A0A077YVT8_TRITR Loading...

WD repeat containing protein 5

AlphaFold DB , UniProt , Accession A0A077YVT8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	38.8	Very low	236 Å²	236	150.1 Å²	150.1	100%	1.163	87%	0.866	S	S	*	*				0	86.6	0	-71.3	170.9	72.4	0	0	106
2	S	42.9	Very low	38.3	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	86%	0.858	S	S	*	*				90.4	77.4	117.2	57.9	0	0	0	0	110.4
3	E	39.5	Very low	38.6	Very low	198 Å²	198	141.8 Å²	141.8	93%	0.925	85%	0.848	S	S	*	*				79.4	90.3	94.5	-85.3	-173.2	155.5	0	0	112.1
4	E	37.1	Very low	39.2	Very low	202 Å²	202	139.8 Å²	139.8	94%	0.944	84%	0.844	S	S	*	*			trans	-76.8	115	160.7	-70.9	179.3	156.2	0	0	108.4
5	C	41.9	Very low	40.7	Very low	125 Å²	125	141.7 Å²	141.7	85%	0.845	84%	0.837	S	S	*	*			trans	-104.3	109.5	168.9	-134.2	0	0	0	0	108.1
6	S	34.6	Very low	42.9	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	82%	0.824	S	S	*	*			trans	-76.2	128	172	44	0	0	0	0	109.5
7	V	42	Very low	45.4	Very low	133 Å²	133	138.6 Å²	138.6	81%	0.806	81%	0.806	S	S	*	*			trans	-112.3	118.4	169.3	-175.9	0	0	0	0	108.2
8	S	39.1	Very low	48.1	Very low	100 Å²	100	131.5 Å²	131.5	70%	0.699	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-51	137	179.2	49.7	0	0	0	0	114	N10	S8-N10 PolarHBondContact O-N 3.42Å
9	Q	36.9	Very low	50.6	Low	196 Å²	196	127.4 Å²	127.4	92%	0.916	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-65.9	123.8	168.2	-68.7	-177.1	-5.8	0	0	110.5
10	N	38	Very low	52.9	Low	157 Å²	157	121.7 Å²	121.7	84%	0.84	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-61.2	128.3	172.4	-84.1	-29	0	0	0	111.1	S8 G12	S8-N10 PolarHBondContact O-N 3.42Å; N10-G12 PolarHBondContact O-N 3.49Å; N10-G12 VanDerWaalsContact O-N 3.12Å
11	G	33	Very low	55	Low	78 Å²	78	120.6 Å²	120.6	80%	0.804	69%	0.694	S	S	*	*			trans	-66.5	103.1	166.5	0	0	0	0	0	110.7	T13	G11-T13 PolarHBondContact O-N 2.79Å
12	G	32.7	Very low	57.6	Low	75 Å²	75	113.4 Å²	113.4	77%	0.773	66%	0.66	S	S	*	*			trans	-78.9	109	170.1	0	0	0	0	0	110.2	N10 S14	N10-G12 PolarHBondContact O-N 3.49Å; N10-G12 VanDerWaalsContact O-N 3.12Å; G12-S14 PolarHBondContact O-N 3.19Å
13	T	42.6	Very low	60.1	Low	118 Å²	118	113.2 Å²	113.2	72%	0.724	65%	0.646	S	S	*	*			trans	-67.5	108	160.1	38.5	0	0	0	0	107.5	G11 F15	G11-T13 PolarHBondContact O-N 2.79Å; T13-F15 PolarHBondContact O-N 3.44Å
14	S	47.1	Very low	62.5	Low	113 Å²	113	105.7 Å²	105.7	79%	0.79	61%	0.61	S	S	*	*			trans	-65.4	107.5	174.9	60.5	0	0	0	0	108.8	G12 R16	G12-S14 PolarHBondContact O-N 3.19Å; S14-R16 PolarHBondContact O-N 3.12Å
15	F	61.4	Low	65.3	Low	169 Å²	169	98.7 Å²	98.7	74%	0.741	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-62.6	119.4	170.8	-77.9	-89.5	0	0	0	108.8	T13	T13-F15 PolarHBondContact O-N 3.44Å
16	R	75.3	Confident	68	Low	166 Å²	166	93 Å²	93	63%	0.626	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-92.3	138.5	175.3	-166.2	174.7	178.4	-165.2	-9.5	109.2	S14 D319	S14-R16 PolarHBondContact O-N 3.12Å; R16-D319 IonicContact CZ-OD1 3.8Å; R16-D319 IonicContact CZ-OD2 2.95Å; R16-D319 IonicContact NE-OD2 3.96Å; R16-D319 PolarHBondContact NE-OD2 3.35Å; R16-D319 IonicContact NH1-OD1 2.79Å; R16-D319 PolarHBondContact NH1-OD1 3.36Å; R16-D319 IonicContact NH1-OD2 3.49Å; R16-D319 PolarHBondContact NH1-OD2 3.27Å; R16-D319 IonicContact NH2-OD1 3.27Å; R16-D319 PolarHBondContact NH2-OD1 3.39Å; R16-D319 IonicContact NH2-OD2 3.79Å; R16-D319 PolarHBondContact NH2-OD2 2.8Å
17	A	86.3	Confident	70.9	Confident	64 Å²	64	94.2 Å²	94.2	53%	0.529	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-65.5	150.1	173.6	0	0	0	0	0	110.6
