHBondContact O-ND2 3.42Å
189	G	98	Very high	98.1	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.031	14%	0.136	C	C	.	.	S	Bend	trans	82.9	-0.2	179.8	0	0	0	0	0	114.2	S186 Y187 N210 P211 I213	S186-G189 PolarHBondContact O-N 3.19Å; S186-G189 VanDerWaalsContact O-N 3.12Å; Y187-G189 PolarHBondContact O-N 3.45Å; Y187-G189 VanDerWaalsContact O-N 3.13Å; G189-N210 VanDerWaalsContact CA-OD1 3.29Å; G189-N210 WeakPolarHBondContact CA-OD1 3.16Å; G189-N210 PolarHBondContact O-OD1 3.41Å; G189-P211 WeakPolarHBondContact CA-O 3.2Å; G189-I213 VanDerWaalsContact O-CD1 3.32Å; G189-I213 WeakPolarHBondContact O-CD1 3.25Å
190	L	98.3	Very high	98.2	Very high	28 Å²	28	27.9 Å²	27.9	15%	0.147	16%	0.159	C	C	.	.			trans	-98.8	140.6	-174	-53.3	179.4	0	0	0	112.4	H166 S186 D188 T204 V206 I213	H166-L190 PolarHBondContact CE1-O 2.59Å; H166-L190 VanDerWaalsContact CE1-O 3.3Å; S186-L190 PolarHBondContact N-O 3.04Å; D188-L190 VanDerWaalsContact C-N 3.29Å; D188-L190 PolarHBondContact O-N 3.48Å; D188-L190 WeakPolarHBondContact OD1-CA 3.5Å; D188-L190 VanDerWaalsContact OD1-CB 3.23Å; D188-L190 WeakPolarHBondContact OD1-CB 3.35Å; D188-L190 PolarHBondContact OD1-N 3.46Å; L190-T204 HydrophobicContact CB-CG2 4.18Å; L190-T204 HydrophobicContact CD1-CG2 4.27Å; L190-T204 HydrophobicContact CD2-CG2 4.06Å; L190-T204 HydrophobicContact CG-CG2 4.42Å; L190-V206 HydrophobicContact CD2-CB 4.08Å; L190-V206 HydrophobicContact CD2-CG2 3.9Å; L190-I213 VanDerWaalsContact C-CD1 3.48Å
191	C	98.4	Very high	98.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.5	166.2	167.1	0	0	0	0	108.7	V183 S184 T204 L205 I213 T227	V183-C191 WeakPolarHBondContact CG2-SG 3.36Å; S184-C191 CarbonylContact O-C 3.52Å; S184-C191 VanDerWaalsContact O-CA 3.31Å; S184-C191 WeakPolarHBondContact O-CA 3.33Å; C191-T204 CarbonylContact O-C 3.5Å; C191-T204 WeakPolarHBondContact O-CA 3.45Å; C191-L205 HydrophobicContact CB-CB 4.09Å; C191-L205 PolarHBondContact N-O 2.99Å; C191-L205 PolarHBondContact O-N 2.81Å; C191-I213 HydrophobicContact CB-CD1 3.6Å; C191-T227 HydrophobicContact CB-CG2 4.35Å
192	R	98.8	Very high	98.2	Very high	52 Å²	52	31.5 Å²	31.5	20%	0.196	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.3	-177.1	-70.7	179.2	179.6	166.3	6.6	111.2	A165 V183 S184 W194 K203 T204	A165-R192 VanDerWaalsContact C-NH1 3.3Å; A165-R192 WeakPolarHBondContact O-CD 3.29Å; A165-R192 PolarHBondContact O-NH1 2.99Å; V183-R192 CarbonylContact C-O 3.58Å; V183-R192 VanDerWaalsContact CA-O 3.31Å; V183-R192 WeakPolarHBondContact CA-O 3.42Å; S184-R192 PolarHBondContact N-O 3.39Å; S184-R192 PolarHBondContact O-N 2.81Å; R192-W194 HydrophobicContact CB-CZ2 3.54Å; R192-W194 HydrophobicContact CG-CZ2 4.16Å; R192-W194 PolarHBondContact O-NE1 2.88Å; R192-K203 WeakPolarHBondContact CA-O 3.47Å; R192-T204 HydrophobicContact CG-CG2 4.13Å
193	I	98.8	Very high	98.1	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.7	178.1	-55	174.4	0	0	0	108	L181 I182 L202 K203 L205 F218 I225 Y239	L181-I193 HydrophobicContact CB-CG2 4.41Å; L181-I193 HydrophobicContact CD1-CG2 4.29Å; L181-I193 HydrophobicContact CD2-CG2 4.44Å; I182-I193 CarbonylContact O-C 3.55Å; I182-I193 WeakPolarHBondContact O-CA 3.33Å; I193-L202 PolarHBondContact O-N 3.18Å; I193-K203 HydrophobicContact CB-CB 4.31Å; I193-K203 HydrophobicContact CD1-CB 4.31Å; I193-K203 PolarHBondContact N-O 2.67Å; I193-K203 PolarHBondContact O-N 2.93Å; I193-L205 HydrophobicContact CD1-CD1 4.48Å; I193-F218 HydrophobicContact CG2-CZ 4.46Å; I193-I225 HydrophobicContact CD1-CD1 3.55Å; I193-I225 HydrophobicContact CG1-CD1 3.9Å; I193-Y239 VanDerWaalsContact CD1-CB 3.48Å; I193-Y239 HydrophobicContact CD1-CD2 3.55Å; I193-Y239 HydrophobicContact CD1-CE2 4.5Å; I193-Y239 HydrophobicContact CD1-CG 3.7Å
194	W	98.8	Very high	98	Very high	13 Å²	13	38 Å²	38	5%	0.049	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.3	-172.7	-45.5	82.3	0	0	0	110.2	L163 A165 L181 I182 S184 R192 Q200 C201	L163-W194 HydrophobicContact CB-CZ3 4.38Å; L163-W194 HydrophobicContact CD1-CB 4.36Å; L163-W194 HydrophobicContact CD1-CD2 3.93Å; L163-W194 HydrophobicContact CD1-CE3 3.92Å; L163-W194 HydrophobicContact CD1-CG 4.12Å; A165-W194 HydrophobicContact CB-CH2 4.08Å; A165-W194 HydrophobicContact CB-CZ2 3.71Å; A165-W194 WeakPolarHBondContact O-CZ2 3.42Å; L181-W194 WeakPolarHBondContact CA-O 3.46Å; I182-W194 HydrophobicContact CB-CB 4.24Å; I182-W194 PolarHBondContact N-O 2.9Å; I182-W194 PolarHBondContact O-N 3.26Å; S184-W194 PolarHBondContact OG-NE1 3.42Å; R192-W194 HydrophobicContact CB-CZ2 3.54Å; R192-W194 HydrophobicContact CG-CZ2 4.16Å; R192-W194 PolarHBondContact O-NE1 2.88Å; W194-Q200 VanDerWaalsContact CA-O 3.31Å; W194-Q200 WeakPolarHBondContact CA-O 3.31Å; W194-C201 HydrophobicContact CD2-CB 4.45Å; W194-C201 HydrophobicContact CE3-CB 3.75Å; W194-C201 HydrophobicContact CH2-CB 4.08Å; W194-C201 HydrophobicContact CZ3-CB 3.55Å
195	D	98.3	Very high	97.9	Very high	43 Å²	43	38.4 Å²	38.4	23%	0.23	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	122.4	164.6	175.6	-104.4	0	0	0	109.3	A197 S198 G199 Q200 L202	D195-A197 VanDerWaalsContact C-N 3.3Å; D195-A197 PolarHBondContact O-N 3.07Å; D195-A197 PolarHBondContact OD1-N 2.79Å; D195-S198 WeakPolarHBondContact CB-OG 3.19Å; D195-S198 WeakPolarHBondContact OD1-CB 3.29Å; D195-S198 PolarHBondContact OD1-N 2.69Å; D195-S198 PolarHBondContact OD1-OG 2.91Å; D195-G199 VanDerWaalsContact O-CA 3.24Å; D195-G199 WeakPolarHBondContact O-CA 3.27Å; D195-G199 PolarHBondContact O-N 2.73Å; D195-Q200 PolarHBondContact N-O 2.81Å; D195-L202 HydrophobicContact CB-CD1 4Å; D195-L202 HydrophobicContact CB-CD2 4.11Å; D195-L202 HydrophobicContact CB-CG 4.06Å
196	A	97	Very high	97.6	Very high	10 Å²	10	42.5 Å²	42.5	8%	0.083	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-30.1	-174.1	0	0	0	0	0	113.1	F175 G179 S180 I182	F175-A196 HydrophobicContact CE1-CB 3.93Å; G179-A196 WeakPolarHBondContact O-CB 3.41Å; S180-A196 WeakPolarHBondContact O-CB 3.48Å; S180-A196 PolarHBondContact O-N 2.68Å; I182-A196 HydrophobicContact CD1-CB 4Å; I182-A196 HydrophobicContact CG1-CB 4.19Å
197	A	96.4	Very high	96.9	Very high	76 Å²	76	43.8 Å²	43.8	63%	0.628	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-47	-176.3	0	0	0	0	0	112	K161 D195	K161-A197 WeakPolarHBondContact CE-O 3.04Å; K161-A197 PolarHBondContact NZ-O 3.29Å; D195-A197 VanDerWaalsContact C-N 3.3Å; D195-A197 PolarHBondContact O-N 3.07Å; D195-A197 PolarHBondContact OD1-N 2.79Å
198	S	97.2	Very high	96.1	Very high	58 Å²	58	48.3 Å²	48.3	41%	0.406	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-27.7	-177.5	66.4	0	0	0	0	113.4	K161 D195 Q200	K161-S198 VanDerWaalsContact CE-O 3.25Å; K161-S198 WeakPolarHBondContact CE-O 3.22Å; D195-S198 WeakPolarHBondContact CB-OG 3.19Å; D195-S198 WeakPolarHBondContact OD1-CB 3.29Å; D195-S198 PolarHBondContact OD1-N 2.69Å; D195-S198 PolarHBondContact OD1-OG 2.91Å; S198-Q200 VanDerWaalsContact C-N 3.27Å; S198-Q200 PolarHBondContact OG-N 3.33Å
199	G	96.4	Very high	95.6	Very high	9 Å²	9	54.5 Å²	54.5	9%	0.093	31%	0.307	C	S	.	.			trans	77.9	7.9	-171.8	0	0	0	0	0	113.9	L163 D195	L163-G199 WeakPolarHBondContact CD2-O 3.31Å; D195-G199 VanDerWaalsContact O-CA 3.24Å; D195-G199 WeakPolarHBondContact O-CA 3.27Å; D195-G199 PolarHBondContact O-N 2.73Å
200	Q	97.9	Very high	95.3	Very high	129 Å²	129	57.3 Å²	57.3	60%	0.603	32%	0.321	S	S	*	.			trans	-75.8	141.6	179.8	-65.8	-61.8	-38.7	0	0	111.3	W194 D195 S198 L202	W194-Q200 VanDerWaalsContact CA-O 3.31Å; W194-Q200 WeakPolarHBondContact CA-O 3.31Å; D195-Q200 PolarHBondContact N-O 2.81Å; S198-Q200 VanDerWaalsContact C-N 3.27Å; S198-Q200 PolarHBondContact OG-N 3.33Å; Q200-L202 PolarHBondContact O-N 3.14Å
201	C	98.2	Very high	95.3	Very high	53 Å²	53	56.8 Å²	56.8	36%	0.358	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	117.5	170.6	-168.7	0	0	0	0	108.9	W194	W194-C201 HydrophobicContact CD2-CB 4.45Å; W194-C201 HydrophobicContact CE3-CB 3.75Å; W194-C201 HydrophobicContact CH2-CB 4.08Å; W194-C201 HydrophobicContact CZ3-CB 3.55Å
202	L	97.9	Very high	95.3	Very high	102 Å²	102	58.9 Å²	58.9	53%	0.534	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-33.9	178.5	-61.9	-179.5	0	0	0	112	L181 I193 D195 Q200	L181-L202 HydrophobicContact CD2-CD1 3.48Å; L181-L202 VanDerWaalsContact CD2-CD1 3.48Å; I193-L202 PolarHBondContact O-N 3.18Å; D195-L202 HydrophobicContact CB-CD1 4Å; D195-L202 HydrophobicContact CB-CD2 4.11Å; D195-L202 HydrophobicContact CB-CG 4.06Å; Q200-L202 PolarHBondContact O-N 3.14Å
203	K	97.2	Very high	95.3	Very high	71 Å²	71	56.9 Å²	56.9	31%	0.309	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	144.9	-175.2	-167.3	166.5	-115.7	178.6	0	111.4	R192 I193 L205 Y239 S240	R192-K203 WeakPolarHBondContact CA-O 3.47Å; I193-K203 HydrophobicContact CB-CB 4.31Å; I193-K203 HydrophobicContact CD1-CB 4.31Å; I193-K203 PolarHBondContact N-O 2.67Å; I193-K203 PolarHBondContact O-N 2.93Å; K203-L205 HydrophobicContact CD-CD2 3.98Å; K203-L205 HydrophobicContact CG-CD2 4.18Å; K203-Y239 WeakPolarHBondContact CD-O 3.31Å; K203-Y239 PolarHBondContact NZ-O 2.86Å; K203-S240 PolarHBondContact NZ-O 2.85Å
204	T	97.6	Very high	95.3	Very high	64 Å²	64	56.7 Å²	56.7	39%	0.393	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.8	166	-59.7	0	0	0	0	107.8	L190 C191 R192	L190-T204 HydrophobicContact CB-CG2 4.18Å; L190-T204 HydrophobicContact CD1-CG2 4.27Å; L190-T204 HydrophobicContact CD2-CG2 4.06Å; L190-T204 HydrophobicContact CG-CG2 4.42Å; C191-T204 CarbonylContact O-C 3.5Å; C191-T204 WeakPolarHBondContact O-CA 3.45Å; R192-T204 HydrophobicContact CG-CG2 4.13Å
205	L	95.3	Very high	95.3	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.052	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.3	168.9	-56.9	-178.3	0	0	0	107.2	C191 I193 K203 I225 W237	C191-L205 HydrophobicContact CB-CB 4.09Å; C191-L205 PolarHBondContact N-O 2.99Å; C191-L205 PolarHBondContact O-N 2.81Å; I193-L205 HydrophobicContact CD1-CD1 4.48Å; K203-L205 HydrophobicContact CD-CD2 3.98Å; K203-L205 HydrophobicContact CG-CD2 4.18Å; L205-I225 HydrophobicContact CD1-CD1 4.24Å; L205-W237 HydrophobicContact CD1-CB 4.19Å; L205-W237 HydrophobicContact CD1-CG 4.36Å
206	V	92.6	Very high	95.3	Very high	85 Å²	85	54.6 Å²	54.6	52%	0.515	31%	0.314	S	S	.	.			trans	-132	145.5	176.8	64.1	0	0	0	0	107.5	L190 N210	L190-V206 HydrophobicContact CD2-CB 4.08Å; L190-V206 HydrophobicContact CD2-CG2 3.9Å; V206-N210 HydrophobicContact CG2-CB 4.38Å
207	D	84.4	Confident	95.4	Very high	28 Å²	28	55.9 Å²	55.9	15%	0.15	32%	0.317	C	S	.	.			trans	-107.9	154.1	175.8	-169.8	31.5	0	0	0	108.6	D209 N210 K235 W237	D207-D209 VanDerWaalsContact C-N 3.26Å; D207-D209 PolarHBondContact O-N 2.81Å; D207-D209 VanDerWaalsContact O-N 3.16Å; D207-N210 PolarHBondContact O-N 2.72Å; D207-K235 IonicContact OD1-NZ 2.88Å; D207-K235 PolarHBondContact OD1-NZ 2.86Å; D207-K235 VanDerWaalsContact OD1-NZ 3.08Å; D207-K235 IonicContact OD2-NZ 3.44Å; D207-K235 PolarHBondContact OD2-NZ 3.24Å; D207-W237 HydrophobicContact CB-CH2 4.18Å; D207-W237 HydrophobicContact CB-CZ2 4.2Å
208	D	82.3	Confident	95.5	Very high	163 Å²	163	52.5 Å²	52.5	87%	0.872	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-37.2	-166.1	-66.4	-32.2	0	0	0	113
209	D	88.2	Confident	95.5	Very high	144 Å²	144	50 Å²	50	77%	0.77	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-8.5	-179.5	-62.5	-39.8	0	0	0	113.8	D207 P211	D207-D209 VanDerWaalsContact C-N 3.26Å; D207-D209 PolarHBondContact O-N 2.81Å; D207-D209 VanDerWaalsContact O-N 3.16Å; D209-P211 VanDerWaalsContact C-CD 3.42Å
