A0A096ND78_PAPAN Loading...

WD repeat domain 5B

AlphaFold DB (A0A2K5UK70), UniProt , Accession A0A096ND78, Species PAPAN (Papio anubis, Olive baboon), Gene WDR5B, Length 330 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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 69.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).