18	P	93.1	Very high	73.4	Confident	11 Å²	11	89.6 Å²	89.6	7%	0.071	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-65.9	147.7	175.1	29.9	-34	0	0	0	110.7	Y20 Y258 M270 V279 Q280	P18-Y20 HydrophobicContact CB-CD2 4.03Å; P18-Y20 HydrophobicContact CB-CE2 4.05Å; P18-Y258 HydrophobicContact CB-CE2 4.2Å; P18-Y258 HydrophobicContact CG-CE1 4.3Å; P18-Y258 HydrophobicContact CG-CE2 4.14Å; P18-M270 HydrophobicContact CB-SD 3.99Å; P18-M270 HydrophobicContact CG-SD 3.64Å; P18-V279 HydrophobicContact CG-CB 4.25Å; P18-V279 HydrophobicContact CG-CG2 3.71Å; P18-Q280 HydrophobicContact CG-CB 4.5Å; P18-Q280 PolarHBondContact O-OE1 3.15Å
19	N	95.5	Very high	76.1	Confident	53 Å²	53	85.4 Å²	85.4	28%	0.283	49%	0.486	S	S	.	.			trans	-131	67.6	177.4	-170.1	34	0	0	0	111	E21 D317 V318 D319	N19-E21 PolarHBondContact ND2-OE1 2.75Å; N19-E21 PolarHBondContact O-N 3.01Å; N19-D317 WeakPolarHBondContact CA-OD1 3.47Å; N19-D317 PolarHBondContact N-OD1 3.08Å; N19-V318 HydrophobicContact CB-CG2 4.24Å; N19-V318 WeakPolarHBondContact ND2-CG2 3.44Å; N19-V318 PolarHBondContact O-N 2.97Å; N19-V318 VanDerWaalsContact O-N 3.15Å; N19-D319 WeakPolarHBondContact CB-OD2 3.18Å
20	Y	97.4	Very high	79	Confident	13 Å²	13	80.5 Å²	80.5	5%	0.051	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	119.9	174	-76.9	-100.7	0	0	0	111.8	P18 M270 Q280 M282 K299 I301 W315 A316 D317	P18-Y20 HydrophobicContact CB-CD2 4.03Å; P18-Y20 HydrophobicContact CB-CE2 4.05Å; Y20-M270 HydrophobicContact CD2-CE 3.43Å; Y20-M270 VanDerWaalsContact CD2-CE 3.43Å; Y20-M270 HydrophobicContact CD2-SD 4.31Å; Y20-M270 HydrophobicContact CE2-CE 3.55Å; Y20-M270 HydrophobicContact CE2-SD 4.14Å; Y20-M270 HydrophobicContact CG-CE 4.08Å; Y20-Q280 PolarHBondContact O-NE2 2.58Å; Y20-M282 VanDerWaalsContact CB-SD 3.53Å; Y20-M282 HydrophobicContact CG-SD 4.16Å; Y20-K299 VanDerWaalsContact CE1-O 3.22Å; Y20-K299 WeakPolarHBondContact CE1-O 3.49Å; Y20-I301 HydrophobicContact CD1-CD1 3.76Å; Y20-I301 HydrophobicContact CD1-CG1 4.04Å; Y20-I301 HydrophobicContact CD2-CD1 4.46Å; Y20-I301 HydrophobicContact CE1-CB 4.42Å; Y20-I301 HydrophobicContact CE1-CD1 3.6Å; Y20-I301 HydrophobicContact CE1-CG1 3.62Å; Y20-I301 HydrophobicContact CE2-CD1 4.34Å; Y20-I301 HydrophobicContact CG-CD1 4.19Å; Y20-W315 HydrophobicContact CD1-CB 3.98Å; Y20-A316 CarbonylContact C-O 3.57Å; Y20-A316 WeakPolarHBondContact CA-O 3.42Å; Y20-D317 HydrophobicContact CD1-CB 4.4Å; Y20-D317 HydrophobicContact CD2-CB 4.09Å; Y20-D317 HydrophobicContact CE1-CB 4.19Å; Y20-D317 HydrophobicContact CE2-CB 3.86Å; Y20-D317 HydrophobicContact CG-CB 4.36Å
21	E	97	Very high	81.8	Confident	99 Å²	99	77.3 Å²	77.3	46%	0.463	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	156.7	175.3	-63.6	-177.6	-170.9	0	0	110.7	N19 K23 W315 A316 V318	N19-E21 PolarHBondContact ND2-OE1 2.75Å; N19-E21 PolarHBondContact O-N 3.01Å; E21-K23 PolarHBondContact O-N 2.84Å; E21-W315 CarbonylContact O-C 3.49Å; E21-W315 VanDerWaalsContact O-CA 3.23Å; E21-W315 WeakPolarHBondContact O-CA 3.12Å; E21-A316 PolarHBondContact N-O 3.03Å; E21-A316 PolarHBondContact O-N 2.74Å; E21-V318 HydrophobicContact CB-CG1 3.98Å; E21-V318 HydrophobicContact CG-CG1 4.17Å; E21-V318 HydrophobicContact CG-CG2 4.21Å
22	L	96.6	Very high	84.8	Confident	85 Å²	85	74.1 Å²	74.1	45%	0.445	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	114.6	-179.7	-177.2	67.8	0	0	0	110.5	F24 K313 W315	L22-F24 VanDerWaalsContact CD1-O 3.28Å; L22-F24 WeakPolarHBondContact CD1-O 3.47Å; L22-K313 HydrophobicContact CD1-CB 3.63Å; L22-K313 HydrophobicContact CD1-CD 4.12Å; L22-K313 HydrophobicContact CD1-CG 3.8Å; L22-W315 HydrophobicContact CB-CE3 4.15Å; L22-W315 HydrophobicContact CB-CZ3 4.07Å; L22-W315 HydrophobicContact CD1-CD2 4.5Å; L22-W315 HydrophobicContact CD1-CE3 4.33Å; L22-W315 HydrophobicContact CD1-CH2 4.46Å; L22-W315 HydrophobicContact CD1-CZ3 4.31Å