210	N	92.4	Very high	95.6	Very high	61 Å²	61	53.3 Å²	53.3	33%	0.326	29%	0.29	S	S	.	.			trans	42.8	49.8	-179	-162.4	52.3	0	0	0	115.8	D188 G189 V206 D207	D188-N210 PolarHBondContact O-ND2 3.42Å; G189-N210 VanDerWaalsContact CA-OD1 3.29Å; G189-N210 WeakPolarHBondContact CA-OD1 3.16Å; G189-N210 PolarHBondContact O-OD1 3.41Å; V206-N210 HydrophobicContact CG2-CB 4.38Å; D207-N210 PolarHBondContact O-N 2.72Å
211	P	96.8	Very high	95.4	Very high	18 Å²	18	51.2 Å²	51.2	12%	0.117	28%	0.283	C	S	.	.			trans	-66.4	151.8	175.7	29.9	-35.6	0	0	0	110.9	G189 D209 I213 T229 D231	G189-P211 WeakPolarHBondContact CA-O 3.2Å; D209-P211 VanDerWaalsContact C-CD 3.42Å; P211-I213 PolarHBondContact O-N 3.08Å; P211-T229 HydrophobicContact CG-CG2 3.81Å; P211-D231 HydrophobicContact CB-CB 4.2Å
212	P	98.4	Very high	95.3	Very high	45 Å²	45	49 Å²	49	29%	0.292	27%	0.269	S	S	.	.			trans	-51.4	126.7	177.3	-29.1	36.1	0	0	0	112.2	Y187 S214 T229 L230	Y187-P212 HydrophobicContact CD1-CB 3.85Å; Y187-P212 HydrophobicContact CG-CB 4.48Å; P212-S214 PolarHBondContact O-N 3.41Å; P212-T229 VanDerWaalsContact O-CA 3.29Å; P212-T229 WeakPolarHBondContact O-CA 3.41Å; P212-L230 HydrophobicContact CB-CB 4.29Å; P212-L230 HydrophobicContact CB-CD1 3.98Å; P212-L230 HydrophobicContact CB-CG 4.14Å; P212-L230 PolarHBondContact O-N 2.91Å
213	I	98.6	Very high	95.2	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.046	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116	175	-64.4	-175.5	0	0	0	107.7	S171 S186 G189 L190 C191 P211 F215 T227 A228 T229	S171-I213 VanDerWaalsContact CB-O 3.25Å; S171-I213 WeakPolarHBondContact CB-O 3.29Å; S171-I213 PolarHBondContact OG-O 3.23Å; S186-I213 CarbonylContact C-O 3.57Å; S186-I213 WeakPolarHBondContact O-CB 3.17Å; S186-I213 PolarHBondContact O-N 3.14Å; G189-I213 VanDerWaalsContact O-CD1 3.32Å; G189-I213 WeakPolarHBondContact O-CD1 3.25Å; L190-I213 VanDerWaalsContact C-CD1 3.48Å; C191-I213 HydrophobicContact CB-CD1 3.6Å; P211-I213 PolarHBondContact O-N 3.08Å; I213-F215 WeakPolarHBondContact CG2-O 3.33Å; I213-T227 HydrophobicContact CD1-CG2 4.49Å; I213-A228 CarbonylContact C-O 3.56Å; I213-A228 WeakPolarHBondContact CA-O 3.41Å; I213-T229 HydrophobicContact CG1-CG2 3.91Å
214	S	98.6	Very high	95.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-15.9	-178.4	81.7	0	0	0	0	113.2	S171 P212 A228 L230 N253 Y256 C257	S171-S214 WeakPolarHBondContact CB-O 3.49Å; P212-S214 PolarHBondContact O-N 3.41Å; S214-A228 PolarHBondContact N-O 2.55Å; S214-L230 VanDerWaalsContact CB-CD2 3.4Å; S214-N253 PolarHBondContact OG-ND2 2.96Å; S214-Y256 PolarHBondContact OG-O 3.23Å; S214-C257 WeakPolarHBondContact O-CA 3.37Å; S214-C257 WeakPolarHBondContact O-CB 3.31Å; S214-C257 PolarHBondContact O-SG 3.47Å
215	F	98.8	Very high	95.3	Very high	11 Å²	11	47.7 Å²	47.7	5%	0.048	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	150.1	173	-177.2	-101.2	0	0	0	112.4	A172 I213 R217 T227 A228 I258 F259 A260	A172-F215 HydrophobicContact CB-CD2 3.88Å; A172-F215 HydrophobicContact CB-CE2 4.32Å; A172-F215 HydrophobicContact CB-CG 4.47Å; I213-F215 WeakPolarHBondContact CG2-O 3.33Å; F215-R217 HydrophobicContact CE1-CB 4.08Å; F215-R217 HydrophobicContact CE1-CG 3.98Å; F215-R217 HydrophobicContact CZ-CB 4.1Å; F215-R217 HydrophobicContact CZ-CG 4.34Å; F215-T227 CarbonylContact O-C 3.54Å; F215-T227 VanDerWaalsContact O-CA 3.32Å; F215-T227 WeakPolarHBondContact O-CA 3.44Å; F215-A228 HydrophobicContact CB-CB 3.84Å; F215-A228 PolarHBondContact N-O 3.32Å; F215-A228 PolarHBondContact O-N 3.15Å; F215-I258 WeakPolarHBondContact CB-O 3.43Å; F215-F259 AromaticContact CD2-CD1 3.92Å; F215-F259 HydrophobicContact CD2-CD1 3.92Å; F215-F259 HydrophobicContact CD2-CE1 4.37Å; F215-F259 HydrophobicContact CD2-CG 4.32Å; F215-F259 HydrophobicContact CE2-CB 4.35Å; F215-F259 AromaticContact CE2-CD1 3.31Å; F215-F259 HydrophobicContact CE2-CD1 3.31Å; F215-F259 AromaticContact CE2-CE1 3.83Å; F215-F259 HydrophobicContact CE2-CE1 3.83Å; F215-F259 HydrophobicContact CE2-CG 4.06Å; F215-F259 HydrophobicContact CZ-CD1 4.03Å; F215-A260 HydrophobicContact CD1-CB 3.99Å; F215-A260 HydrophobicContact CE1-CB 4.15Å; F215-A260 WeakPolarHBondContact CE1-O 3.23Å
216	V	98.8	Very high	95.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	143.8	172.4	69.9	0	0	0	0	112.6	A172 V183 G185 I225 L226 T227	A172-V216 HydrophobicContact CB-CG1 3.89Å; A172-V216 VanDerWaalsContact CB-N 3.32Å; V183-V216 HydrophobicContact CB-CG2 4.46Å; V183-V216 HydrophobicContact CG1-CG1 4.24Å; V183-V216 HydrophobicContact CG1-CG2 4.1Å; V183-V216 HydrophobicContact CG2-CB 4.44Å; V183-V216 HydrophobicContact CG2-CG1 4.04Å; V183-V216 HydrophobicContact CG2-CG2 3.49Å; V183-V216 VanDerWaalsContact CG2-CG2 3.49Å; G185-V216 VanDerWaalsContact N-CG1 3.29Å; V216-I225 HydrophobicContact CG2-CG2 3.25Å; V216-L226 CarbonylContact C-O 3.59Å; V216-L226 VanDerWaalsContact CA-O 3.29Å; V216-L226 WeakPolarHBondContact CA-O 3.46Å; V216-T227 HydrophobicContact CB-CG2 4.41Å; V216-T227 HydrophobicContact CG2-CG2 3.82Å
217	R	98.8	Very high	95.7	Very high	37 Å²	37	43.3 Å²	43.3	14%	0.14	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	158.2	166.6	76.8	-172.6	-37.1	156.2	3.4	113.9	H174 F215 I225 L226 A260 N261 F262	H174-R217 HydrophobicContact CB-CB 4.13Å; H174-R217 PolarHBondContact NE2-NH2 2.55Å; F215-R217 HydrophobicContact CE1-CB 4.08Å; F215-R217 HydrophobicContact CE1-CG 3.98Å; F215-R217 HydrophobicContact CZ-CB 4.1Å; F215-R217 HydrophobicContact CZ-CG 4.34Å; R217-I225 CarbonylContact O-C 3.57Å; R217-I225 WeakPolarHBondContact O-CA 3.47Å; R217-L226 HydrophobicContact CG-CB 4.44Å; R217-L226 PolarHBondContact N-O 3Å; R217-L226 PolarHBondContact O-N 3.09Å; R217-A260 VanDerWaalsContact CD-O 3.25Å; R217-A260 WeakPolarHBondContact CD-O 3.24Å; R217-A260 PolarHBondContact NH1-O 3.41Å; R217-N261 PolarHBondContact NH1-OD1 2.94Å; R217-F262 HydrophobicContact CG-CE2 4.17Å
218	F	98.8	Very high	96.4	Very high	5 Å²	5	42 Å²	42	2%	0.022	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	148.1	166.7	-73.4	-76.1	0	0	0	112	N176 L181 V183 I193 Y224 I225 Y239	N176-F218 HydrophobicContact CB-CD1 4.14Å; N176-F218 HydrophobicContact CB-CD2 3.71Å; N176-F218 HydrophobicContact CB-CE1 4.25Å; N176-F218 HydrophobicContact CB-CE2 3.8Å; N176-F218 HydrophobicContact CB-CG 3.87Å; N176-F218 HydrophobicContact CB-CZ 4.09Å; L181-F218 HydrophobicContact CB-CE2 4.3Å; L181-F218 HydrophobicContact CB-CZ 3.92Å; V183-F218 HydrophobicContact CB-CD2 4.17Å; V183-F218 HydrophobicContact CB-CE2 3.59Å; V183-F218 HydrophobicContact CB-CZ 3.86Å; V183-F218 HydrophobicContact CG1-CD2 3.6Å; V183-F218 HydrophobicContact CG1-CE2 3.54Å; V183-F218 HydrophobicContact CG1-CG 4.35Å; V183-F218 HydrophobicContact CG1-CZ 4.22Å; I193-F218 HydrophobicContact CG2-CZ 4.46Å; F218-Y224 CarbonylContact C-O 3.52Å; F218-Y224 WeakPolarHBondContact CA-O 3.32Å; F218-I225 HydrophobicContact CD1-CD1 4.26Å; F218-I225 HydrophobicContact CD1-CG1 3.65Å; F218-I225 HydrophobicContact CE1-CD1 3.77Å; F218-I225 HydrophobicContact CE1-CG1 3.69Å; F218-I225 HydrophobicContact CG-CG1 4.42Å; F218-I225 HydrophobicContact CZ-CD1 4.27Å; F218-I225 HydrophobicContact CZ-CG1 4.5Å; F218-Y239 HydrophobicContact CD1-CE1 4.1Å; F218-Y239 HydrophobicContact CE1-CD1 4.19Å; F218-Y239 AromaticContact CE1-CE1 3.8Å; F218-Y239 HydrophobicContact CE1-CE1 3.8Å
219	S	98.4	Very high	97.2	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.035	18%	0.179	C	C	.	.			trans	-65.5	155.5	164.2	60.3	0	0	0	0	111.2	N221 G222 K223 Y224 F262	S219-N221 PolarHBondContact O-N 3.37Å; S219-N221 VanDerWaalsContact O-N 3.09Å; S219-N221 PolarHBondContact OG-OD1 2.92Å; S219-G222 WeakPolarHBondContact O-CA 3.48Å; S219-G222 PolarHBondContact O-N 3.21Å; S219-K223 PolarHBondContact OG-N 2.63Å; S219-Y224 PolarHBondContact N-O 3Å; S219-Y224 PolarHBondContact OG-N 3.2Å; S219-Y224 PolarHBondContact OG-O 3.39Å; S219-F262 VanDerWaalsContact CA-CE2 3.45Å
220	P	96.6	Very high	97.7	Very high	78 Å²	78	29 Å²	29	51%	0.506	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.5	-177.1	-29.9	37.6	0	0	0	114.6	G222 F262 V264	P220-G222 VanDerWaalsContact C-N 3.31Å; P220-F262 HydrophobicContact CG-CB 4.1Å; P220-V264 HydrophobicContact CG-CG1 4.06Å
221	N	95.3	Very high	97.9	Very high	85 Å²	85	28.9 Å²	28.9	46%	0.455	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	0.3	175.9	67.4	6.3	0	0	0	114.3	S219 K223	S219-N221 PolarHBondContact O-N 3.37Å; S219-N221 VanDerWaalsContact O-N 3.09Å; S219-N221 PolarHBondContact OG-OD1 2.92Å; N221-K223 PolarHBondContact O-N 3.47Å; N221-K223 PolarHBondContact OD1-N 2.88Å
222	G	94.9	Very high	98	Very high	6 Å²	6	29.9 Å²	29.9	6%	0.062	15%	0.153	C	C	.	.	S	Bend	trans	70.1	7.7	179.3	0	0	0	0	0	116	S219 P220 Y239	S219-G222 WeakPolarHBondContact O-CA 3.48Å; S219-G222 PolarHBondContact O-N 3.21Å; P220-G222 VanDerWaalsContact C-N 3.31Å; G222-Y239 VanDerWaalsContact O-CE1 3.23Å; G222-Y239 WeakPolarHBondContact O-CE1 3.49Å; G222-Y239 PolarHBondContact O-OH 3.29Å
223	K	95.9	Very high	98	Very high	133 Å²	133	28.4 Å²	28.4	58%	0.578	14%	0.143	S	C	*	.	S	Bend	trans	-91.6	-24.5	-175.6	-66.4	-171.7	176.9	-176.4	0	114.5	S219 N221 Y239	S219-K223 PolarHBondContact OG-N 2.63Å; N221-K223 PolarHBondContact O-N 3.47Å; N221-K223 PolarHBondContact OD1-N 2.88Å; K223-Y239 VanDerWaalsContact C-CE1 3.5Å; K223-Y239 WeakPolarHBondContact O-CD1 3.44Å; K223-Y239 VanDerWaalsContact O-CE1 3.29Å; K223-Y239 WeakPolarHBondContact O-CE1 3.34Å
224	Y	98.3	Very high	98	Very high	77 Å²	77	28 Å²	28	30%	0.302	14%	0.141	S	C	.	.			trans	-126.6	161.2	-174.7	-49.2	-63.1	0	0	0	110.9	F218 S219 L236 W237 D238 L245	F218-Y224 CarbonylContact C-O 3.52Å; F218-Y224 WeakPolarHBondContact CA-O 3.32Å; S219-Y224 PolarHBondContact N-O 3Å; S219-Y224 PolarHBondContact OG-N 3.2Å; S219-Y224 PolarHBondContact OG-O 3.39Å; Y224-L236 HydrophobicContact CG-CD1 4.39Å; Y224-L236 HydrophobicContact CG-CG 4.49Å; Y224-W237 CarbonylContact C-O 3.55Å; Y224-W237 WeakPolarHBondContact CA-O 3.07Å; Y224-W237 WeakPolarHBondContact CB-O 3.24Å; Y224-D238 HydrophobicContact CD1-CB 4.46Å; Y224-L245 HydrophobicContact CD1-CD1 3.71Å; Y224-L245 HydrophobicContact CE1-CD1 3.56Å
225	I	98.7	Very high	98	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.4	170.6	-68.8	170.7	0	0	0	107.9	V183 I193 L205 V216 R217 F218 T227 L236 W237 Y239	V183-I225 HydrophobicContact CB-CD1 4.27Å; V183-I225 HydrophobicContact CG2-CD1 3.82Å; V183-I225 HydrophobicContact CG2-CG1 4.5Å; V183-I225 HydrophobicContact CG2-CG2 4.24Å; I193-I225 HydrophobicContact CD1-CD1 3.55Å; I193-I225 HydrophobicContact CG1-CD1 3.9Å; L205-I225 HydrophobicContact CD1-CD1 4.24Å; V216-I225 HydrophobicContact CG2-CG2 3.25Å; R217-I225 CarbonylContact O-C 3.57Å; R217-I225 WeakPolarHBondContact O-CA 3.47Å; F218-I225 HydrophobicContact CD1-CD1 4.26Å; F218-I225 HydrophobicContact CD1-CG1 3.65Å; F218-I225 HydrophobicContact CE1-CD1 3.77Å; F218-I225 HydrophobicContact CE1-CG1 3.69Å; F218-I225 HydrophobicContact CG-CG1 4.42Å; F218-I225 HydrophobicContact CZ-CD1 4.27Å; F218-I225 HydrophobicContact CZ-CG1 4.5Å; I225-T227 HydrophobicContact CG2-CG2 3.99Å; I225-L236 CarbonylContact O-C 3.55Å; I225-L236 WeakPolarHBondContact O-CA 3.44Å; I225-W237 HydrophobicContact CB-CB 4.46Å; I225-W237 PolarHBondContact N-O 2.55Å; I225-W237 PolarHBondContact O-N 3.06Å; I225-Y239 HydrophobicContact CD1-CD1 3.93Å; I225-Y239 HydrophobicContact CD1-CG 3.92Å; I225-Y239 HydrophobicContact CG1-CD1 3.87Å; I225-Y239 HydrophobicContact CG1-CG 4.37Å