23	K	94.4	Very high	87.9	Confident	104 Å²	104	70.6 Å²	70.6	45%	0.452	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-47.9	175.8	-173.4	-175.7	179.1	-167.7	0	112	E21 L300 V314 A316	E21-K23 PolarHBondContact O-N 2.84Å; K23-L300 HydrophobicContact CD-CD2 4.34Å; K23-V314 WeakPolarHBondContact CA-O 3.39Å; K23-V314 WeakPolarHBondContact CB-O 3.36Å; K23-V314 PolarHBondContact N-O 3.4Å; K23-A316 HydrophobicContact CB-CB 4Å; K23-A316 HydrophobicContact CD-CB 4.12Å
24	F	90.9	Very high	90.5	Very high	40 Å²	40	66.1 Å²	66.1	18%	0.175	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.1	-179	-58.5	-69.3	0	0	0	112	L22 L26 M59 K313 V314	L22-F24 VanDerWaalsContact CD1-O 3.28Å; L22-F24 WeakPolarHBondContact CD1-O 3.47Å; F24-L26 HydrophobicContact CB-CD2 3.76Å; F24-L26 HydrophobicContact CB-CG 4.43Å; F24-L26 HydrophobicContact CG-CD2 4.38Å; F24-M59 WeakPolarHBondContact CE2-O 3.38Å; F24-K313 WeakPolarHBondContact O-CA 3.44Å; F24-V314 HydrophobicContact CB-CB 4.09Å; F24-V314 HydrophobicContact CB-CG2 4.31Å; F24-V314 HydrophobicContact CD2-CB 4.09Å; F24-V314 HydrophobicContact CD2-CG1 4.29Å; F24-V314 HydrophobicContact CD2-CG2 4.45Å; F24-V314 PolarHBondContact N-O 3.11Å; F24-V314 VanDerWaalsContact N-O 3.16Å; F24-V314 PolarHBondContact O-N 3.26Å
25	S	96.1	Very high	93	Very high	54 Å²	54	60.9 Å²	60.9	38%	0.378	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	110.9	161.7	-168.1	0	0	0	0	107.3	I312	S25-I312 CarbonylContact C-O 3.55Å; S25-I312 WeakPolarHBondContact CA-O 3.47Å
26	L	97	Very high	94.8	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.037	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.3	-176.6	-41.1	175.5	0	0	0	109.2	F24 L45 W57 M59 G62 I312 V314	F24-L26 HydrophobicContact CB-CD2 3.76Å; F24-L26 HydrophobicContact CB-CG 4.43Å; F24-L26 HydrophobicContact CG-CD2 4.38Å; L26-L45 HydrophobicContact CD1-CD2 3.97Å; L26-W57 HydrophobicContact CB-CD2 4.17Å; L26-W57 HydrophobicContact CB-CE3 3.79Å; L26-W57 HydrophobicContact CB-CH2 4.06Å; L26-W57 HydrophobicContact CB-CZ2 4.42Å; L26-W57 HydrophobicContact CB-CZ3 3.72Å; L26-W57 HydrophobicContact CD1-CB 4.04Å; L26-W57 HydrophobicContact CD1-CD2 3.85Å; L26-W57 HydrophobicContact CD1-CE3 4.09Å; L26-W57 HydrophobicContact CD1-CG 3.82Å; L26-W57 HydrophobicContact CD2-CE3 4.49Å; L26-W57 HydrophobicContact CG-CE3 4.35Å; L26-M59 HydrophobicContact CD1-CE 4.3Å; L26-G62 WeakPolarHBondContact CD2-O 3.41Å; L26-I312 HydrophobicContact CB-CB 4.09Å; L26-I312 HydrophobicContact CD1-CB 4.28Å; L26-I312 HydrophobicContact CD1-CG2 4.15Å; L26-I312 HydrophobicContact CG-CB 4.39Å; L26-I312 PolarHBondContact N-O 3.21Å; L26-I312 PolarHBondContact O-N 3.06Å; L26-V314 HydrophobicContact CD1-CG2 4.11Å; L26-V314 HydrophobicContact CG-CG2 4.47Å
27	E	95.9	Very high	95.9	Very high	143 Å²	143	45.9 Å²	45.9	67%	0.668	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	146.1	-177.4	-61.1	-173.1	177.2	0	0	110.6	W57 T311	E27-W57 WeakPolarHBondContact O-CH2 3.23Å; E27-W57 WeakPolarHBondContact O-CZ3 3.33Å; E27-T311 HydrophobicContact CG-CG2 4Å
28	G	94.6	Very high	96.5	Very high	37 Å²	37	43.1 Å²	43.1	38%	0.381	23%	0.23	S	C	.	.			trans	149	-11.9	171.2	0	0	0	0	0	116.3	K55	G28-K55 VanDerWaalsContact C-CE 3.47Å; G28-K55 WeakPolarHBondContact O-CE 3.46Å
29	H	97.1	Very high	96.7	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.056	23%	0.227	C	C	.	.			trans	-73.4	145.4	165	-81.7	-64.7	0	0	0	109.9	I33 S47 S49 D51 R53	H29-I33 HydrophobicContact CB-CG1 4.37Å; H29-S47 PolarHBondContact CD2-OG 3.23Å; H29-S47 PolarHBondContact NE2-OG 3.05Å; H29-S49 VanDerWaalsContact CE1-CB 3.43Å; H29-S49 WeakPolarHBondContact CE1-CB 3.09Å; H29-S49 WeakPolarHBondContact ND1-CB 3.25Å; H29-D51 WeakPolarHBondContact CA-OD2 3.39Å; H29-D51 IonicContact CE1-OD1 3.38Å; H29-D51 IonicContact CE1-OD2 3.74Å; H29-D51 IonicContact CG-OD2 3.98Å; H29-D51 IonicContact ND1-OD1 3.85Å; H29-D51 PolarHBondContact ND1-OD1 2.96Å; H29-D51 IonicContact ND1-OD2 2.81Å; H29-D51 PolarHBondContact ND1-OD2 2.91Å; H29-R53 PolarHBondContact CE1-O 2.87Å
30	T	96.3	Very high	96.9	Very high	92 Å²	92	42.6 Å²	42.6	56%	0.564	23%	0.23	S	C	*	.	S	Bend	trans	-101.4	0.7	-178.8	60.9	0	0	0	0	113.1	D51	T30-D51 PolarHBondContact N-OD2 3.39Å; T30-D51 WeakPolarHBondContact OG1-CB 3.39Å
31	K	97.1	Very high	96.9	Very high	91 Å²	91	45.3 Å²	45.3	40%	0.396	25%	0.245	S	C	.	.	S	Bend	trans	-145.8	174.6	174.8	-64.1	-168.5	171.5	-173	0	109.6	S49 A50 D51	K31-S49 PolarHBondContact O-OG 3.16Å; K31-A50 HydrophobicContact CB-CB 3.92Å; K31-A50 HydrophobicContact CD-CB 4.2Å; K31-D51 HydrophobicContact CB-CB 4.02Å; K31-D51 HydrophobicContact CG-CB 4.11Å
32	G	96.3	Very high	96.9	Very high	11 Å²	11	41.1 Å²	41.1	11%	0.113	23%	0.229	C	C	.	.			trans	-51	142.8	-179.3	0	0	0	0	0	114.2	S49 A50 P306 E307	G32-S49 VanDerWaalsContact O-CA 3.28Å; G32-S49 WeakPolarHBondContact O-CA 3.5Å; G32-S49 WeakPolarHBondContact O-CB 3.29Å; G32-S49 PolarHBondContact O-OG 2.92Å; G32-A50 PolarHBondContact O-N 3.17Å; G32-P306 VanDerWaalsContact CA-C 3.46Å; G32-E307 VanDerWaalsContact CA-N 3.3Å
33	I	98.2	Very high	97	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.4	177.2	-62.6	141.7	0	0	0	107.7	H29 V36 A48 G305 T311 I312	H29-I33 HydrophobicContact CB-CG1 4.37Å; I33-V36 HydrophobicContact CG2-CG1 3.66Å; I33-A48 WeakPolarHBondContact CA-O 3.41Å; I33-G305 PolarHBondContact N-O 2.68Å; I33-T311 WeakPolarHBondContact CD1-O 3.29Å; I33-I312 HydrophobicContact CD1-CD1 4.42Å; I33-I312 HydrophobicContact CD1-CG1 3.5Å; I33-I312 VanDerWaalsContact CD1-CG1 3.5Å; I33-I312 HydrophobicContact CG1-CG1 4.16Å; I33-I312 HydrophobicContact CG2-CG1 4.31Å
34	S	97.9	Very high	97.2	Very high	24 Å²	24	36.9 Å²	36.9	17%	0.168	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-33.3	-177.7	50.4	0	0	0	0	112.8	A48 L75 N76 S291	S34-A48 PolarHBondContact N-O 3.32Å; S34-A48 PolarHBondContact OG-O 2.83Å; S34-L75 WeakPolarHBondContact CB-O 3.22Å; S34-L75 PolarHBondContact OG-O 2.87Å; S34-N76 WeakPolarHBondContact CB-O 3.48Å; S34-S291 WeakPolarHBondContact O-CB 3.49Å
35	S	98.5	Very high	97.5	Very high	2 Å²	2	35 Å²	35	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	141.3	-179.2	-175	0	0	0	0	112.3	S47 A48 D77 S291	S35-S47 CarbonylContact O-C 3.6Å; S35-S47 VanDerWaalsContact O-CA 3.26Å; S35-S47 WeakPolarHBondContact O-CA 3.28Å; S35-A48 PolarHBondContact N-O 2.88Å; S35-A48 PolarHBondContact O-N 3.44Å; S35-D77 WeakPolarHBondContact CB-OD1 3.46Å; S35-D77 PolarHBondContact OG-OD1 3.41Å; S35-S291 VanDerWaalsContact CA-OG 3.31Å; S35-S291 WeakPolarHBondContact CA-OG 3.45Å
36	V	98.6	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.4	169.7	-63.7	0	0	0	0	109.6	I33 L45 A46 S291 H293 A302 I312	I33-V36 HydrophobicContact CG2-CG1 3.66Å; V36-L45 HydrophobicContact CB-CD1 4.38Å; V36-A46 CarbonylContact C-O 3.51Å; V36-A46 VanDerWaalsContact CA-O 3.29Å; V36-A46 WeakPolarHBondContact CA-O 3.44Å; V36-S291 PolarHBondContact N-OG 3.49Å; V36-H293 VanDerWaalsContact O-CB 3.31Å; V36-H293 WeakPolarHBondContact O-CB 3.38Å; V36-A302 HydrophobicContact CG2-CB 4.12Å; V36-I312 HydrophobicContact CG1-CD1 4.07Å; V36-I312 HydrophobicContact CG1-CG1 4.07Å; V36-I312 HydrophobicContact CG1-CG2 4.08Å