226	L	98.8	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.2	169.2	-178.3	68.1	0	0	0	108.2	V216 R217 L234 K235 Y248 A260 F262 I270	V216-L226 CarbonylContact C-O 3.59Å; V216-L226 VanDerWaalsContact CA-O 3.29Å; V216-L226 WeakPolarHBondContact CA-O 3.46Å; R217-L226 HydrophobicContact CG-CB 4.44Å; R217-L226 PolarHBondContact N-O 3Å; R217-L226 PolarHBondContact O-N 3.09Å; L226-L234 HydrophobicContact CD1-CB 4.4Å; L226-K235 CarbonylContact C-O 3.56Å; L226-K235 WeakPolarHBondContact CA-O 3.3Å; L226-Y248 HydrophobicContact CD1-CE2 4.46Å; L226-A260 HydrophobicContact CD2-CB 3.66Å; L226-A260 HydrophobicContact CG-CB 4.44Å; L226-F262 HydrophobicContact CB-CE2 3.73Å; L226-F262 HydrophobicContact CB-CZ 3.64Å; L226-F262 HydrophobicContact CD2-CE2 4.16Å; L226-F262 HydrophobicContact CD2-CZ 4.31Å; L226-F262 HydrophobicContact CG-CZ 4.48Å; L226-I270 HydrophobicContact CD1-CD1 4.23Å; L226-I270 HydrophobicContact CD2-CD1 4.08Å; L226-I270 HydrophobicContact CD2-CG2 4.22Å
227	T	98.6	Very high	98	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.5	174.1	58	0	0	0	0	110.1	C191 I213 F215 V216 I225 L234 K235 W237	C191-T227 HydrophobicContact CB-CG2 4.35Å; I213-T227 HydrophobicContact CD1-CG2 4.49Å; F215-T227 CarbonylContact O-C 3.54Å; F215-T227 VanDerWaalsContact O-CA 3.32Å; F215-T227 WeakPolarHBondContact O-CA 3.44Å; V216-T227 HydrophobicContact CB-CG2 4.41Å; V216-T227 HydrophobicContact CG2-CG2 3.82Å; I225-T227 HydrophobicContact CG2-CG2 3.99Å; T227-L234 CarbonylContact O-C 3.59Å; T227-L234 VanDerWaalsContact O-CA 3.27Å; T227-L234 WeakPolarHBondContact O-CA 3.11Å; T227-K235 PolarHBondContact N-O 2.61Å; T227-K235 PolarHBondContact O-N 3.38Å; T227-K235 PolarHBondContact OG1-O 3.12Å; T227-W237 PolarHBondContact OG1-NE1 2.82Å
228	A	98.7	Very high	97.9	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	-111.5	136.7	164.4	0	0	0	0	0	109.2	I213 S214 F215 L234	I213-A228 CarbonylContact C-O 3.56Å; I213-A228 WeakPolarHBondContact CA-O 3.41Å; S214-A228 PolarHBondContact N-O 2.55Å; F215-A228 HydrophobicContact CB-CB 3.84Å; F215-A228 PolarHBondContact N-O 3.32Å; F215-A228 PolarHBondContact O-N 3.15Å; A228-L234 HydrophobicContact CB-CD2 3.41Å; A228-L234 VanDerWaalsContact CB-CD2 3.41Å
229	T	98.6	Very high	97.8	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.4	-180	42	0	0	0	0	110.2	P211 P212 I213 D231 T233	P211-T229 HydrophobicContact CG-CG2 3.81Å; P212-T229 VanDerWaalsContact O-CA 3.29Å; P212-T229 WeakPolarHBondContact O-CA 3.41Å; I213-T229 HydrophobicContact CG1-CG2 3.91Å; T229-D231 WeakPolarHBondContact CB-OD1 3.03Å; T229-D231 PolarHBondContact O-N 2.85Å; T229-D231 PolarHBondContact OG1-OD1 3.47Å; T229-T233 PolarHBondContact N-O 3.02Å; T229-T233 PolarHBondContact OG1-O 3.34Å
230	L	98.4	Very high	97.6	Very high	29 Å²	29	34.4 Å²	34.4	15%	0.152	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	37	-178.5	-63	-171	0	0	0	113.7	Y187 P212 S214 N253 Y256	Y187-L230 HydrophobicContact CD1-CD1 4.21Å; Y187-L230 HydrophobicContact CE1-CD1 3.67Å; P212-L230 HydrophobicContact CB-CB 4.29Å; P212-L230 HydrophobicContact CB-CD1 3.98Å; P212-L230 HydrophobicContact CB-CG 4.14Å; P212-L230 PolarHBondContact O-N 2.91Å; S214-L230 VanDerWaalsContact CB-CD2 3.4Å; L230-N253 CarbonylContact C-O 3.54Å; L230-N253 WeakPolarHBondContact CA-O 3.42Å; L230-N253 WeakPolarHBondContact CD2-OD1 3.47Å; L230-Y256 WeakPolarHBondContact CD2-O 3.45Å
231	D	97.9	Very high	97.5	Very high	58 Å²	58	39.5 Å²	39.5	31%	0.31	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	25.9	175.5	69.3	-17.9	0	0	0	110.4	P211 T229 T233	P211-D231 HydrophobicContact CB-CB 4.2Å; T229-D231 WeakPolarHBondContact CB-OD1 3.03Å; T229-D231 PolarHBondContact O-N 2.85Å; T229-D231 PolarHBondContact OG1-OD1 3.47Å; D231-T233 VanDerWaalsContact C-N 3.31Å; D231-T233 PolarHBondContact O-N 3.26Å; D231-T233 PolarHBondContact O-OG1 2.93Å; D231-T233 WeakPolarHBondContact OD1-CB 3.32Å; D231-T233 PolarHBondContact OD1-N 3.18Å; D231-T233 PolarHBondContact OD1-OG1 3.04Å
232	N	98.5	Very high	97.3	Very high	39 Å²	39	37 Å²	37	21%	0.209	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	27.4	-177.8	-50.8	-70.2	0	0	0	114.7	H251 K252 N253 E254	N232-H251 PolarHBondContact O-CE1 2.98Å; N232-K252 VanDerWaalsContact OD1-CA 3.26Å; N232-K252 WeakPolarHBondContact OD1-CA 3.4Å; N232-N253 PolarHBondContact N-O 3.08Å; N232-N253 PolarHBondContact OD1-N 3.29Å; N232-E254 PolarHBondContact ND2-OE1 3.2Å; N232-E254 WeakPolarHBondContact OD1-CG 3.15Å
233	T	98.4	Very high	97.3	Very high	14 Å²	14	45.3 Å²	45.3	9%	0.086	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.4	-172.1	-54.5	0	0	0	0	113.7	T229 D231 K235 T247 T249	T229-T233 PolarHBondContact N-O 3.02Å; T229-T233 PolarHBondContact OG1-O 3.34Å; D231-T233 VanDerWaalsContact C-N 3.31Å; D231-T233 PolarHBondContact O-N 3.26Å; D231-T233 PolarHBondContact O-OG1 2.93Å; D231-T233 WeakPolarHBondContact OD1-CB 3.32Å; D231-T233 PolarHBondContact OD1-N 3.18Å; D231-T233 PolarHBondContact OD1-OG1 3.04Å; T233-K235 HydrophobicContact CG2-CD 4.46Å; T233-K235 HydrophobicContact CG2-CG 3.84Å; T233-T247 HydrophobicContact CG2-CG2 3.33Å; T233-T249 HydrophobicContact CG2-CG2 4.22Å
234	L	98.8	Very high	97.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.7	162.7	-69.6	164.2	0	0	0	109.4	L226 T227 A228 T247 Y248 A260 I270 W282	L226-L234 HydrophobicContact CD1-CB 4.4Å; T227-L234 CarbonylContact O-C 3.59Å; T227-L234 VanDerWaalsContact O-CA 3.27Å; T227-L234 WeakPolarHBondContact O-CA 3.11Å; A228-L234 HydrophobicContact CB-CD2 3.41Å; A228-L234 VanDerWaalsContact CB-CD2 3.41Å; L234-T247 CarbonylContact O-C 3.57Å; L234-T247 WeakPolarHBondContact O-CA 3.44Å; L234-Y248 HydrophobicContact CB-CD2 4.08Å; L234-Y248 PolarHBondContact N-O 2.93Å; L234-Y248 PolarHBondContact O-N 2.88Å; L234-A260 HydrophobicContact CD1-CB 4.44Å; L234-A260 HydrophobicContact CD2-CB 3.66Å; L234-I270 HydrophobicContact CD1-CG2 3.96Å; L234-W282 HydrophobicContact CD1-CE3 4.5Å; L234-W282 HydrophobicContact CD1-CH2 4Å; L234-W282 HydrophobicContact CD1-CZ3 3.86Å
235	K	98.5	Very high	97.3	Very high	30 Å²	30	41 Å²	41	13%	0.13	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.7	178.2	-65.9	-174.7	174.9	-177	0	111.5	D207 L226 T227 T233 W237 K246 T247	D207-K235 IonicContact OD1-NZ 2.88Å; D207-K235 PolarHBondContact OD1-NZ 2.86Å; D207-K235 VanDerWaalsContact OD1-NZ 3.08Å; D207-K235 IonicContact OD2-NZ 3.44Å; D207-K235 PolarHBondContact OD2-NZ 3.24Å; L226-K235 CarbonylContact C-O 3.56Å; L226-K235 WeakPolarHBondContact CA-O 3.3Å; T227-K235 PolarHBondContact N-O 2.61Å; T227-K235 PolarHBondContact O-N 3.38Å; T227-K235 PolarHBondContact OG1-O 3.12Å; T233-K235 HydrophobicContact CG2-CD 4.46Å; T233-K235 HydrophobicContact CG2-CG 3.84Å; K235-W237 HydrophobicContact CB-CZ2 4.46Å; K235-W237 VanDerWaalsContact CB-NE1 3.32Å; K235-W237 HydrophobicContact CD-CZ2 3.97Å; K235-K246 CarbonylContact C-O 3.59Å; K235-K246 WeakPolarHBondContact CA-O 3.29Å; K235-T247 HydrophobicContact CG-CG2 4.34Å
236	L	98.6	Very high	97.2	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.047	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121	172.2	-173.3	71.6	0	0	0	109.4	Y224 I225 L245 K246 Y248 F262 L284	Y224-L236 HydrophobicContact CG-CD1 4.39Å; Y224-L236 HydrophobicContact CG-CG 4.49Å; I225-L236 CarbonylContact O-C 3.55Å; I225-L236 WeakPolarHBondContact O-CA 3.44Å; L236-L245 WeakPolarHBondContact O-CB 3.26Å; L236-L245 PolarHBondContact O-N 2.81Å; L236-K246 HydrophobicContact CB-CB 4Å; L236-K246 HydrophobicContact CD2-CG 4.23Å; L236-K246 PolarHBondContact N-O 2.9Å; L236-K246 PolarHBondContact O-N 2.81Å; L236-Y248 HydrophobicContact CB-CE2 4.14Å; L236-F262 HydrophobicContact CD1-CE1 3.72Å; L236-F262 HydrophobicContact CD1-CZ 3.6Å; L236-L284 HydrophobicContact CD2-CD1 4.15Å
237	W	98.4	Very high	97.2	Very high	18 Å²	18	45.9 Å²	45.9	7%	0.068	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.1	-174.3	-64	83.6	0	0	0	111.9	L205 D207 Y224 I225 T227 K235 Y239 R243 C244	L205-W237 HydrophobicContact CD1-CB 4.19Å; L205-W237 HydrophobicContact CD1-CG 4.36Å; D207-W237 HydrophobicContact CB-CH2 4.18Å; D207-W237 HydrophobicContact CB-CZ2 4.2Å; Y224-W237 CarbonylContact C-O 3.55Å; Y224-W237 WeakPolarHBondContact CA-O 3.07Å; Y224-W237 WeakPolarHBondContact CB-O 3.24Å; I225-W237 HydrophobicContact CB-CB 4.46Å; I225-W237 PolarHBondContact N-O 2.55Å; I225-W237 PolarHBondContact O-N 3.06Å; T227-W237 PolarHBondContact OG1-NE1 2.82Å; K235-W237 HydrophobicContact CB-CZ2 4.46Å; K235-W237 VanDerWaalsContact CB-NE1 3.32Å; K235-W237 HydrophobicContact CD-CZ2 3.97Å; W237-Y239 PolarHBondContact O-N 3.12Å; W237-R243 VanDerWaalsContact CE3-C 3.41Å; W237-C244 HydrophobicContact CD2-CB 4.14Å; W237-C244 HydrophobicContact CE3-CB 4.02Å; W237-C244 HydrophobicContact CH2-CB 3.96Å; W237-C244 HydrophobicContact CZ2-CB 4.09Å; W237-C244 HydrophobicContact CZ3-CB 3.93Å
238	D	97.4	Very high	97.2	Very high	16 Å²	16	45.7 Å²	45.7	9%	0.086	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	99.2	155	-177.7	-24.1	0	0	0	107.3	Y224 S240 R241 G242 R243 L245	Y224-D238 HydrophobicContact CD1-CB 4.46Å; D238-S240 VanDerWaalsContact C-N 3.28Å; D238-S240 PolarHBondContact O-N 3.17Å; D238-S240 WeakPolarHBondContact OD1-CB 3.36Å; D238-S240 PolarHBondContact OD1-N 3.35Å; D238-S240 PolarHBondContact OD1-OG 2.96Å; D238-R241 HydrophobicContact CB-CB 4.32Å; D238-R241 PolarHBondContact O-N 2.8Å; D238-R241 PolarHBondContact OD1-N 2.83Å; D238-R241 VanDerWaalsContact OD1-N 3.09Å; D238-R241 VanDerWaalsContact OD2-CD 3.23Å; D238-R241 WeakPolarHBondContact OD2-CD 3.26Å; D238-R241 WeakPolarHBondContact OD2-CG 3.2Å; D238-R241 IonicContact OD2-NE 3.62Å; D238-G242 WeakPolarHBondContact O-CA 3.29Å; D238-G242 PolarHBondContact O-N 2.85Å; D238-R243 PolarHBondContact N-O 2.93Å; D238-R243 PolarHBondContact O-N 3.49Å; D238-L245 HydrophobicContact CB-CD1 3.79Å; D238-L245 HydrophobicContact CB-CD2 3.95Å; D238-L245 HydrophobicContact CB-CG 3.98Å
239	Y	95.3	Very high	97.2	Very high	42 Å²	42	49.4 Å²	49.4	17%	0.165	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-23.5	-176.5	69.7	-93.1	0	0	0	113.1	L181 I193 K203 F218 G222 K223 I225 W237 R241 G242	L181-Y239 HydrophobicContact CD1-CE2 4.13Å; I193-Y239 VanDerWaalsContact CD1-CB 3.48Å; I193-Y239 HydrophobicContact CD1-CD2 3.55Å; I193-Y239 HydrophobicContact CD1-CE2 4.5Å; I193-Y239 HydrophobicContact CD1-CG 3.7Å; K203-Y239 WeakPolarHBondContact CD-O 3.31Å; K203-Y239 PolarHBondContact NZ-O 2.86Å; F218-Y239 HydrophobicContact CD1-CE1 4.1Å; F218-Y239 HydrophobicContact CE1-CD1 4.19Å; F218-Y239 AromaticContact CE1-CE1 3.8Å; F218-Y239 HydrophobicContact CE1-CE1 3.8Å; G222-Y239 VanDerWaalsContact O-CE1 3.23Å; G222-Y239 WeakPolarHBondContact O-CE1 3.49Å; G222-Y239 PolarHBondContact O-OH 3.29Å; K223-Y239 VanDerWaalsContact C-CE1 3.5Å; K223-Y239 WeakPolarHBondContact O-CD1 3.44Å; K223-Y239 VanDerWaalsContact O-CE1 3.29Å; K223-Y239 WeakPolarHBondContact O-CE1 3.34Å; I225-Y239 HydrophobicContact CD1-CD1 3.93Å; I225-Y239 HydrophobicContact CD1-CG 3.92Å; I225-Y239 HydrophobicContact CG1-CD1 3.87Å; I225-Y239 HydrophobicContact CG1-CG 4.37Å; W237-Y239 PolarHBondContact O-N 3.12Å; Y239-R241 VanDerWaalsContact C-N 3.3Å; Y239-G242 PolarHBondContact O-N 3.13Å
240	S	94.7	Very high	97.2	Very high	80 Å²	80	51.3 Å²	51.3	56%	0.559	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-40.3	175.4	76.6	0	0	0	0	110.3	K203 D238	K203-S240 PolarHBondContact NZ-O 2.85Å; D238-S240 VanDerWaalsContact C-N 3.28Å; D238-S240 PolarHBondContact O-N 3.17Å; D238-S240 WeakPolarHBondContact OD1-CB 3.36Å; D238-S240 PolarHBondContact OD1-N 3.35Å; D238-S240 PolarHBondContact OD1-OG 2.96Å
241	R	94.1	Very high	97.2	Very high	185 Å²	185	50.3 Å²	50.3	70%	0.698	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-16	177.1	-62.9	-178.4	179.5	166.3	-4.6	114	D238 Y239	D238-R241 HydrophobicContact CB-CB 4.32Å; D238-R241 PolarHBondContact O-N 2.8Å; D238-R241 PolarHBondContact OD1-N 2.83Å; D238-R241 VanDerWaalsContact OD1-N 3.09Å; D238-R241 VanDerWaalsContact OD2-CD 3.23Å; D238-R241 WeakPolarHBondContact OD2-CD 3.26Å; D238-R241 WeakPolarHBondContact OD2-CG 3.2Å; D238-R241 IonicContact OD2-NE 3.62Å; Y239-R241 VanDerWaalsContact C-N 3.3Å