37	K	98.7	Very high	97.7	Very high	21 Å²	21	32 Å²	32	9%	0.091	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	132.8	177.7	-57.2	-67.7	169.2	63.6	0	111.2	A46 D77 V78 W80 H293	K37-A46 PolarHBondContact N-O 2.84Å; K37-A46 PolarHBondContact O-N 3.13Å; K37-D77 IonicContact NZ-OD1 2.91Å; K37-D77 PolarHBondContact NZ-OD1 2.75Å; K37-D77 IonicContact NZ-OD2 3.06Å; K37-V78 HydrophobicContact CG-CG1 4.13Å; K37-V78 WeakPolarHBondContact CG-O 3.22Å; K37-V78 PolarHBondContact NZ-O 2.83Å; K37-W80 PolarHBondContact O-NE1 3.05Å; K37-H293 HydrophobicContact CD-CB 4.3Å; K37-H293 WeakPolarHBondContact CD-CD2 3.44Å
38	F	98.7	Very high	97.9	Very high	5 Å²	5	25.2 Å²	25.2	2%	0.022	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	144.5	171.5	-75.3	-82.2	0	0	0	110.4	Y44 L45 M59 W80 H293 L300 A302 V314	F38-Y44 WeakPolarHBondContact CA-O 3.35Å; F38-L45 HydrophobicContact CD1-CD1 3.94Å; F38-L45 HydrophobicContact CD2-CD1 4.01Å; F38-L45 HydrophobicContact CE1-CD1 4.11Å; F38-L45 HydrophobicContact CE2-CD1 4.17Å; F38-L45 HydrophobicContact CG-CD1 3.9Å; F38-L45 HydrophobicContact CZ-CD1 4.22Å; F38-M59 HydrophobicContact CD1-CG 4.11Å; F38-M59 HydrophobicContact CD1-SD 4.13Å; F38-M59 HydrophobicContact CE1-CG 3.92Å; F38-M59 HydrophobicContact CE1-SD 3.5Å; F38-M59 VanDerWaalsContact CE1-SD 3.5Å; F38-M59 HydrophobicContact CZ-SD 4.43Å; F38-W80 VanDerWaalsContact C-CD1 3.48Å; F38-H293 HydrophobicContact CD2-CB 4.3Å; F38-H293 AromaticContact CD2-ND1 3.68Å; F38-H293 VanDerWaalsContact CE2-O 3.31Å; F38-H293 WeakPolarHBondContact CE2-O 3.23Å; F38-H293 PolarHBondContact N-ND1 3.19Å; F38-L300 HydrophobicContact CE1-CB 4.43Å; F38-L300 HydrophobicContact CE1-CD1 4.3Å; F38-L300 HydrophobicContact CE2-CB 4.46Å; F38-L300 HydrophobicContact CZ-CB 3.84Å; F38-L300 HydrophobicContact CZ-CD1 4.47Å; F38-A302 HydrophobicContact CD2-CB 4.35Å; F38-A302 HydrophobicContact CE2-CB 3.54Å; F38-A302 HydrophobicContact CZ-CB 3.76Å; F38-V314 HydrophobicContact CZ-CG1 4.41Å
39	S	98.7	Very high	98.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.			trans	-66.1	149.6	167.7	56.9	0	0	0	0	110.3	D41 G42 V43 Y44 P296	S39-D41 VanDerWaalsContact CB-OD1 3.29Å; S39-D41 WeakPolarHBondContact CB-OD1 3.19Å; S39-D41 PolarHBondContact O-N 2.86Å; S39-D41 PolarHBondContact OG-OD1 3.37Å; S39-G42 WeakPolarHBondContact O-CA 3.4Å; S39-G42 PolarHBondContact O-N 2.83Å; S39-V43 PolarHBondContact OG-N 2.79Å; S39-Y44 PolarHBondContact N-O 3.19Å; S39-Y44 WeakPolarHBondContact OG-CA 3.5Å; S39-Y44 PolarHBondContact OG-N 2.83Å; S39-Y44 PolarHBondContact OG-O 3.08Å; S39-P296 WeakPolarHBondContact O-CG 3.22Å
40	P	98.2	Very high	98.1	Very high	53 Å²	53	25 Å²	25	34%	0.344	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32	177.5	-31.2	36.6	0	0	0	115.3	G42 W80 A81 S84 P296	P40-G42 VanDerWaalsContact C-N 3.26Å; P40-W80 HydrophobicContact CG-CB 4.34Å; P40-A81 WeakPolarHBondContact CG-O 3.31Å; P40-S84 VanDerWaalsContact CD-OG 3.3Å; P40-S84 WeakPolarHBondContact CD-OG 3.39Å; P40-P296 WeakPolarHBondContact O-CG 3.48Å
41	D	98	Very high	98.2	Very high	70 Å²	70	21.2 Å²	21.2	37%	0.374	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.8	173.5	64.4	9.2	0	0	0	113.6	S39 V43 S84	S39-D41 VanDerWaalsContact CB-OD1 3.29Å; S39-D41 WeakPolarHBondContact CB-OD1 3.19Å; S39-D41 PolarHBondContact O-N 2.86Å; S39-D41 PolarHBondContact OG-OD1 3.37Å; D41-V43 HydrophobicContact CB-CG2 4.25Å; D41-V43 PolarHBondContact O-N 3.3Å; D41-V43 WeakPolarHBondContact OD1-CB 3.49Å; D41-V43 PolarHBondContact OD1-N 2.82Å; D41-S84 VanDerWaalsContact CG-CB 3.48Å; D41-S84 PolarHBondContact N-OG 2.97Å; D41-S84 PolarHBondContact OD1-OG 3.18Å; D41-S84 VanDerWaalsContact OD2-CB 3.25Å; D41-S84 WeakPolarHBondContact OD2-CB 3.44Å; D41-S84 PolarHBondContact OD2-OG 2.79Å