242	G	93	Very high	97.3	Very high	33 Å²	33	51.9 Å²	51.9	34%	0.34	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	37.6	-176.8	0	0	0	0	0	112.8	D238 Y239	D238-G242 WeakPolarHBondContact O-CA 3.29Å; D238-G242 PolarHBondContact O-N 2.85Å; Y239-G242 PolarHBondContact O-N 3.13Å
243	R	93.9	Very high	97.3	Very high	179 Å²	179	50 Å²	50	68%	0.675	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.5	-177.1	-63.7	-175.4	-175.5	-176	-0.5	111.7	W237 D238	W237-R243 VanDerWaalsContact CE3-C 3.41Å; D238-R243 PolarHBondContact N-O 2.93Å; D238-R243 PolarHBondContact O-N 3.49Å
244	C	96.3	Very high	97.3	Very high	48 Å²	48	54.3 Å²	54.3	32%	0.324	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	130	166.8	-179.5	0	0	0	0	109.2	W237 K246	W237-C244 HydrophobicContact CD2-CB 4.14Å; W237-C244 HydrophobicContact CE3-CB 4.02Å; W237-C244 HydrophobicContact CH2-CB 3.96Å; W237-C244 HydrophobicContact CZ2-CB 4.09Å; W237-C244 HydrophobicContact CZ3-CB 3.93Å; C244-K246 PolarHBondContact SG-O 3.33Å
245	L	97.1	Very high	97.3	Very high	73 Å²	73	60.7 Å²	60.7	38%	0.382	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-38.5	179.7	-56.9	179.3	0	0	0	112.2	Y224 L236 D238	Y224-L245 HydrophobicContact CD1-CD1 3.71Å; Y224-L245 HydrophobicContact CE1-CD1 3.56Å; L236-L245 WeakPolarHBondContact O-CB 3.26Å; L236-L245 PolarHBondContact O-N 2.81Å; D238-L245 HydrophobicContact CB-CD1 3.79Å; D238-L245 HydrophobicContact CB-CD2 3.95Å; D238-L245 HydrophobicContact CB-CG 3.98Å
246	K	98.1	Very high	97.3	Very high	45 Å²	45	62.6 Å²	62.6	20%	0.196	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.3	-173.1	-55.4	-71.5	177.6	168.6	0	109.8	K235 L236 C244 Y248 Q285 K287	K235-K246 CarbonylContact C-O 3.59Å; K235-K246 WeakPolarHBondContact CA-O 3.29Å; L236-K246 HydrophobicContact CB-CB 4Å; L236-K246 HydrophobicContact CD2-CG 4.23Å; L236-K246 PolarHBondContact N-O 2.9Å; L236-K246 PolarHBondContact O-N 2.81Å; C244-K246 PolarHBondContact SG-O 3.33Å; K246-Y248 HydrophobicContact CB-CE2 3.96Å; K246-Y248 WeakPolarHBondContact CB-OH 3.42Å; K246-Q285 PolarHBondContact NZ-O 2.9Å; K246-K287 HydrophobicContact CB-CD 4.47Å; K246-K287 HydrophobicContact CB-CG 4.33Å; K246-K287 HydrophobicContact CD-CD 4.02Å; K246-K287 HydrophobicContact CD-CG 4Å
247	T	98.3	Very high	97.3	Very high	56 Å²	56	62.6 Å²	62.6	34%	0.344	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.9	178.4	-52.1	0	0	0	0	107.7	T233 L234 K235 T249	T233-T247 HydrophobicContact CG2-CG2 3.33Å; L234-T247 CarbonylContact O-C 3.57Å; L234-T247 WeakPolarHBondContact O-CA 3.44Å; K235-T247 HydrophobicContact CG-CG2 4.34Å; T247-T249 HydrophobicContact CG2-CG2 4.07Å
248	Y	98.7	Very high	97.3	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.6	178.1	-43.9	-91.6	0	0	0	108.4	L226 L234 L236 K246 I270 W282 L284 K287	L226-Y248 HydrophobicContact CD1-CE2 4.46Å; L234-Y248 HydrophobicContact CB-CD2 4.08Å; L234-Y248 PolarHBondContact N-O 2.93Å; L234-Y248 PolarHBondContact O-N 2.88Å; L236-Y248 HydrophobicContact CB-CE2 4.14Å; K246-Y248 HydrophobicContact CB-CE2 3.96Å; K246-Y248 WeakPolarHBondContact CB-OH 3.42Å; Y248-I270 HydrophobicContact CD1-CG1 4.44Å; Y248-I270 HydrophobicContact CD2-CG1 4.28Å; Y248-I270 HydrophobicContact CE1-CG1 4.01Å; Y248-I270 HydrophobicContact CE2-CG1 3.83Å; Y248-W282 HydrophobicContact CD1-CB 3.73Å; Y248-W282 HydrophobicContact CD1-CG 4.03Å; Y248-W282 HydrophobicContact CE1-CB 4.38Å; Y248-W282 HydrophobicContact CG-CB 4.49Å; Y248-W282 HydrophobicContact CG-CG 4.43Å; Y248-L284 WeakPolarHBondContact OH-CD1 3.3Å; Y248-L284 PolarHBondContact OH-O 2.98Å; Y248-K287 HydrophobicContact CD1-CB 3.91Å; Y248-K287 HydrophobicContact CD1-CG 4.26Å; Y248-K287 HydrophobicContact CE1-CB 4.08Å; Y248-K287 HydrophobicContact CE1-CG 4Å
249	T	98.7	Very high	97.3	Very high	79 Å²	79	62 Å²	62	49%	0.485	31%	0.312	S	S	.	.			trans	-133.5	175.9	-175.6	57.7	0	0	0	0	110.5	T233 T247 W282	T233-T249 HydrophobicContact CG2-CG2 4.22Å; T247-T249 HydrophobicContact CG2-CG2 4.07Å; T249-W282 PolarHBondContact O-NE1 2.84Å
250	G	98.4	Very high	97.5	Very high	44 Å²	44	60 Å²	60	45%	0.454	31%	0.305	S	S	.	.	S	Bend	trans	100.1	-2.9	177	0	0	0	0	0	114.8	Y280	G250-Y280 WeakPolarHBondContact O-CE1 3.44Å; G250-Y280 VanDerWaalsContact O-CZ 3.3Å; G250-Y280 PolarHBondContact O-OH 2.84Å; G250-Y280 VanDerWaalsContact O-OH 3.12Å
251	H	98.6	Very high	97.7	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.042	28%	0.281	C	S	.	.	S	Bend	trans	-91.1	173.7	162.5	69.1	-69.5	0	0	0	109.8	N232 Y280 W282	N232-H251 PolarHBondContact O-CE1 2.98Å; H251-Y280 HydrophobicContact CB-CD1 4.07Å; H251-Y280 HydrophobicContact CB-CD2 3.65Å; H251-Y280 HydrophobicContact CB-CE1 4.17Å; H251-Y280 HydrophobicContact CB-CE2 3.78Å; H251-Y280 HydrophobicContact CB-CG 3.82Å; H251-W282 HydrophobicContact CB-CH2 3.78Å; H251-W282 HydrophobicContact CB-CZ2 3.83Å; H251-W282 AromaticContact CG-CH2 3.71Å; H251-W282 AromaticContact CG-CZ2 3.88Å; H251-W282 AromaticContact ND1-CH2 3.57Å; H251-W282 AromaticContact ND1-CZ2 3.47Å; H251-W282 WeakPolarHBondContact ND1-CZ2 3.33Å
252	K	98.8	Very high	97.9	Very high	91 Å²	91	49.3 Å²	49.3	40%	0.396	25%	0.253	S	S	.	.			trans	-113.3	126.8	173.8	-167.9	176.9	178.6	179.2	0	110.8	N232 E254 S274 E275 D276	N232-K252 VanDerWaalsContact OD1-CA 3.26Å; N232-K252 WeakPolarHBondContact OD1-CA 3.4Å; K252-E254 WeakPolarHBondContact CE-OE2 3.3Å; K252-S274 PolarHBondContact N-OG 2.75Å; K252-S274 WeakPolarHBondContact O-CA 3.38Å; K252-S274 PolarHBondContact O-OG 2.89Å; K252-E275 HydrophobicContact CB-CB 4.12Å; K252-E275 HydrophobicContact CD-CB 4.21Å; K252-E275 HydrophobicContact CG-CB 4.01Å; K252-E275 PolarHBondContact O-N 3.26Å; K252-D276 HydrophobicContact CB-CB 4.48Å
253	N	98.7	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.			trans	-160	96.1	179.4	-176.5	20.8	0	0	0	109.6	S214 L230 N232 Y256 I258	S214-N253 PolarHBondContact OG-ND2 2.96Å; L230-N253 CarbonylContact C-O 3.54Å; L230-N253 WeakPolarHBondContact CA-O 3.42Å; L230-N253 WeakPolarHBondContact CD2-OD1 3.47Å; N232-N253 PolarHBondContact N-O 3.08Å; N232-N253 PolarHBondContact OD1-N 3.29Å; N253-Y256 PolarHBondContact OD1-O 2.81Å; N253-I258 HydrophobicContact CB-CD1 4.3Å
254	E	98.5	Very high	98	Very high	104 Å²	104	43.4 Å²	43.4	49%	0.486	23%	0.23	S	C	.	.	S	Bend	trans	-128.2	-13.1	-176.2	-63.9	174.9	166.7	0	0	112.1	N232 K252 E275	N232-E254 PolarHBondContact ND2-OE1 3.2Å; N232-E254 WeakPolarHBondContact OD1-CG 3.15Å; K252-E254 WeakPolarHBondContact CE-OE2 3.3Å; E254-E275 PolarHBondContact N-OE1 2.9Å; E254-E275 PolarHBondContact N-OE2 2.89Å
255	K	98.5	Very high	97.8	Very high	133 Å²	133	43 Å²	43	58%	0.578	23%	0.227	S	C	*	.	S	Bend	trans	-130.8	-39.3	-171.7	-177.6	178.7	174.9	-164.5	0	113.7	E275	K255-E275 WeakPolarHBondContact CA-OE1 3.4Å; K255-E275 WeakPolarHBondContact CB-OE1 3.19Å; K255-E275 PolarHBondContact N-OE1 2.81Å
256	Y	98.7	Very high	97.2	Very high	71 Å²	71	41.3 Å²	41.3	28%	0.278	23%	0.227	S	C	.	.	S	Bend	trans	-104.2	151.8	-167.3	-65.4	-82.2	0	0	0	114.1	S214 L230 N253 I258 E275 V299 I301 L317	S214-Y256 PolarHBondContact OG-O 3.23Å; L230-Y256 WeakPolarHBondContact CD2-O 3.45Å; N253-Y256 PolarHBondContact OD1-O 2.81Å; Y256-I258 VanDerWaalsContact C-N 3.29Å; Y256-I258 PolarHBondContact O-N 3.25Å; Y256-E275 HydrophobicContact CD2-CG 4.01Å; Y256-E275 PolarHBondContact N-OE1 3.32Å; Y256-E275 VanDerWaalsContact N-OE1 3.17Å; Y256-V299 HydrophobicContact CD2-CG1 3.98Å; Y256-V299 HydrophobicContact CD2-CG2 4.26Å; Y256-V299 HydrophobicContact CE2-CG1 4.41Å; Y256-V299 HydrophobicContact CE2-CG2 3.92Å; Y256-V299 HydrophobicContact CG-CG1 4.39Å; Y256-I301 HydrophobicContact CD1-CD1 4.26Å; Y256-I301 HydrophobicContact CG-CD1 4.24Å; Y256-L317 HydrophobicContact CD1-CD1 3.88Å; Y256-L317 HydrophobicContact CD2-CD1 4.47Å; Y256-L317 HydrophobicContact CE1-CD1 3.42Å; Y256-L317 VanDerWaalsContact CE1-CD1 3.42Å; Y256-L317 HydrophobicContact CE2-CD1 4.08Å; Y256-L317 HydrophobicContact CG-CD1 4.38Å
257	C	98.6	Very high	96.7	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.061	23%	0.23	C	C	.	.			trans	-78.8	76.4	170.1	-63.5	0	0	0	0	111.1	F129 Y187 S214	F129-C257 HydrophobicContact CE1-CB 3.57Å; F129-C257 WeakPolarHBondContact CE1-SG 3.33Å; F129-C257 HydrophobicContact CZ-CB 3.59Å; Y187-C257 PolarHBondContact OH-SG 3.49Å; S214-C257 WeakPolarHBondContact O-CA 3.37Å; S214-C257 WeakPolarHBondContact O-CB 3.31Å; S214-C257 PolarHBondContact O-SG 3.47Å
258	I	98.8	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.244	C	C	.	.			trans	-78.1	127.8	-177.4	-59.4	-179.1	0	0	0	110.9	F215 N253 Y256 E275 V299 I301	F215-I258 WeakPolarHBondContact CB-O 3.43Å; N253-I258 HydrophobicContact CB-CD1 4.3Å; Y256-I258 VanDerWaalsContact C-N 3.29Å; Y256-I258 PolarHBondContact O-N 3.25Å; I258-E275 HydrophobicContact CD1-CG 3.94Å; I258-V299 HydrophobicContact CD1-CG1 4.3Å; I258-I301 WeakPolarHBondContact CA-O 3.3Å; I258-I301 HydrophobicContact CG1-CD1 4.25Å
259	F	98.4	Very high	96.5	Very high	22 Å²	22	45.2 Å²	45.2	10%	0.096	25%	0.246	C	C	.	.			trans	-68.7	138	177.7	-69.3	-100.6	0	0	0	111.8	F215 S272 I301	F215-F259 AromaticContact CD2-CD1 3.92Å; F215-F259 HydrophobicContact CD2-CD1 3.92Å; F215-F259 HydrophobicContact CD2-CE1 4.37Å; F215-F259 HydrophobicContact CD2-CG 4.32Å; F215-F259 HydrophobicContact CE2-CB 4.35Å; F215-F259 AromaticContact CE2-CD1 3.31Å; F215-F259 HydrophobicContact CE2-CD1 3.31Å; F215-F259 AromaticContact CE2-CE1 3.83Å; F215-F259 HydrophobicContact CE2-CE1 3.83Å; F215-F259 HydrophobicContact CE2-CG 4.06Å; F215-F259 HydrophobicContact CZ-CD1 4.03Å; F259-S272 PolarHBondContact O-OG 2.6Å; F259-I301 PolarHBondContact N-O 2.82Å; F259-I301 VanDerWaalsContact N-O 3.12Å
260	A	98.4	Very high	96.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.1	172.3	0	0	0	0	0	111.9	F215 R217 L226 L234 V271	F215-A260 HydrophobicContact CD1-CB 3.99Å; F215-A260 HydrophobicContact CE1-CB 4.15Å; F215-A260 WeakPolarHBondContact CE1-O 3.23Å; R217-A260 VanDerWaalsContact CD-O 3.25Å; R217-A260 WeakPolarHBondContact CD-O 3.24Å; R217-A260 PolarHBondContact NH1-O 3.41Å; L226-A260 HydrophobicContact CD2-CB 3.66Å; L226-A260 HydrophobicContact CG-CB 4.44Å; L234-A260 HydrophobicContact CD1-CB 4.44Å; L234-A260 HydrophobicContact CD2-CB 3.66Å; A260-V271 CarbonylContact C-O 3.59Å; A260-V271 WeakPolarHBondContact CA-O 3.24Å
261	N	98.6	Very high	96.5	Very high	14 Å²	14	39.3 Å²	39.3	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.9	-171.5	-63.1	-92.4	0	0	0	112.4	R217 I270 V271 A303	R217-N261 PolarHBondContact NH1-OD1 2.94Å; N261-I270 WeakPolarHBondContact O-CA 3.14Å; N261-V271 HydrophobicContact CB-CB 4.48Å; N261-V271 PolarHBondContact N-O 3.31Å; N261-V271 PolarHBondContact O-N 3.36Å; N261-A303 PolarHBondContact ND2-O 3.01Å
262	F	98.4	Very high	96.5	Very high	25 Å²	25	38.9 Å²	38.9	11%	0.11	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118.9	163.1	-63.3	-88.9	0	0	0	108.2	R217 S219 P220 L226 L236 V264 W269 I270 L284	R217-F262 HydrophobicContact CG-CE2 4.17Å; S219-F262 VanDerWaalsContact CA-CE2 3.45Å; P220-F262 HydrophobicContact CG-CB 4.1Å; L226-F262 HydrophobicContact CB-CE2 3.73Å; L226-F262 HydrophobicContact CB-CZ 3.64Å; L226-F262 HydrophobicContact CD2-CE2 4.16Å; L226-F262 HydrophobicContact CD2-CZ 4.31Å; L226-F262 HydrophobicContact CG-CZ 4.48Å; L236-F262 HydrophobicContact CD1-CE1 3.72Å; L236-F262 HydrophobicContact CD1-CZ 3.6Å; F262-V264 HydrophobicContact CB-CG1 4.17Å; F262-W269 WeakPolarHBondContact CA-O 3.49Å; F262-I270 HydrophobicContact CD1-CD1 3.54Å; F262-I270 HydrophobicContact CE1-CD1 3.59Å; F262-I270 HydrophobicContact CG-CD1 4.31Å; F262-I270 HydrophobicContact CZ-CD1 4.38Å; F262-L284 HydrophobicContact CD1-CD1 4.12Å; F262-L284 HydrophobicContact CE1-CD1 3.97Å
263	S	96.5	Very high	96.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.4	164	-173.2	0	0	0	0	108.6	W269	S263-W269 PolarHBondContact N-O 3.09Å; S263-W269 PolarHBondContact O-N 2.86Å; S263-W269 VanDerWaalsContact O-N 3.08Å
264	V	93.5	Very high	96.6	Very high	87 Å²	87	34.6 Å²	34.6	53%	0.527	18%	0.18	S	C	.	.			trans	-132.1	0.4	-171.5	-63.1	0	0	0	0	114.2	P220 F262	P220-V264 HydrophobicContact CG-CG1 4.06Å; F262-V264 HydrophobicContact CB-CG1 4.17Å
265	T	90.5	Very high	96.6	Very high	41 Å²	41	31 Å²	31	25%	0.252	16%	0.164	S	C	.	.	S	Bend	trans	-80.3	-38.9	-175.4	47.4	0	0	0	0	112.4	H306 P307 T308 E309 N310	T265-H306 WeakPolarHBondContact CG2-O 3.46Å; T265-P307 WeakPolarHBondContact CG2-O 3.34Å; T265-T308 VanDerWaalsContact CB-O 3.29Å; T265-T308 WeakPolarHBondContact CB-O 3.49Å; T265-T308 WeakPolarHBondContact CG2-O 3.44Å; T265-E309 PolarHBondContact OG1-O 2.64Å; T265-N310 WeakPolarHBondContact CB-OD1 3.35Å; T265-N310 PolarHBondContact OG1-OD1 2.97Å
266	G	85.8	Confident	96.6	Very high	37 Å²	37	27.5 Å²	27.5	38%	0.381	15%	0.151	S	C	.	.	S	Bend	trans	-112.2	-111.9	173.4	0	0	0	0	0	110.3	N310	G266-N310 WeakPolarHBondContact CA-OD1 3.17Å; G266-N310 PolarHBondContact N-OD1 3.19Å
267	G	87.7	Confident	96.6	Very high	25 Å²	25	26.4 Å²	26.4	26%	0.258	15%	0.15	S	C	.	.	S	Bend	trans	-68.8	164.7	168.5	0	0	0	0	0	113	W269	G267-W269 VanDerWaalsContact CA-CE2 3.48Å; G267-W269 VanDerWaalsContact O-CD1 3.28Å; G267-W269 PolarHBondContact O-N 3.32Å; G267-W269 PolarHBondContact O-NE1 3.37Å
268	K	94.9	Very high	96.6	Very high	147 Å²	147	27.5 Å²	27.5	64%	0.639	16%	0.155	S	C	*	.			trans	-89.2	100.9	177.1	-66.7	-178.3	-178.4	176.5	0	109.5	L284	K268-L284 HydrophobicContact CB-CB 4.06Å; K268-L284 HydrophobicContact CB-CD2 3.97Å; K268-L284 HydrophobicContact CD-CD2 4.34Å; K268-L284 WeakPolarHBondContact O-CB 3.23Å; K268-L284 PolarHBondContact O-N 3.13Å
269	W	97.9	Very high	96.6	Very high	10 Å²	10	27.5 Å²	27.5	4%	0.038	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.7	-175	-41.2	116.8	0	0	0	112.5	P29 F262 S263 G267 V271 I281 W282 N283 V290	P29-W269 HydrophobicContact CG-CD2 4.46Å; P29-W269 HydrophobicContact CG-CZ2 4.25Å; F262-W269 WeakPolarHBondContact CA-O 3.49Å; S263-W269 PolarHBondContact N-O 3.09Å; S263-W269 PolarHBondContact O-N 2.86Å; S263-W269 VanDerWaalsContact O-N 3.08Å; G267-W269 VanDerWaalsContact CA-CE2 3.48Å; G267-W269 VanDerWaalsContact O-CD1 3.28Å; G267-W269 PolarHBondContact O-N 3.32Å; G267-W269 PolarHBondContact O-NE1 3.37Å; W269-V271 HydrophobicContact CB-CG2 4.43Å; W269-I281 HydrophobicContact CB-CG2 3.67Å; W269-I281 HydrophobicContact CD2-CG2 4.35Å; W269-I281 HydrophobicContact CG-CG2 3.9Å; W269-W282 CarbonylContact C-O 3.59Å; W269-W282 VanDerWaalsContact CA-O 3.22Å; W269-W282 WeakPolarHBondContact CA-O 3.27Å; W269-N283 HydrophobicContact CE3-CB 4.24Å; W269-N283 HydrophobicContact CZ3-CB 3.82Å; W269-V290 HydrophobicContact CD2-CG2 4.41Å; W269-V290 HydrophobicContact CE3-CG2 3.8Å; W269-V290 HydrophobicContact CZ3-CB 4.42Å; W269-V290 HydrophobicContact CZ3-CG1 3.94Å; W269-V290 HydrophobicContact CZ3-CG2 3.89Å
270	I	98.7	Very high	96.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	132.7	157.6	-60.8	-57.3	0	0	0	107.4	L226 L234 Y248 N261 F262 I281 W282 L284	L226-I270 HydrophobicContact CD1-CD1 4.23Å; L226-I270 HydrophobicContact CD2-CD1 4.08Å; L226-I270 HydrophobicContact CD2-CG2 4.22Å; L234-I270 HydrophobicContact CD1-CG2 3.96Å; Y248-I270 HydrophobicContact CD1-CG1 4.44Å; Y248-I270 HydrophobicContact CD2-CG1 4.28Å; Y248-I270 HydrophobicContact CE1-CG1 4.01Å; Y248-I270 HydrophobicContact CE2-CG1 3.83Å; N261-I270 WeakPolarHBondContact O-CA 3.14Å; F262-I270 HydrophobicContact CD1-CD1 3.54Å; F262-I270 HydrophobicContact CE1-CD1 3.59Å; F262-I270 HydrophobicContact CG-CD1 4.31Å; F262-I270 HydrophobicContact CZ-CD1 4.38Å; I270-I281 CarbonylContact O-C 3.51Å; I270-I281 WeakPolarHBondContact O-CA 3.36Å; I270-W282 HydrophobicContact CB-CB 4.4Å; I270-W282 HydrophobicContact CB-CE3 4.35Å; I270-W282 HydrophobicContact CG2-CE3 4.12Å; I270-W282 PolarHBondContact N-O 3.22Å; I270-W282 PolarHBondContact O-N 2.7Å; I270-L284 HydrophobicContact CD1-CD1 3.44Å; I270-L284 VanDerWaalsContact CD1-CD1 3.44Å; I270-L284 HydrophobicContact CG1-CD1 3.75Å
271	V	98.8	Very high	96.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.4	178.4	-178.2	0	0	0	0	108.8	A260 N261 W269 V279 Y280 I281 A303 I312	A260-V271 CarbonylContact C-O 3.59Å; A260-V271 WeakPolarHBondContact CA-O 3.24Å; N261-V271 HydrophobicContact CB-CB 4.48Å; N261-V271 PolarHBondContact N-O 3.31Å; N261-V271 PolarHBondContact O-N 3.36Å; W269-V271 HydrophobicContact CB-CG2 4.43Å; V271-V279 HydrophobicContact CG1-CG1 3.78Å; V271-Y280 WeakPolarHBondContact CA-O 3.44Å; V271-I281 HydrophobicContact CG2-CG1 4.33Å; V271-I281 HydrophobicContact CG2-CG2 4.32Å; V271-A303 HydrophobicContact CG1-CB 4.15Å; V271-I312 HydrophobicContact CG1-CD1 3.98Å; V271-I312 HydrophobicContact CG1-CG2 4.36Å; V271-I312 HydrophobicContact CG2-CD1 4Å
272	S	98.8	Very high	96.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	153	174.9	-165.1	0	0	0	0	110.7	F259 Y280	F259-S272 PolarHBondContact O-OG 2.6Å; S272-Y280 PolarHBondContact N-O 2.97Å; S272-Y280 PolarHBondContact O-N 2.99Å
273	G	98.8	Very high	96.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.			trans	-73.1	-174.8	164.2	0	0	0	0	0	111.5	L278 V300	G273-L278 CarbonylContact C-O 3.58Å; G273-V300 CarbonylContact C-O 3.55Å; G273-V300 VanDerWaalsContact CA-O 3.3Å; G273-V300 WeakPolarHBondContact CA-O 3.26Å
274	S	98.9	Very high	96.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.			trans	-162.8	152.2	-177.5	-179.9	0	0	0	0	110.6	K252 D276 N277 L278 V300	K252-S274 PolarHBondContact N-OG 2.75Å; K252-S274 WeakPolarHBondContact O-CA 3.38Å; K252-S274 PolarHBondContact O-OG 2.89Å; S274-D276 WeakPolarHBondContact CB-OD1 3.22Å; S274-D276 PolarHBondContact O-N 3.19Å; S274-D276 PolarHBondContact OG-N 3.25Å; S274-D276 PolarHBondContact OG-OD1 2.76Å; S274-N277 PolarHBondContact O-N 3.12Å; S274-L278 WeakPolarHBondContact CB-O 3.18Å; S274-L278 PolarHBondContact N-O 3.34Å; S274-V300 PolarHBondContact N-O 3.1Å; S274-V300 PolarHBondContact O-N 2.6Å
275	E	98.9	Very high	96.8	Very high	29 Å²	29	30 Å²	30	14%	0.136	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.4	176.8	-61.2	179.4	-179.3	0	0	113.7	K252 E254 K255 Y256 I258 N277 V299	K252-E275 HydrophobicContact CB-CB 4.12Å; K252-E275 HydrophobicContact CD-CB 4.21Å; K252-E275 HydrophobicContact CG-CB 4.01Å; K252-E275 PolarHBondContact O-N 3.26Å; E254-E275 PolarHBondContact N-OE1 2.9Å; E254-E275 PolarHBondContact N-OE2 2.89Å; K255-E275 WeakPolarHBondContact CA-OE1 3.4Å; K255-E275 WeakPolarHBondContact CB-OE1 3.19Å; K255-E275 PolarHBondContact N-OE1 2.81Å; Y256-E275 HydrophobicContact CD2-CG 4.01Å; Y256-E275 PolarHBondContact N-OE1 3.32Å; Y256-E275 VanDerWaalsContact N-OE1 3.17Å; I258-E275 HydrophobicContact CD1-CG 3.94Å; E275-N277 VanDerWaalsContact C-N 3.28Å; E275-V299 HydrophobicContact CB-CG1 4.48Å; E275-V299 HydrophobicContact CB-CG2 4.25Å; E275-V299 HydrophobicContact CG-CG1 4.09Å; E275-V299 HydrophobicContact CG-CG2 4.42Å
276	D	98.8	Very high	97.1	Very high	59 Å²	59	31.1 Å²	31.1	32%	0.316	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	16.3	170.8	70.3	-6.3	0	0	0	113	K252 S274 L278 Y280	K252-D276 HydrophobicContact CB-CB 4.48Å; S274-D276 WeakPolarHBondContact CB-OD1 3.22Å; S274-D276 PolarHBondContact O-N 3.19Å; S274-D276 PolarHBondContact OG-N 3.25Å; S274-D276 PolarHBondContact OG-OD1 2.76Å; D276-L278 VanDerWaalsContact C-N 3.26Å; D276-L278 PolarHBondContact O-N 2.82Å; D276-L278 PolarHBondContact OD1-N 3.5Å; D276-Y280 WeakPolarHBondContact OD1-CE2 3.46Å; D276-Y280 WeakPolarHBondContact OD2-CE2 3.39Å; D276-Y280 PolarHBondContact OD2-OH 3.29Å
277	N	98.8	Very high	97.7	Very high	49 Å²	49	34.3 Å²	34.3	26%	0.262	17%	0.173	S	C	.	.	S	Bend	trans	70	13.7	175.5	-44.8	-13	0	0	0	114.8	S274 E275 T297 D298 V299	S274-N277 PolarHBondContact O-N 3.12Å; E275-N277 VanDerWaalsContact C-N 3.28Å; N277-T297 PolarHBondContact ND2-O 2.85Å; N277-D298 WeakPolarHBondContact CA-O 3.41Å; N277-D298 WeakPolarHBondContact CB-O 3.45Å; N277-D298 VanDerWaalsContact CG-C 3.4Å; N277-D298 WeakPolarHBondContact OD1-CA 3.22Å; N277-D298 PolarHBondContact OD1-O 3.26Å; N277-V299 PolarHBondContact OD1-N 2.86Å
278	L	98.8	Very high	98.2	Very high	31 Å²	31	39.2 Å²	39.2	16%	0.162	19%	0.189	C	C	.	.			trans	-105.9	153.8	179.2	-55.6	178.2	0	0	0	112.1	G273 S274 D276 Y280 K292 L293 Q294	G273-L278 CarbonylContact C-O 3.58Å; S274-L278 WeakPolarHBondContact CB-O 3.18Å; S274-L278 PolarHBondContact N-O 3.34Å; D276-L278 VanDerWaalsContact C-N 3.26Å; D276-L278 PolarHBondContact O-N 2.82Å; D276-L278 PolarHBondContact OD1-N 3.5Å; L278-Y280 HydrophobicContact CB-CD2 4.1Å; L278-Y280 HydrophobicContact CB-CE2 3.73Å; L278-Y280 HydrophobicContact CD1-CE2 4.21Å; L278-K292 HydrophobicContact CD1-CB 4.37Å; L278-K292 HydrophobicContact CD1-CD 4.03Å; L278-L293 WeakPolarHBondContact CA-O 3.37Å; L278-Q294 HydrophobicContact CD2-CB 3.77Å; L278-Q294 HydrophobicContact CD2-CG 3.92Å
279	V	98.9	Very high	98.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.1	160.9	-177.9	0	0	0	0	108	V271 K292 L293 V300 S314	V271-V279 HydrophobicContact CG1-CG1 3.78Å; V279-K292 CarbonylContact O-C 3.52Å; V279-K292 WeakPolarHBondContact O-CA 3.36Å; V279-L293 HydrophobicContact CB-CB 3.92Å; V279-L293 HydrophobicContact CB-CD1 3.97Å; V279-L293 HydrophobicContact CB-CG 3.97Å; V279-L293 HydrophobicContact CG1-CD1 4.06Å; V279-L293 HydrophobicContact CG1-CG 4.37Å; V279-L293 HydrophobicContact CG2-CB 4.46Å; V279-L293 HydrophobicContact CG2-CD1 4.49Å; V279-L293 PolarHBondContact N-O 3.17Å; V279-L293 PolarHBondContact O-N 3.34Å; V279-V300 HydrophobicContact CG2-CG1 4.01Å; V279-S314 VanDerWaalsContact CG2-CB 3.5Å
280	Y	98.9	Very high	98.4	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	140	177.3	-78.7	-107.3	0	0	0	111.3	G250 H251 V271 S272 D276 L278 W282 I289 K292	G250-Y280 WeakPolarHBondContact O-CE1 3.44Å; G250-Y280 VanDerWaalsContact O-CZ 3.3Å; G250-Y280 PolarHBondContact O-OH 2.84Å; G250-Y280 VanDerWaalsContact O-OH 3.12Å; H251-Y280 HydrophobicContact CB-CD1 4.07Å; H251-Y280 HydrophobicContact CB-CD2 3.65Å; H251-Y280 HydrophobicContact CB-CE1 4.17Å; H251-Y280 HydrophobicContact CB-CE2 3.78Å; H251-Y280 HydrophobicContact CB-CG 3.82Å; V271-Y280 WeakPolarHBondContact CA-O 3.44Å; S272-Y280 PolarHBondContact N-O 2.97Å; S272-Y280 PolarHBondContact O-N 2.99Å; D276-Y280 WeakPolarHBondContact OD1-CE2 3.46Å; D276-Y280 WeakPolarHBondContact OD2-CE2 3.39Å; D276-Y280 PolarHBondContact OD2-OH 3.29Å; L278-Y280 HydrophobicContact CB-CD2 4.1Å; L278-Y280 HydrophobicContact CB-CE2 3.73Å; L278-Y280 HydrophobicContact CD1-CE2 4.21Å; Y280-W282 HydrophobicContact CD1-CH2 4.1Å; Y280-W282 AromaticContact CD1-CZ2 3.71Å; Y280-W282 HydrophobicContact CD1-CZ2 3.71Å; Y280-W282 AromaticContact CG-CH2 3.73Å; Y280-W282 HydrophobicContact CG-CH2 3.73Å; Y280-W282 AromaticContact CG-CZ2 3.84Å; Y280-W282 HydrophobicContact CG-CZ2 3.84Å; Y280-W282 HydrophobicContact CG-CZ3 4.38Å; Y280-W282 WeakPolarHBondContact O-CZ3 3.43Å; Y280-I289 HydrophobicContact CD1-CD1 4Å; Y280-I289 HydrophobicContact CD1-CG1 4.27Å; Y280-I289 HydrophobicContact CD1-CG2 4.32Å; Y280-I289 HydrophobicContact CE1-CD1 3.93Å; Y280-K292 HydrophobicContact CD1-CD 4.29Å; Y280-K292 HydrophobicContact CD1-CG 4.12Å; Y280-K292 HydrophobicContact CE1-CD 3.67Å; Y280-K292 HydrophobicContact CE1-CG 4.02Å; Y280-K292 VanDerWaalsContact CE1-NZ 3.35Å; Y280-K292 PolarHBondContact OH-NZ 2.92Å