42	G	97.3	Very high	98.2	Very high	12 Å²	12	19 Å²	19	12%	0.124	12%	0.118	C	C	.	.	S	Bend	trans	73.7	3.7	-178.4	0	0	0	0	0	115.5	S39 P40 T297	S39-G42 WeakPolarHBondContact O-CA 3.4Å; S39-G42 PolarHBondContact O-N 2.83Å; P40-G42 VanDerWaalsContact C-N 3.26Å; G42-T297 WeakPolarHBondContact CA-OG1 3.22Å
43	V	98	Very high	98.3	Very high	54 Å²	54	23.1 Å²	23.1	33%	0.327	13%	0.13	S	C	.	.	S	Bend	trans	-76.4	-30.8	-178	179.3	0	0	0	0	111.4	S39 D41 M59	S39-V43 PolarHBondContact OG-N 2.79Å; D41-V43 HydrophobicContact CB-CG2 4.25Å; D41-V43 PolarHBondContact O-N 3.3Å; D41-V43 WeakPolarHBondContact OD1-CB 3.49Å; D41-V43 PolarHBondContact OD1-N 2.82Å; V43-M59 WeakPolarHBondContact O-CB 3.43Å; V43-M59 PolarHBondContact O-N 2.84Å
44	Y	98.5	Very high	98.4	Very high	45 Å²	45	23.2 Å²	23.2	18%	0.176	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	157.1	-174.6	-56.2	-68.4	0	0	0	113.1	F38 S39 V56 W57 Y65 W80 I101	F38-Y44 WeakPolarHBondContact CA-O 3.35Å; S39-Y44 PolarHBondContact N-O 3.19Å; S39-Y44 WeakPolarHBondContact OG-CA 3.5Å; S39-Y44 PolarHBondContact OG-N 2.83Å; S39-Y44 PolarHBondContact OG-O 3.08Å; Y44-V56 HydrophobicContact CD1-CG1 3.91Å; Y44-V56 HydrophobicContact CG-CG1 3.94Å; Y44-W57 CarbonylContact C-O 3.57Å; Y44-W57 VanDerWaalsContact CA-O 3.22Å; Y44-W57 WeakPolarHBondContact CA-O 3.4Å; Y44-Y65 HydrophobicContact CD1-CD1 4.33Å; Y44-Y65 AromaticContact CE1-CD1 3.8Å; Y44-Y65 HydrophobicContact CE1-CD1 3.8Å; Y44-Y65 HydrophobicContact CE1-CD2 4.41Å; Y44-Y65 HydrophobicContact CE1-CE1 4.28Å; Y44-Y65 AromaticContact CE1-CG 3.89Å; Y44-Y65 HydrophobicContact CE1-CG 3.89Å; Y44-W80 HydrophobicContact CD2-CH2 4.43Å; Y44-W80 HydrophobicContact CG-CH2 4.43Å; Y44-I101 HydrophobicContact CD2-CD1 4.27Å; Y44-I101 HydrophobicContact CE2-CD1 4.2Å
45	L	98.7	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.7	161.8	-175.4	75.9	0	0	0	108	L26 V36 F38 V56 W57 M59 A302 I312 V314	L26-L45 HydrophobicContact CD1-CD2 3.97Å; V36-L45 HydrophobicContact CB-CD1 4.38Å; F38-L45 HydrophobicContact CD1-CD1 3.94Å; F38-L45 HydrophobicContact CD2-CD1 4.01Å; F38-L45 HydrophobicContact CE1-CD1 4.11Å; F38-L45 HydrophobicContact CE2-CD1 4.17Å; F38-L45 HydrophobicContact CG-CD1 3.9Å; F38-L45 HydrophobicContact CZ-CD1 4.22Å; L45-V56 CarbonylContact O-C 3.59Å; L45-V56 VanDerWaalsContact O-CA 3.31Å; L45-V56 WeakPolarHBondContact O-CA 3.23Å; L45-W57 HydrophobicContact CB-CB 4.34Å; L45-W57 PolarHBondContact N-O 3.47Å; L45-W57 VanDerWaalsContact O-CD1 3.25Å; L45-W57 PolarHBondContact O-N 2.89Å; L45-M59 HydrophobicContact CB-CE 3.3Å; L45-M59 HydrophobicContact CB-CG 4.42Å; L45-M59 HydrophobicContact CB-SD 3.64Å; L45-M59 HydrophobicContact CD2-CE 4.29Å; L45-M59 HydrophobicContact CG-CE 4.42Å; L45-A302 HydrophobicContact CD1-CB 3.54Å; L45-A302 HydrophobicContact CD2-CB 3.84Å; L45-A302 HydrophobicContact CG-CB 4.38Å; L45-I312 HydrophobicContact CD2-CG2 3.77Å; L45-V314 HydrophobicContact CD2-CG2 4.48Å
46	A	98.8	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142.1	167.4	0	0	0	0	0	109.6	V36 K37 V54 K55 V78 W80 L87	V36-A46 CarbonylContact C-O 3.51Å; V36-A46 VanDerWaalsContact CA-O 3.29Å; V36-A46 WeakPolarHBondContact CA-O 3.44Å; K37-A46 PolarHBondContact N-O 2.84Å; K37-A46 PolarHBondContact O-N 3.13Å; A46-V54 HydrophobicContact CB-CG1 4.39Å; A46-K55 CarbonylContact C-O 3.49Å; A46-K55 WeakPolarHBondContact CA-O 3.43Å; A46-V78 HydrophobicContact CB-CG1 4.28Å; A46-V78 HydrophobicContact CB-CG2 3.98Å; A46-W80 HydrophobicContact CB-CZ2 3.63Å; A46-L87 HydrophobicContact CB-CD1 3.9Å; A46-L87 HydrophobicContact CB-CD2 3.92Å