281	I	98.7	Very high	98.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.3	176.1	-50.4	-176.2	0	0	0	108.5	P29 Y31 W269 I270 V271 V290 Q291 L293 I312	P29-I281 HydrophobicContact CG-CG2 4.17Å; Y31-I281 HydrophobicContact CD2-CD1 3.34Å; Y31-I281 HydrophobicContact CE2-CD1 3.77Å; Y31-I281 HydrophobicContact CG-CD1 4.13Å; W269-I281 HydrophobicContact CB-CG2 3.67Å; W269-I281 HydrophobicContact CD2-CG2 4.35Å; W269-I281 HydrophobicContact CG-CG2 3.9Å; I270-I281 CarbonylContact O-C 3.51Å; I270-I281 WeakPolarHBondContact O-CA 3.36Å; V271-I281 HydrophobicContact CG2-CG1 4.33Å; V271-I281 HydrophobicContact CG2-CG2 4.32Å; I281-V290 HydrophobicContact CB-CG2 4.15Å; I281-V290 HydrophobicContact CG2-CG2 3.72Å; I281-V290 WeakPolarHBondContact O-CG2 3.27Å; I281-V290 PolarHBondContact O-N 2.74Å; I281-Q291 HydrophobicContact CB-CB 4.23Å; I281-Q291 HydrophobicContact CD1-CB 4.25Å; I281-Q291 HydrophobicContact CG1-CB 4.48Å; I281-Q291 PolarHBondContact N-O 2.79Å; I281-Q291 PolarHBondContact O-N 3.26Å; I281-L293 HydrophobicContact CD1-CD1 4.26Å; I281-L293 HydrophobicContact CD1-CD2 4.27Å; I281-L293 HydrophobicContact CD1-CG 4.36Å; I281-I312 HydrophobicContact CD1-CD1 3.75Å; I281-I312 HydrophobicContact CG1-CD1 4.5Å
282	W	98.8	Very high	98.3	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146	177.4	-61.3	-100.7	0	0	0	111.7	L234 Y248 T249 H251 W269 I270 Y280 L284 E288 I289	L234-W282 HydrophobicContact CD1-CE3 4.5Å; L234-W282 HydrophobicContact CD1-CH2 4Å; L234-W282 HydrophobicContact CD1-CZ3 3.86Å; Y248-W282 HydrophobicContact CD1-CB 3.73Å; Y248-W282 HydrophobicContact CD1-CG 4.03Å; Y248-W282 HydrophobicContact CE1-CB 4.38Å; Y248-W282 HydrophobicContact CG-CB 4.49Å; Y248-W282 HydrophobicContact CG-CG 4.43Å; T249-W282 PolarHBondContact O-NE1 2.84Å; H251-W282 HydrophobicContact CB-CH2 3.78Å; H251-W282 HydrophobicContact CB-CZ2 3.83Å; H251-W282 AromaticContact CG-CH2 3.71Å; H251-W282 AromaticContact CG-CZ2 3.88Å; H251-W282 AromaticContact ND1-CH2 3.57Å; H251-W282 AromaticContact ND1-CZ2 3.47Å; H251-W282 WeakPolarHBondContact ND1-CZ2 3.33Å; W269-W282 CarbonylContact C-O 3.59Å; W269-W282 VanDerWaalsContact CA-O 3.22Å; W269-W282 WeakPolarHBondContact CA-O 3.27Å; I270-W282 HydrophobicContact CB-CB 4.4Å; I270-W282 HydrophobicContact CB-CE3 4.35Å; I270-W282 HydrophobicContact CG2-CE3 4.12Å; I270-W282 PolarHBondContact N-O 3.22Å; I270-W282 PolarHBondContact O-N 2.7Å; Y280-W282 HydrophobicContact CD1-CH2 4.1Å; Y280-W282 AromaticContact CD1-CZ2 3.71Å; Y280-W282 HydrophobicContact CD1-CZ2 3.71Å; Y280-W282 AromaticContact CG-CH2 3.73Å; Y280-W282 HydrophobicContact CG-CH2 3.73Å; Y280-W282 AromaticContact CG-CZ2 3.84Å; Y280-W282 HydrophobicContact CG-CZ2 3.84Å; Y280-W282 HydrophobicContact CG-CZ3 4.38Å; Y280-W282 WeakPolarHBondContact O-CZ3 3.43Å; W282-L284 PolarHBondContact O-N 2.89Å; W282-E288 CarbonylContact C-O 3.34Å; W282-E288 VanDerWaalsContact CA-O 3.25Å; W282-E288 WeakPolarHBondContact CA-O 3.4Å; W282-I289 VanDerWaalsContact CD1-CG1 3.45Å; W282-I289 HydrophobicContact CG-CG1 4.34Å
283	N	97.9	Very high	98.3	Very high	30 Å²	30	42.9 Å²	42.9	16%	0.16	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	121.7	163.5	-171.7	-61.7	0	0	0	110.3	W269 Q285 T286 K287 E288 V290	W269-N283 HydrophobicContact CE3-CB 4.24Å; W269-N283 HydrophobicContact CZ3-CB 3.82Å; N283-Q285 PolarHBondContact O-N 3.35Å; N283-Q285 VanDerWaalsContact O-N 3.15Å; N283-Q285 WeakPolarHBondContact OD1-CA 3.42Å; N283-Q285 PolarHBondContact OD1-N 3.4Å; N283-T286 VanDerWaalsContact CB-OG1 3.23Å; N283-T286 WeakPolarHBondContact CB-OG1 3.14Å; N283-T286 PolarHBondContact OD1-N 3.07Å; N283-K287 VanDerWaalsContact O-CA 3.25Å; N283-K287 WeakPolarHBondContact O-CA 3.21Å; N283-K287 PolarHBondContact O-N 3.41Å; N283-E288 PolarHBondContact N-O 3.46Å; N283-V290 HydrophobicContact CB-CG1 3.89Å
284	L	97.3	Very high	98.3	Very high	36 Å²	36	50.7 Å²	50.7	19%	0.188	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.8	-178.8	-177.3	75.7	0	0	0	112.3	L236 Y248 F262 K268 I270 W282	L236-L284 HydrophobicContact CD2-CD1 4.15Å; Y248-L284 WeakPolarHBondContact OH-CD1 3.3Å; Y248-L284 PolarHBondContact OH-O 2.98Å; F262-L284 HydrophobicContact CD1-CD1 4.12Å; F262-L284 HydrophobicContact CE1-CD1 3.97Å; K268-L284 HydrophobicContact CB-CB 4.06Å; K268-L284 HydrophobicContact CB-CD2 3.97Å; K268-L284 HydrophobicContact CD-CD2 4.34Å; K268-L284 WeakPolarHBondContact O-CB 3.23Å; K268-L284 PolarHBondContact O-N 3.13Å; I270-L284 HydrophobicContact CD1-CD1 3.44Å; I270-L284 VanDerWaalsContact CD1-CD1 3.44Å; I270-L284 HydrophobicContact CG1-CD1 3.75Å; W282-L284 PolarHBondContact O-N 2.89Å
285	Q	96.3	Very high	98.3	Very high	132 Å²	132	52.2 Å²	52.2	62%	0.617	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-48.4	-173.6	-173.4	61.6	17	0	0	113.3	K246 N283	K246-Q285 PolarHBondContact NZ-O 2.9Å; N283-Q285 PolarHBondContact O-N 3.35Å; N283-Q285 VanDerWaalsContact O-N 3.15Å; N283-Q285 WeakPolarHBondContact OD1-CA 3.42Å; N283-Q285 PolarHBondContact OD1-N 3.4Å
286	T	97.3	Very high	98.3	Very high	63 Å²	63	51.4 Å²	51.4	39%	0.387	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-22	-177.3	73.2	0	0	0	0	112.3	N283 E288	N283-T286 VanDerWaalsContact CB-OG1 3.23Å; N283-T286 WeakPolarHBondContact CB-OG1 3.14Å; N283-T286 PolarHBondContact OD1-N 3.07Å; T286-E288 PolarHBondContact O-N 2.77Å; T286-E288 PolarHBondContact OG1-N 2.77Å; T286-E288 PolarHBondContact OG1-OE2 2.79Å
287	K	98.3	Very high	98.2	Very high	104 Å²	104	53.1 Å²	53.1	45%	0.452	27%	0.271	S	S	.	.			trans	69.7	5	-176.3	-43.5	157	-71.5	167.8	0	113.9	K246 Y248 N283	K246-K287 HydrophobicContact CB-CD 4.47Å; K246-K287 HydrophobicContact CB-CG 4.33Å; K246-K287 HydrophobicContact CD-CD 4.02Å; K246-K287 HydrophobicContact CD-CG 4Å; Y248-K287 HydrophobicContact CD1-CB 3.91Å; Y248-K287 HydrophobicContact CD1-CG 4.26Å; Y248-K287 HydrophobicContact CE1-CB 4.08Å; Y248-K287 HydrophobicContact CE1-CG 4Å; N283-K287 VanDerWaalsContact O-CA 3.25Å; N283-K287 WeakPolarHBondContact O-CA 3.21Å; N283-K287 PolarHBondContact O-N 3.41Å
288	E	98.1	Very high	98.2	Very high	129 Å²	129	51.8 Å²	51.8	60%	0.603	26%	0.264	S	S	*	.			trans	-73.7	142.6	178	-66.3	166.2	151.5	0	0	110.1	W282 N283 T286 V290	W282-E288 CarbonylContact C-O 3.34Å; W282-E288 VanDerWaalsContact CA-O 3.25Å; W282-E288 WeakPolarHBondContact CA-O 3.4Å; N283-E288 PolarHBondContact N-O 3.46Å; T286-E288 PolarHBondContact O-N 2.77Å; T286-E288 PolarHBondContact OG1-N 2.77Å; T286-E288 PolarHBondContact OG1-OE2 2.79Å; E288-V290 PolarHBondContact O-N 3.45Å
289	I	98.5	Very high	98.3	Very high	64 Å²	64	50.8 Å²	50.8	33%	0.328	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	115.9	168.5	-62.3	163.7	0	0	0	107	Y280 W282 K292	Y280-I289 HydrophobicContact CD1-CD1 4Å; Y280-I289 HydrophobicContact CD1-CG1 4.27Å; Y280-I289 HydrophobicContact CD1-CG2 4.32Å; Y280-I289 HydrophobicContact CE1-CD1 3.93Å; W282-I289 VanDerWaalsContact CD1-CG1 3.45Å; W282-I289 HydrophobicContact CG-CG1 4.34Å; I289-K292 HydrophobicContact CG2-CG 3.81Å
290	V	97.6	Very high	98.3	Very high	20 Å²	20	50.8 Å²	50.8	12%	0.121	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-22.6	179.4	-65.1	0	0	0	0	112.3	N28 P29 W269 I281 N283 E288	N28-V290 HydrophobicContact CB-CB 4.46Å; P29-V290 HydrophobicContact CG-CG2 3.77Å; W269-V290 HydrophobicContact CD2-CG2 4.41Å; W269-V290 HydrophobicContact CE3-CG2 3.8Å; W269-V290 HydrophobicContact CZ3-CB 4.42Å; W269-V290 HydrophobicContact CZ3-CG1 3.94Å; W269-V290 HydrophobicContact CZ3-CG2 3.89Å; I281-V290 HydrophobicContact CB-CG2 4.15Å; I281-V290 HydrophobicContact CG2-CG2 3.72Å; I281-V290 WeakPolarHBondContact O-CG2 3.27Å; I281-V290 PolarHBondContact O-N 2.74Å; N283-V290 HydrophobicContact CB-CG1 3.89Å; E288-V290 PolarHBondContact O-N 3.45Å
291	Q	98.2	Very high	98.3	Very high	39 Å²	39	51.3 Å²	51.3	18%	0.182	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	147.8	175.5	-152.5	179	-5.5	0	0	111.4	P29 Y31 I281 L293	P29-Q291 HydrophobicContact CG-CB 4.42Å; P29-Q291 PolarHBondContact O-OE1 3.31Å; Y31-Q291 PolarHBondContact O-NE2 3.27Å; I281-Q291 HydrophobicContact CB-CB 4.23Å; I281-Q291 HydrophobicContact CD1-CB 4.25Å; I281-Q291 HydrophobicContact CG1-CB 4.48Å; I281-Q291 PolarHBondContact N-O 2.79Å; I281-Q291 PolarHBondContact O-N 3.26Å; Q291-L293 VanDerWaalsContact CD-CD2 3.5Å; Q291-L293 HydrophobicContact CG-CD2 3.85Å
292	K	98.6	Very high	98.3	Very high	105 Å²	105	51.3 Å²	51.3	46%	0.457	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128	165.7	-57.6	-171.8	-175.6	-160.4	0	108.5	L278 V279 Y280 I289	L278-K292 HydrophobicContact CD1-CB 4.37Å; L278-K292 HydrophobicContact CD1-CD 4.03Å; V279-K292 CarbonylContact O-C 3.52Å; V279-K292 WeakPolarHBondContact O-CA 3.36Å; Y280-K292 HydrophobicContact CD1-CD 4.29Å; Y280-K292 HydrophobicContact CD1-CG 4.12Å; Y280-K292 HydrophobicContact CE1-CD 3.67Å; Y280-K292 HydrophobicContact CE1-CG 4.02Å; Y280-K292 VanDerWaalsContact CE1-NZ 3.35Å; Y280-K292 PolarHBondContact OH-NZ 2.92Å; I289-K292 HydrophobicContact CG2-CG 3.81Å
293	L	98.6	Very high	98.2	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.5	179.6	-39.6	-178.3	0	0	0	109.1	L278 V279 I281 Q291 W326	L278-L293 WeakPolarHBondContact CA-O 3.37Å; V279-L293 HydrophobicContact CB-CB 3.92Å; V279-L293 HydrophobicContact CB-CD1 3.97Å; V279-L293 HydrophobicContact CB-CG 3.97Å; V279-L293 HydrophobicContact CG1-CD1 4.06Å; V279-L293 HydrophobicContact CG1-CG 4.37Å; V279-L293 HydrophobicContact CG2-CB 4.46Å; V279-L293 HydrophobicContact CG2-CD1 4.49Å; V279-L293 PolarHBondContact N-O 3.17Å; V279-L293 PolarHBondContact O-N 3.34Å; I281-L293 HydrophobicContact CD1-CD1 4.26Å; I281-L293 HydrophobicContact CD1-CD2 4.27Å; I281-L293 HydrophobicContact CD1-CG 4.36Å; Q291-L293 VanDerWaalsContact CD-CD2 3.5Å; Q291-L293 HydrophobicContact CG-CD2 3.85Å; L293-W326 HydrophobicContact CB-CD2 4.17Å; L293-W326 HydrophobicContact CB-CE3 3.87Å; L293-W326 HydrophobicContact CB-CH2 3.92Å; L293-W326 HydrophobicContact CB-CZ2 4.21Å; L293-W326 HydrophobicContact CB-CZ3 3.74Å; L293-W326 HydrophobicContact CD1-CB 3.98Å; L293-W326 HydrophobicContact CD1-CD2 3.61Å; L293-W326 HydrophobicContact CD1-CE3 3.91Å; L293-W326 HydrophobicContact CD1-CG 3.64Å; L293-W326 HydrophobicContact CG-CD2 4.48Å; L293-W326 HydrophobicContact CG-CE3 4.37Å
294	Q	98.4	Very high	98.3	Very high	165 Å²	165	50 Å²	50	77%	0.771	26%	0.256	S	S	*	.			trans	-105	139.7	178.9	-174.1	176.8	4.9	0	0	110	L278 W326	L278-Q294 HydrophobicContact CD2-CB 3.77Å; L278-Q294 HydrophobicContact CD2-CG 3.92Å; Q294-W326 WeakPolarHBondContact O-CH2 3.17Å
295	G	98	Very high	98.3	Very high	31 Å²	31	49.3 Å²	49.3	32%	0.32	25%	0.254	S	S	.	.			trans	160.5	-16.6	171.3	0	0	0	0	0	115.2	K324	G295-K324 VanDerWaalsContact C-CE 3.43Å; G295-K324 WeakPolarHBondContact O-CE 3.41Å; G295-K324 PolarHBondContact O-NZ 2.8Å; G295-K324 VanDerWaalsContact O-NZ 3.12Å
296	H	98.8	Very high	98.4	Very high	13 Å²	13	43.2 Å²	43.2	6%	0.06	23%	0.225	C	C	.	.			trans	-80.5	153.5	171.3	-76.8	-70	0	0	0	111.6	V300 S314 A316 D320 T322 K324	H296-V300 HydrophobicContact CB-CG2 3.88Å; H296-S314 PolarHBondContact CD2-OG 2.83Å; H296-S314 PolarHBondContact NE2-O 2.81Å; H296-S314 PolarHBondContact NE2-OG 3.41Å; H296-A316 HydrophobicContact CB-CB 4.12Å; H296-A316 WeakPolarHBondContact ND1-CB 3.19Å; H296-D320 WeakPolarHBondContact CA-OD2 3.16Å; H296-D320 VanDerWaalsContact CB-OD2 3.31Å; H296-D320 WeakPolarHBondContact CB-OD2 3.31Å; H296-D320 IonicContact CE1-OD1 3.92Å; H296-D320 IonicContact CG-OD2 3.08Å; H296-D320 VanDerWaalsContact ND1-CG 3.33Å; H296-D320 IonicContact ND1-OD1 3.27Å; H296-D320 PolarHBondContact ND1-OD1 3.39Å; H296-D320 IonicContact ND1-OD2 2.89Å; H296-D320 PolarHBondContact ND1-OD2 3.12Å; H296-T322 PolarHBondContact CE1-O 3.33Å; H296-K324 WeakPolarHBondContact ND1-CE 3.36Å