47	S	98.7	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.7	171.5	60.8	0	0	0	0	111.9	H29 S35 V54 K55 W57 I312	H29-S47 PolarHBondContact CD2-OG 3.23Å; H29-S47 PolarHBondContact NE2-OG 3.05Å; S35-S47 CarbonylContact O-C 3.6Å; S35-S47 VanDerWaalsContact O-CA 3.26Å; S35-S47 WeakPolarHBondContact O-CA 3.28Å; S47-V54 CarbonylContact O-C 3.52Å; S47-V54 WeakPolarHBondContact O-CA 3.47Å; S47-V54 WeakPolarHBondContact O-CG1 3.46Å; S47-K55 PolarHBondContact N-O 3.31Å; S47-K55 PolarHBondContact O-N 3.24Å; S47-W57 PolarHBondContact OG-NE1 2.68Å; S47-I312 WeakPolarHBondContact OG-CD1 3.17Å
48	A	98.6	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	144.1	172.6	0	0	0	0	0	110.2	I33 S34 S35 L75 V78	I33-A48 WeakPolarHBondContact CA-O 3.41Å; S34-A48 PolarHBondContact N-O 3.32Å; S34-A48 PolarHBondContact OG-O 2.83Å; S35-A48 PolarHBondContact N-O 2.88Å; S35-A48 PolarHBondContact O-N 3.44Å; A48-L75 HydrophobicContact CB-CB 3.76Å; A48-L75 HydrophobicContact CB-CD1 3.99Å; A48-V78 HydrophobicContact CB-CB 4.03Å; A48-V78 HydrophobicContact CB-CG1 4.1Å
49	S	98.5	Very high	98.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.8	-177.1	172.9	0	0	0	0	112.8	H29 K31 G32 D51 T52 R53 L75	H29-S49 VanDerWaalsContact CE1-CB 3.43Å; H29-S49 WeakPolarHBondContact CE1-CB 3.09Å; H29-S49 WeakPolarHBondContact ND1-CB 3.25Å; K31-S49 PolarHBondContact O-OG 3.16Å; G32-S49 VanDerWaalsContact O-CA 3.28Å; G32-S49 WeakPolarHBondContact O-CA 3.5Å; G32-S49 WeakPolarHBondContact O-CB 3.29Å; G32-S49 PolarHBondContact O-OG 2.92Å; S49-D51 VanDerWaalsContact CB-OD1 3.29Å; S49-D51 WeakPolarHBondContact CB-OD1 3.49Å; S49-D51 PolarHBondContact O-N 2.53Å; S49-D51 VanDerWaalsContact O-N 3.14Å; S49-D51 VanDerWaalsContact OG-CG 3.28Å; S49-D51 PolarHBondContact OG-N 3.44Å; S49-D51 VanDerWaalsContact OG-N 3.1Å; S49-D51 PolarHBondContact OG-OD1 3.15Å; S49-T52 PolarHBondContact O-N 3.37Å; S49-R53 PolarHBondContact N-O 3.05Å; S49-L75 PolarHBondContact O-N 2.96Å; S49-L75 VanDerWaalsContact O-N 3.14Å
50	A	98.1	Very high	98	Very high	44 Å²	44	29.5 Å²	29.5	36%	0.364	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-11	168.3	0	0	0	0	0	113.2	K31 G32 T52	K31-A50 HydrophobicContact CB-CB 3.92Å; K31-A50 HydrophobicContact CD-CB 4.2Å; G32-A50 PolarHBondContact O-N 3.17Å; A50-T52 PolarHBondContact O-N 2.92Å
51	D	97.9	Very high	97.9	Very high	13 Å²	13	31.8 Å²	31.8	7%	0.07	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	6.1	172.6	75	7.6	0	0	0	114.3	H29 T30 K31 S49 R53	H29-D51 WeakPolarHBondContact CA-OD2 3.39Å; H29-D51 IonicContact CE1-OD1 3.38Å; H29-D51 IonicContact CE1-OD2 3.74Å; H29-D51 IonicContact CG-OD2 3.98Å; H29-D51 IonicContact ND1-OD1 3.85Å; H29-D51 PolarHBondContact ND1-OD1 2.96Å; H29-D51 IonicContact ND1-OD2 2.81Å; H29-D51 PolarHBondContact ND1-OD2 2.91Å; T30-D51 PolarHBondContact N-OD2 3.39Å; T30-D51 WeakPolarHBondContact OG1-CB 3.39Å; K31-D51 HydrophobicContact CB-CB 4.02Å; K31-D51 HydrophobicContact CG-CB 4.11Å; S49-D51 VanDerWaalsContact CB-OD1 3.29Å; S49-D51 WeakPolarHBondContact CB-OD1 3.49Å; S49-D51 PolarHBondContact O-N 2.53Å; S49-D51 VanDerWaalsContact O-N 3.14Å; S49-D51 VanDerWaalsContact OG-CG 3.28Å; S49-D51 PolarHBondContact OG-N 3.44Å; S49-D51 VanDerWaalsContact OG-N 3.1Å; S49-D51 PolarHBondContact OG-OD1 3.15Å; D51-R53 VanDerWaalsContact C-N 3.26Å; D51-R53 PolarHBondContact O-N 3.42Å; D51-R53 WeakPolarHBondContact OD1-CA 3.22Å; D51-R53 WeakPolarHBondContact OD1-CB 3.5Å; D51-R53 WeakPolarHBondContact OD1-CG 3.39Å; D51-R53 PolarHBondContact OD1-N 2.77Å