297	T	98.6	Very high	98.5	Very high	94 Å²	94	42.8 Å²	42.8	58%	0.577	22%	0.223	S	C	*	.	S	Bend	trans	-108.4	0.2	-179.5	54.7	0	0	0	0	113.6	N277 N319 D320	N277-T297 PolarHBondContact ND2-O 2.85Å; T297-N319 PolarHBondContact OG1-O 3.39Å; T297-D320 PolarHBondContact N-OD2 2.54Å; T297-D320 WeakPolarHBondContact OG1-CB 3.46Å; T297-D320 PolarHBondContact OG1-OD2 2.86Å
298	D	98.8	Very high	98.4	Very high	22 Å²	22	41.7 Å²	41.7	12%	0.118	23%	0.226	C	C	.	.	S	Bend	trans	-143.9	175.8	174.4	-152.8	-18	0	0	0	110	N277 V300 L317 N319 D320	N277-D298 WeakPolarHBondContact CA-O 3.41Å; N277-D298 WeakPolarHBondContact CB-O 3.45Å; N277-D298 VanDerWaalsContact CG-C 3.4Å; N277-D298 WeakPolarHBondContact OD1-CA 3.22Å; N277-D298 PolarHBondContact OD1-O 3.26Å; D298-V300 PolarHBondContact O-N 3.35Å; D298-L317 HydrophobicContact CB-CB 4.42Å; D298-N319 HydrophobicContact CB-CB 4.02Å; D298-N319 VanDerWaalsContact OD2-CB 3.24Å; D298-N319 WeakPolarHBondContact OD2-CB 3.42Å; D298-N319 PolarHBondContact OD2-N 2.89Å; D298-N319 PolarHBondContact OD2-ND2 3.31Å; D298-D320 HydrophobicContact CB-CB 3.85Å
299	V	98.9	Very high	98.3	Very high	10 Å²	10	40.2 Å²	40.2	6%	0.061	22%	0.219	C	C	.	.			trans	-47.7	127.2	178.7	175.6	0	0	0	0	110.1	Y256 I258 E275 N277 I301 A316 L317	Y256-V299 HydrophobicContact CD2-CG1 3.98Å; Y256-V299 HydrophobicContact CD2-CG2 4.26Å; Y256-V299 HydrophobicContact CE2-CG1 4.41Å; Y256-V299 HydrophobicContact CE2-CG2 3.92Å; Y256-V299 HydrophobicContact CG-CG1 4.39Å; I258-V299 HydrophobicContact CD1-CG1 4.3Å; E275-V299 HydrophobicContact CB-CG1 4.48Å; E275-V299 HydrophobicContact CB-CG2 4.25Å; E275-V299 HydrophobicContact CG-CG1 4.09Å; E275-V299 HydrophobicContact CG-CG2 4.42Å; N277-V299 PolarHBondContact OD1-N 2.86Å; V299-I301 PolarHBondContact O-N 2.78Å; V299-A316 WeakPolarHBondContact O-CA 3.35Å; V299-A316 WeakPolarHBondContact O-CB 3.15Å; V299-L317 HydrophobicContact CB-CD1 3.68Å; V299-L317 HydrophobicContact CB-CG 3.97Å; V299-L317 HydrophobicContact CG1-CD1 4.05Å; V299-L317 HydrophobicContact CG1-CG 4.4Å; V299-L317 HydrophobicContact CG2-CD1 4.15Å; V299-L317 PolarHBondContact O-N 3.38Å; V299-L317 VanDerWaalsContact O-N 3.12Å
300	V	98.9	Very high	98.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	96.5	172.6	-176.7	0	0	0	0	107.9	G273 S274 V279 H296 D298 A315	G273-V300 CarbonylContact C-O 3.55Å; G273-V300 VanDerWaalsContact CA-O 3.3Å; G273-V300 WeakPolarHBondContact CA-O 3.26Å; S274-V300 PolarHBondContact N-O 3.1Å; S274-V300 PolarHBondContact O-N 2.6Å; V279-V300 HydrophobicContact CG2-CG1 4.01Å; H296-V300 HydrophobicContact CB-CG2 3.88Å; D298-V300 PolarHBondContact O-N 3.35Å; V300-A315 CarbonylContact C-O 3.55Å; V300-A315 WeakPolarHBondContact CA-O 3.49Å
301	I	98.9	Very high	98.3	Very high	14 Å²	14	37.8 Å²	37.8	7%	0.072	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-31.7	-175.1	-171.4	62.9	0	0	0	112.6	V44 Y256 I258 F259 V299 A315 L317	V44-I301 WeakPolarHBondContact O-CG2 3.41Å; Y256-I301 HydrophobicContact CD1-CD1 4.26Å; Y256-I301 HydrophobicContact CG-CD1 4.24Å; I258-I301 WeakPolarHBondContact CA-O 3.3Å; I258-I301 HydrophobicContact CG1-CD1 4.25Å; F259-I301 PolarHBondContact N-O 2.82Å; F259-I301 VanDerWaalsContact N-O 3.12Å; V299-I301 PolarHBondContact O-N 2.78Å; I301-A315 PolarHBondContact N-O 3.18Å; I301-L317 HydrophobicContact CB-CD2 3.72Å; I301-L317 HydrophobicContact CB-CG 4.2Å; I301-L317 HydrophobicContact CG1-CD2 4.06Å; I301-L317 HydrophobicContact CG2-CD2 3.8Å
302	S	98.8	Very high	98.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137	-174.2	-164.7	0	0	0	0	111.2	V47 S314 A315	V47-S302 PolarHBondContact N-OG 2.65Å; V47-S302 VanDerWaalsContact N-OG 3.13Å; S302-S314 CarbonylContact O-C 3.54Å; S302-S314 VanDerWaalsContact O-CA 3.26Å; S302-S314 WeakPolarHBondContact O-CA 3.34Å; S302-A315 PolarHBondContact N-O 3.22Å; S302-A315 PolarHBondContact O-N 3.4Å
303	A	98.4	Very high	98.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.7	166.7	0	0	0	0	0	108.7	N261 V271 A313	N261-A303 PolarHBondContact ND2-O 3.01Å; V271-A303 HydrophobicContact CG1-CB 4.15Å; A303-A313 CarbonylContact C-O 3.56Å; A303-A313 WeakPolarHBondContact CA-O 3.49Å
304	A	98.7	Very high	98.3	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.033	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.4	173.3	0	0	0	0	0	110.1	V47 F49 I312 A313	V47-A304 HydrophobicContact CG2-CB 4.29Å; V47-A304 WeakPolarHBondContact O-CB 3.34Å; F49-A304 HydrophobicContact CD2-CB 3.99Å; F49-A304 HydrophobicContact CE2-CB 4.3Å; A304-I312 CarbonylContact O-C 3.58Å; A304-I312 VanDerWaalsContact O-CA 3.29Å; A304-I312 WeakPolarHBondContact O-CA 3.22Å; A304-A313 PolarHBondContact N-O 3.42Å; A304-A313 PolarHBondContact O-N 2.81Å
305	C	98.6	Very high	98.3	Very high	22 Å²	22	22.8 Å²	22.8	15%	0.149	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.1	172.1	-59.2	0	0	0	0	109.2
306	H	98.6	Very high	98.4	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.014	12%	0.122	C	C	.	.			trans	-66.4	146.4	176.1	-174.6	-82.2	0	0	0	110.8	F49 G53 Y71 T265 T308 E309 L311	F49-H306 HydrophobicContact CD1-CB 4.49Å; F49-H306 AromaticContact CD1-CD2 3.61Å; F49-H306 VanDerWaalsContact CD2-CA 3.49Å; F49-H306 HydrophobicContact CD2-CB 3.97Å; F49-H306 HydrophobicContact CE1-CB 4.47Å; F49-H306 AromaticContact CE1-CD2 3.8Å; F49-H306 HydrophobicContact CE2-CB 3.93Å; F49-H306 HydrophobicContact CG-CB 4.25Å; F49-H306 HydrophobicContact CZ-CB 4.19Å; G53-H306 WeakPolarHBondContact CA-NE2 3.33Å; G53-H306 PolarHBondContact O-NE2 3.19Å; Y71-H306 AromaticContact CE1-NE2 3.88Å; Y71-H306 AromaticContact CZ-NE2 3.81Å; T265-H306 WeakPolarHBondContact CG2-O 3.46Å; H306-T308 PolarHBondContact CE1-OG1 3.49Å; H306-T308 PolarHBondContact ND1-N 2.91Å; H306-T308 PolarHBondContact O-N 2.94Å; H306-E309 PolarHBondContact ND1-N 2.9Å; H306-L311 HydrophobicContact CB-CB 3.69Å; H306-L311 HydrophobicContact CB-CD2 4.23Å; H306-L311 HydrophobicContact CB-CG 4.25Å; H306-L311 WeakPolarHBondContact CB-O 3.24Å; H306-L311 PolarHBondContact N-O 2.91Å
307	P	97.4	Very high	98.4	Very high	54 Å²	54	21.7 Å²	21.7	35%	0.351	12%	0.124	S	C	.	.	S	Bend	trans	-68.3	-28.6	-173.1	24.7	-36.2	0	0	0	114.9	T265	T265-P307 WeakPolarHBondContact CG2-O 3.34Å
308	T	96.7	Very high	98.3	Very high	82 Å²	82	20.9 Å²	20.9	50%	0.503	11%	0.114	S	C	.	.	S	Bend	trans	-124.4	-43.4	-175	61.4	0	0	0	0	114.2	T265 H306	T265-T308 VanDerWaalsContact CB-O 3.29Å; T265-T308 WeakPolarHBondContact CB-O 3.49Å; T265-T308 WeakPolarHBondContact CG2-O 3.44Å; H306-T308 PolarHBondContact CE1-OG1 3.49Å; H306-T308 PolarHBondContact ND1-N 2.91Å; H306-T308 PolarHBondContact O-N 2.94Å
309	E	97	Very high	98.3	Very high	98 Å²	98	26 Å²	26	46%	0.458	14%	0.141	S	C	.	.	S	Bend	trans	-85.2	157.2	177.1	-55.2	-48.6	128.9	0	0	115.1	Y71 T265 H306 L311	Y71-E309 HydrophobicContact CE1-CG 3.8Å; T265-E309 PolarHBondContact OG1-O 2.64Å; H306-E309 PolarHBondContact ND1-N 2.9Å; E309-L311 HydrophobicContact CB-CB 4.29Å; E309-L311 PolarHBondContact O-N 2.95Å
310	N	97	Very high	98.3	Very high	27 Å²	27	26.3 Å²	26.3	14%	0.144	14%	0.143	C	C	.	.	S	Bend	trans	-76.6	64.7	169.5	-62.6	-42.2	0	0	0	111.4	Y31 T265 G266 I327 S328 H330	Y31-N310 WeakPolarHBondContact CE1-O 3.31Å; T265-N310 WeakPolarHBondContact CB-OD1 3.35Å; T265-N310 PolarHBondContact OG1-OD1 2.97Å; G266-N310 WeakPolarHBondContact CA-OD1 3.17Å; G266-N310 PolarHBondContact N-OD1 3.19Å; N310-I327 WeakPolarHBondContact O-CA 3.09Å; N310-S328 PolarHBondContact O-N 3.05Å; N310-H330 PolarHBondContact ND2-O 3.21Å
311	L	97.9	Very high	98.2	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.026	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.6	-179	175.5	71.7	0	0	0	109.8	F49 A70 H306 E309 L325 W326 I327	F49-L311 HydrophobicContact CE1-CD2 3.7Å; F49-L311 HydrophobicContact CE1-CG 4.38Å; F49-L311 HydrophobicContact CZ-CD2 3.62Å; F49-L311 HydrophobicContact CZ-CG 3.79Å; A70-L311 VanDerWaalsContact O-CD2 3.24Å; A70-L311 WeakPolarHBondContact O-CD2 3.36Å; H306-L311 HydrophobicContact CB-CB 3.69Å; H306-L311 HydrophobicContact CB-CD2 4.23Å; H306-L311 HydrophobicContact CB-CG 4.25Å; H306-L311 WeakPolarHBondContact CB-O 3.24Å; H306-L311 PolarHBondContact N-O 2.91Å; E309-L311 HydrophobicContact CB-CB 4.29Å; E309-L311 PolarHBondContact O-N 2.95Å; L311-L325 HydrophobicContact CD1-CB 4.16Å; L311-L325 HydrophobicContact CD1-CD2 4.32Å; L311-W326 CarbonylContact C-O 3.58Å; L311-W326 VanDerWaalsContact CA-O 3.31Å; L311-W326 WeakPolarHBondContact CA-O 3.34Å; L311-W326 WeakPolarHBondContact CD1-O 3.48Å; L311-I327 HydrophobicContact CD1-CB 4.44Å
312	I	98.7	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.9	173.5	-68.1	167.8	0	0	0	108.2	Y31 V271 I281 A304 L325 W326	Y31-I312 HydrophobicContact CD1-CB 4.44Å; Y31-I312 HydrophobicContact CD1-CD1 3.84Å; Y31-I312 HydrophobicContact CD1-CG1 4.12Å; Y31-I312 HydrophobicContact CD2-CD1 3.93Å; Y31-I312 HydrophobicContact CE1-CB 4.26Å; Y31-I312 HydrophobicContact CE1-CD1 3.56Å; Y31-I312 HydrophobicContact CE1-CG1 3.59Å; Y31-I312 HydrophobicContact CE2-CD1 3.66Å; Y31-I312 HydrophobicContact CG-CD1 4.02Å; Y31-I312 VanDerWaalsContact CZ-CD1 3.46Å; V271-I312 HydrophobicContact CG1-CD1 3.98Å; V271-I312 HydrophobicContact CG1-CG2 4.36Å; V271-I312 HydrophobicContact CG2-CD1 4Å; I281-I312 HydrophobicContact CD1-CD1 3.75Å; I281-I312 HydrophobicContact CG1-CD1 4.5Å; A304-I312 CarbonylContact O-C 3.58Å; A304-I312 VanDerWaalsContact O-CA 3.29Å; A304-I312 WeakPolarHBondContact O-CA 3.22Å; I312-L325 CarbonylContact O-C 3.45Å; I312-L325 WeakPolarHBondContact O-CA 3.39Å; I312-W326 HydrophobicContact CB-CB 4.32Å; I312-W326 PolarHBondContact N-O 3.35Å; I312-W326 PolarHBondContact O-N 3.29Å
313	A	98.9	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.1	161.8	0	0	0	0	0	108.4	V47 F49 L56 A303 A304 K324 L325	V47-A313 HydrophobicContact CG2-CB 4.15Å; F49-A313 HydrophobicContact CE2-CB 3.73Å; F49-A313 HydrophobicContact CZ-CB 3.73Å; L56-A313 HydrophobicContact CD1-CB 3.66Å; L56-A313 HydrophobicContact CD2-CB 3.87Å; L56-A313 HydrophobicContact CG-CB 4.45Å; A303-A313 CarbonylContact C-O 3.56Å; A303-A313 WeakPolarHBondContact CA-O 3.49Å; A304-A313 PolarHBondContact N-O 3.42Å; A304-A313 PolarHBondContact O-N 2.81Å; A313-K324 CarbonylContact C-O 3.45Å; A313-K324 WeakPolarHBondContact CA-O 3.41Å; A313-L325 HydrophobicContact CB-CD2 3.7Å
314	S	98.9	Very high	98.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.5	169.5	64.2	0	0	0	0	110.8	V279 H296 S302 I323 K324 W326	V279-S314 VanDerWaalsContact CG2-CB 3.5Å; H296-S314 PolarHBondContact CD2-OG 2.83Å; H296-S314 PolarHBondContact NE2-O 2.81Å; H296-S314 PolarHBondContact NE2-OG 3.41Å; S302-S314 CarbonylContact O-C 3.54Å; S302-S314 VanDerWaalsContact O-CA 3.26Å; S302-S314 WeakPolarHBondContact O-CA 3.34Å; S314-I323 CarbonylContact O-C 3.53Å; S314-I323 WeakPolarHBondContact O-CA 3.23Å; S314-I323 WeakPolarHBondContact O-CG2 3.35Å; S314-K324 PolarHBondContact N-O 3.05Å; S314-K324 PolarHBondContact O-N 2.83Å; S314-W326 PolarHBondContact OG-NE1 2.88Å
315	A	98.9	Very high	98.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148.1	-178.5	0	0	0	0	0	111	V44 V47 V300 I301 S302 I323	V44-A315 HydrophobicContact CB-CB 3.88Å; V44-A315 HydrophobicContact CG1-CB 3.55Å; V47-A315 HydrophobicContact CG1-CB 3.65Å; V47-A315 HydrophobicContact CG2-CB 4.21Å; V300-A315 CarbonylContact C-O 3.55Å; V300-A315 WeakPolarHBondContact CA-O 3.49Å; I301-A315 PolarHBondContact N-O 3.18Å; S302-A315 PolarHBondContact N-O 3.22Å; S302-A315 PolarHBondContact O-N 3.4Å; A315-I323 HydrophobicContact CB-CG1 3.93Å
316	A	98.8	Very high	98.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	164.3	-172.9	0	0	0	0	0	113.6	V44 H296 V299 D320 T322	V44-A316 PolarHBondContact N-O 2.76Å; H296-A316 HydrophobicContact CB-CB 4.12Å; H296-A316 WeakPolarHBondContact ND1-CB 3.19Å; V299-A316 WeakPolarHBondContact O-CA 3.35Å; V299-A316 WeakPolarHBondContact O-CB 3.15Å; A316-D320 HydrophobicContact CB-CB 3.59Å; A316-T322 PolarHBondContact N-O 2.91Å
317	L	98.7	Very high	98.2	Very high	20 Å²	20	32.1 Å²	32.1	11%	0.105	17%	0.168	C	C	.	.			trans	-75.3	-167.4	-175.2	-62.8	-172.7	0	0	0	113.5	A43 Y256 D298 V299 I301 N319 D320 K321	A43-L317 HydrophobicContact CB-CB 4.4Å; A43-L317 HydrophobicContact CB-CD2 4.17Å; Y256-L317 HydrophobicContact CD1-CD1 3.88Å; Y256-L317 HydrophobicContact CD2-CD1 4.47Å; Y256-L317 HydrophobicContact CE1-CD1 3.42Å; Y256-L317 VanDerWaalsContact CE1-CD1 3.42Å; Y256-L317 HydrophobicContact CE2-CD1 4.08Å; Y256-L317 HydrophobicContact CG-CD1 4.38Å; D298-L317 HydrophobicContact CB-CB 4.42Å; V299-L317 HydrophobicContact CB-CD1 3.68Å; V299-L317 HydrophobicContact CB-CG 3.97Å; V299-L317 HydrophobicContact CG1-CD1 4.05Å; V299-L317 HydrophobicContact CG1-CG 4.4Å; V299-L317 HydrophobicContact CG2-CD1 4.15Å; V299-L317 PolarHBondContact O-N 3.38Å; V299-L317 VanDerWaalsContact O-N 3.12Å; I301-L317 HydrophobicContact CB-CD2 3.72Å; I301-L317 HydrophobicContact CB-CG 4.2Å; I301-L317 HydrophobicContact CG1-CD2 4.06Å; I301-L317 HydrophobicContact CG2-CD2 3.8Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 2.96Å; L317-N319 VanDerWaalsContact O-N 3.17Å; L317-D320 PolarHBondContact O-N 3.17Å; L317-K321 PolarHBondContact O-N 2.85Å
318	E	97.4	Very high	98.1	Very high	78 Å²	78	30 Å²	30	36%	0.364	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.6	-163.9	-171.6	57.9	-146.5	0	0	115.2	E42 A43 D320 K321	E42-E318 WeakPolarHBondContact CA-OE2 3.4Å; E42-E318 WeakPolarHBondContact CB-OE2 3.4Å; A43-E318 HydrophobicContact CB-CB 4.26Å; A43-E318 PolarHBondContact N-OE2 3.35Å; E318-D320 PolarHBondContact O-N 2.72Å; E318-K321 WeakPolarHBondContact O-CE 3.44Å; E318-K321 WeakPolarHBondContact O-CG 3.41Å; E318-K321 WeakPolarHBondContact OE1-CE 3.05Å; E318-K321 IonicContact OE1-NZ 2.54Å; E318-K321 PolarHBondContact OE1-NZ 3.01Å
319	N	97.9	Very high	97.4	Very high	128 Å²	128	32.4 Å²	32.4	68%	0.684	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.4	179.7	-56.8	-65.9	0	0	0	113.4	T297 D298 L317	T297-N319 PolarHBondContact OG1-O 3.39Å; D298-N319 HydrophobicContact CB-CB 4.02Å; D298-N319 VanDerWaalsContact OD2-CB 3.24Å; D298-N319 WeakPolarHBondContact OD2-CB 3.42Å; D298-N319 PolarHBondContact OD2-N 2.89Å; D298-N319 PolarHBondContact OD2-ND2 3.31Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 2.96Å; L317-N319 VanDerWaalsContact O-N 3.17Å
320	D	98.5	Very high	95.7	Very high	18 Å²	18	33.9 Å²	33.9	10%	0.096	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-55.4	179.1	-176	-61.7	0	0	0	111.4	H296 T297 D298 A316 L317 E318 T322	H296-D320 WeakPolarHBondContact CA-OD2 3.16Å; H296-D320 VanDerWaalsContact CB-OD2 3.31Å; H296-D320 WeakPolarHBondContact CB-OD2 3.31Å; H296-D320 IonicContact CE1-OD1 3.92Å; H296-D320 IonicContact CG-OD2 3.08Å; H296-D320 VanDerWaalsContact ND1-CG 3.33Å; H296-D320 IonicContact ND1-OD1 3.27Å; H296-D320 PolarHBondContact ND1-OD1 3.39Å; H296-D320 IonicContact ND1-OD2 2.89Å; H296-D320 PolarHBondContact ND1-OD2 3.12Å; T297-D320 PolarHBondContact N-OD2 2.54Å; T297-D320 WeakPolarHBondContact OG1-CB 3.46Å; T297-D320 PolarHBondContact OG1-OD2 2.86Å; D298-D320 HydrophobicContact CB-CB 3.85Å; A316-D320 HydrophobicContact CB-CB 3.59Å; L317-D320 PolarHBondContact O-N 3.17Å; E318-D320 PolarHBondContact O-N 2.72Å; D320-T322 VanDerWaalsContact O-CG2 3.31Å; D320-T322 WeakPolarHBondContact O-CG2 3.42Å; D320-T322 PolarHBondContact O-N 2.86Å; D320-T322 WeakPolarHBondContact OD1-CA 3.08Å; D320-T322 VanDerWaalsContact OD1-CB 3.23Å; D320-T322 WeakPolarHBondContact OD1-CB 2.77Å; D320-T322 PolarHBondContact OD1-N 2.78Å; D320-T322 PolarHBondContact OD1-OG1 2.89Å
321	K	98.6	Very high	95.7	Very high	67 Å²	67	34.2 Å²	34.2	29%	0.291	17%	0.172	S	C	.	.			trans	60.5	4.3	179	-42.3	178.2	-175	-157.2	0	115.4	T41 V44 L317 E318	T41-K321 WeakPolarHBondContact O-CD 3.08Å; T41-K321 PolarHBondContact O-NZ 3.27Å; V44-K321 WeakPolarHBondContact CG2-O 3.4Å; L317-K321 PolarHBondContact O-N 2.85Å; E318-K321 WeakPolarHBondContact O-CE 3.44Å; E318-K321 WeakPolarHBondContact O-CG 3.41Å; E318-K321 WeakPolarHBondContact OE1-CE 3.05Å; E318-K321 IonicContact OE1-NZ 2.54Å; E318-K321 PolarHBondContact OE1-NZ 3.01Å
322	T	98.8	Very high	95.5	Very high	19 Å²	19	35.7 Å²	35.7	12%	0.117	18%	0.179	C	C	.	.			trans	-99.4	161.5	-177.4	77.6	0	0	0	0	112	T36 V38 H296 A316 D320	T36-T322 HydrophobicContact CG2-CG2 3.91Å; V38-T322 HydrophobicContact CG2-CG2 4.02Å; H296-T322 PolarHBondContact CE1-O 3.33Å; A316-T322 PolarHBondContact N-O 2.91Å; D320-T322 VanDerWaalsContact O-CG2 3.31Å; D320-T322 WeakPolarHBondContact O-CG2 3.42Å; D320-T322 PolarHBondContact O-N 2.86Å; D320-T322 WeakPolarHBondContact OD1-CA 3.08Å; D320-T322 VanDerWaalsContact OD1-CB 3.23Å; D320-T322 WeakPolarHBondContact OD1-CB 2.77Å; D320-T322 PolarHBondContact OD1-N 2.78Å; D320-T322 PolarHBondContact OD1-OG1 2.89Å
323	I	98.9	Very high	95.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.1	168.2	-58.4	155.2	0	0	0	107.4	T36 L37 V44 V47 L56 S58 W68 S314 A315	T36-I323 CarbonylContact C-O 3.39Å; T36-I323 WeakPolarHBondContact CA-O 3.38Å; L37-I323 HydrophobicContact CB-CB 4.13Å; L37-I323 HydrophobicContact CD2-CG2 4.5Å; L37-I323 PolarHBondContact N-O 3.33Å; L37-I323 PolarHBondContact O-N 3.06Å; V44-I323 HydrophobicContact CG1-CD1 4.3Å; V44-I323 HydrophobicContact CG1-CG1 4.11Å; V44-I323 HydrophobicContact CG2-CG1 4.26Å; V47-I323 HydrophobicContact CG1-CD1 3.99Å; V47-I323 HydrophobicContact CG1-CG1 3.94Å; V47-I323 HydrophobicContact CG1-CG2 4.06Å; L56-I323 HydrophobicContact CD2-CG2 3.89Å; S58-I323 WeakPolarHBondContact OG-CD1 3.31Å; W68-I323 HydrophobicContact CZ2-CD1 4.12Å; S314-I323 CarbonylContact O-C 3.53Å; S314-I323 WeakPolarHBondContact O-CA 3.23Å; S314-I323 WeakPolarHBondContact O-CG2 3.35Å; A315-I323 HydrophobicContact CB-CG1 3.93Å
324	K	98.9	Very high	95.2	Very high	20 Å²	20	39.9 Å²	39.9	9%	0.087	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.4	177.9	-69.9	175.3	-163.7	-80.6	0	110.3	L33 T36 G295 H296 A313 S314 W326	L33-K324 HydrophobicContact CD1-CB 3.68Å; L33-K324 HydrophobicContact CD1-CD 4.08Å; L33-K324 HydrophobicContact CD1-CG 3.85Å; T36-K324 HydrophobicContact CG2-CG 4.29Å; T36-K324 PolarHBondContact OG1-NZ 3.5Å; G295-K324 VanDerWaalsContact C-CE 3.43Å; G295-K324 WeakPolarHBondContact O-CE 3.41Å; G295-K324 PolarHBondContact O-NZ 2.8Å; G295-K324 VanDerWaalsContact O-NZ 3.12Å; H296-K324 WeakPolarHBondContact ND1-CE 3.36Å; A313-K324 CarbonylContact C-O 3.45Å; A313-K324 WeakPolarHBondContact CA-O 3.41Å; S314-K324 PolarHBondContact N-O 3.05Å; S314-K324 PolarHBondContact O-N 2.83Å; K324-W326 HydrophobicContact CB-CZ2 3.67Å; K324-W326 HydrophobicContact CD-CH2 4.02Å; K324-W326 HydrophobicContact CD-CZ2 3.67Å; K324-W326 HydrophobicContact CG-CZ2 4.29Å; K324-W326 PolarHBondContact O-NE1 3.22Å
325	L	98.8	Very high	94.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.8	172.2	-70.6	-177.8	0	0	0	109.8	R34 C35 L37 F49 L56 A70 L311 I312 A313	R34-L325 WeakPolarHBondContact CB-O 3.44Å; R34-L325 PolarHBondContact N-O 2.98Å; C35-L325 PolarHBondContact N-O 2.75Å; C35-L325 PolarHBondContact O-N 2.8Å; L37-L325 HydrophobicContact CD1-CB 4.41Å; L37-L325 HydrophobicContact CD1-CD1 3.91Å; L37-L325 HydrophobicContact CD1-CG 3.71Å; L37-L325 HydrophobicContact CD2-CD1 4.45Å; F49-L325 HydrophobicContact CE1-CD2 4.37Å; F49-L325 HydrophobicContact CZ-CD2 3.94Å; L56-L325 HydrophobicContact CD2-CD2 4.14Å; A70-L325 WeakPolarHBondContact O-CD1 3.46Å; L311-L325 HydrophobicContact CD1-CB 4.16Å; L311-L325 HydrophobicContact CD1-CD2 4.32Å; I312-L325 CarbonylContact O-C 3.45Å; I312-L325 WeakPolarHBondContact O-CA 3.39Å; A313-L325 HydrophobicContact CB-CD2 3.7Å
326	W	98.6	Very high	94.7	Very high	8 Å²	8	45.3 Å²	45.3	3%	0.03	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.4	-177.3	-41	81.1	0	0	0	109.8	Y31 A32 L33 L293 Q294 L311 I312 S314 K324	Y31-W326 HydrophobicContact CD1-CB 4.11Å; Y31-W326 WeakPolarHBondContact CD1-O 3.4Å; A32-W326 CarbonylContact O-C 3.59Å; A32-W326 VanDerWaalsContact O-CA 3.26Å; A32-W326 WeakPolarHBondContact O-CA 3.42Å; L33-W326 HydrophobicContact CB-CE3 3.92Å; L33-W326 HydrophobicContact CB-CZ3 3.85Å; L33-W326 HydrophobicContact CD1-CD2 4.41Å; L33-W326 HydrophobicContact CD1-CE3 4.28Å; L33-W326 HydrophobicContact CD1-CH2 4.38Å; L33-W326 HydrophobicContact CD1-CZ3 4.25Å; L293-W326 HydrophobicContact CB-CD2 4.17Å; L293-W326 HydrophobicContact CB-CE3 3.87Å; L293-W326 HydrophobicContact CB-CH2 3.92Å; L293-W326 HydrophobicContact CB-CZ2 4.21Å; L293-W326 HydrophobicContact CB-CZ3 3.74Å; L293-W326 HydrophobicContact CD1-CB 3.98Å; L293-W326 HydrophobicContact CD1-CD2 3.61Å; L293-W326 HydrophobicContact CD1-CE3 3.91Å; L293-W326 HydrophobicContact CD1-CG 3.64Å; L293-W326 HydrophobicContact CG-CD2 4.48Å; L293-W326 HydrophobicContact CG-CE3 4.37Å; Q294-W326 WeakPolarHBondContact O-CH2 3.17Å; L311-W326 CarbonylContact C-O 3.58Å; L311-W326 VanDerWaalsContact CA-O 3.31Å; L311-W326 WeakPolarHBondContact CA-O 3.34Å; L311-W326 WeakPolarHBondContact CD1-O 3.48Å; I312-W326 HydrophobicContact CB-CB 4.32Å; I312-W326 PolarHBondContact N-O 3.35Å; I312-W326 PolarHBondContact O-N 3.29Å; S314-W326 PolarHBondContact OG-NE1 2.88Å; K324-W326 HydrophobicContact CB-CZ2 3.67Å; K324-W326 HydrophobicContact CD-CH2 4.02Å; K324-W326 HydrophobicContact CD-CZ2 3.67Å; K324-W326 HydrophobicContact CG-CZ2 4.29Å; K324-W326 PolarHBondContact O-NE1 3.22Å
327	I	97.1	Very high	94.4	Very high	50 Å²	50	48.5 Å²	48.5	26%	0.256	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.6	-179.3	-166.8	167.9	0	0	0	110.7	Y31 A32 R34 N310 L311	Y31-I327 CarbonylContact C-O 3.56Å; Y31-I327 WeakPolarHBondContact CA-O 3.13Å; A32-I327 PolarHBondContact N-O 3.45Å; A32-I327 PolarHBondContact O-N 3.33Å; R34-I327 HydrophobicContact CB-CG2 4.13Å; N310-I327 WeakPolarHBondContact O-CA 3.09Å; L311-I327 HydrophobicContact CD1-CB 4.44Å
328	S	94.4	Very high	94	Very high	10 Å²	10	50.7 Å²	50.7	7%	0.07	25%	0.254	C	S	.	.			trans	-107.1	137.3	170.5	-167.4	0	0	0	0	109.1	N30 N310 H330	N30-S328 PolarHBondContact N-OG 2.85Å; N30-S328 WeakPolarHBondContact OD1-CA 3.36Å; N30-S328 PolarHBondContact OD1-OG 2.82Å; N310-S328 PolarHBondContact O-N 3.05Å; S328-H330 VanDerWaalsContact C-N 3.3Å
329	N	82.5	Confident	93.7	Very high	132 Å²	132	48.4 Å²	48.4	71%	0.706	25%	0.245	S	C	*	.			trans	-93	11.7	-178.8	-62.7	-30.8	0	0	0	112.8	N30	N30-N329 PolarHBondContact OD1-N 3.44Å
330	H	62	Low	93.4	Very high	128 Å²	128	41.2 Å²	41.2	59%	0.593	21%	0.205	S	C	*	.			trans	-114.3	0	178.2	-67.2	-36.9	0	0	0	109.2	N30 N310 S328	N30-H330 PolarHBondContact ND2-CD2 2.88Å; N30-H330 PolarHBondContact ND2-NE2 2.62Å; N30-H330 PolarHBondContact OD1-CD2 2.82Å; N310-H330 PolarHBondContact ND2-O 3.21Å; S328-H330 VanDerWaalsContact C-N 3.3Å

Retrieved 330 of 330 residues in 163 ms (Link to these results)

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