52	T	98.4	Very high	97.7	Very high	45 Å²	45	29 Å²	29	28%	0.276	16%	0.161	S	C	.	.	S	Bend	trans	73.1	5.2	-179.8	76.8	0	0	0	0	115.3	S49 A50 F73	S49-T52 PolarHBondContact O-N 3.37Å; A50-T52 PolarHBondContact O-N 2.92Å; T52-F73 WeakPolarHBondContact CG2-O 3.31Å
53	R	98.3	Very high	97.7	Very high	97 Å²	97	31 Å²	31	37%	0.366	17%	0.172	S	C	.	.			trans	-105.8	146.1	-175.9	-51.6	178.3	171.7	174.7	-3.7	111	H29 S49 D51 T67 L69 L75	H29-R53 PolarHBondContact CE1-O 2.87Å; S49-R53 PolarHBondContact N-O 3.05Å; D51-R53 VanDerWaalsContact C-N 3.26Å; D51-R53 PolarHBondContact O-N 3.42Å; D51-R53 WeakPolarHBondContact OD1-CA 3.22Å; D51-R53 WeakPolarHBondContact OD1-CB 3.5Å; D51-R53 WeakPolarHBondContact OD1-CG 3.39Å; D51-R53 PolarHBondContact OD1-N 2.77Å; R53-T67 HydrophobicContact CB-CG2 4.06Å; R53-T67 HydrophobicContact CG-CG2 4.33Å; R53-L69 HydrophobicContact CB-CD2 4.45Å; R53-L69 HydrophobicContact CG-CD2 3.77Å; R53-L75 WeakPolarHBondContact O-CD1 3.3Å
54	V	98.6	Very high	97.7	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131	156.9	-176.2	0	0	0	0	108.5	A46 S47 T67 L68 L75 V78 L87 T89	A46-V54 HydrophobicContact CB-CG1 4.39Å; S47-V54 CarbonylContact O-C 3.52Å; S47-V54 WeakPolarHBondContact O-CA 3.47Å; S47-V54 WeakPolarHBondContact O-CG1 3.46Å; V54-T67 CarbonylContact O-C 3.54Å; V54-T67 WeakPolarHBondContact O-CA 3.48Å; V54-L68 HydrophobicContact CB-CB 4.09Å; V54-L68 HydrophobicContact CB-CD1 4.19Å; V54-L68 HydrophobicContact CB-CG 4.36Å; V54-L68 HydrophobicContact CG1-CD1 4.23Å; V54-L68 PolarHBondContact N-O 2.82Å; V54-L68 VanDerWaalsContact N-O 3.17Å; V54-L68 PolarHBondContact O-N 2.78Å; V54-L75 HydrophobicContact CG2-CD1 3.43Å; V54-L75 VanDerWaalsContact CG2-CD1 3.43Å; V54-V78 HydrophobicContact CG1-CG2 4.37Å; V54-L87 HydrophobicContact CG1-CD1 3.99Å; V54-T89 HydrophobicContact CG2-CG2 3.36Å
55	K	98.5	Very high	97.6	Very high	18 Å²	18	32.6 Å²	32.6	8%	0.078	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139	167.8	-71.9	179.3	175.3	-68.9	0	109.8	G28 A46 S47 W57 R66 T67	G28-K55 VanDerWaalsContact C-CE 3.47Å; G28-K55 WeakPolarHBondContact O-CE 3.46Å; A46-K55 CarbonylContact C-O 3.49Å; A46-K55 WeakPolarHBondContact CA-O 3.43Å; S47-K55 PolarHBondContact N-O 3.31Å; S47-K55 PolarHBondContact O-N 3.24Å; K55-W57 HydrophobicContact CB-CD2 4.48Å; K55-W57 HydrophobicContact CB-CZ2 3.72Å; K55-W57 HydrophobicContact CD-CH2 3.72Å; K55-W57 HydrophobicContact CD-CZ2 3.46Å; K55-W57 VanDerWaalsContact CD-CZ2 3.46Å; K55-W57 HydrophobicContact CG-CZ2 4.24Å; K55-R66 WeakPolarHBondContact CA-O 3.34Å; K55-T67 HydrophobicContact CG-CG2 4.44Å; K55-T67 PolarHBondContact NZ-OG1 3.24Å
56	V	98.6	Very high	97.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.2	170.7	-176.2	0	0	0	0	107.1	Y44 L45 Y65 R66 L68 W80 L87 I101	Y44-V56 HydrophobicContact CD1-CG1 3.91Å; Y44-V56 HydrophobicContact CG-CG1 3.94Å; L45-V56 CarbonylContact O-C 3.59Å; L45-V56 VanDerWaalsContact O-CA 3.31Å; L45-V56 WeakPolarHBondContact O-CA 3.23Å; V56-Y65 HydrophobicContact CG1-CD1 4.12Å; V56-Y65 PolarHBondContact O-N 3.29Å; V56-R66 HydrophobicContact CB-CB 4.31Å; V56-R66 PolarHBondContact N-O 2.86Å; V56-R66 PolarHBondContact O-N 3.42Å; V56-L68 HydrophobicContact CG2-CD1 4.5Å; V56-W80 HydrophobicContact CG1-CH2 3.92Å; V56-W80 HydrophobicContact CG1-CZ2 4.19Å; V56-W80 HydrophobicContact CG2-CH2 4.48Å; V56-L87 HydrophobicContact CG2-CD1 3.86Å; V56-I101 HydrophobicContact CG2-CG2 4.24Å
57	W	98.4	Very high	97.5	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.5	-174.6	-45.3	84.6	0	0	0	109.6	L26 E27 Y44 L45 S47 K55 M59 S63 V64 I312	L26-W57 HydrophobicContact CB-CD2 4.17Å; L26-W57 HydrophobicContact CB-CE3 3.79Å; L26-W57 HydrophobicContact CB-CH2 4.06Å; L26-W57 HydrophobicContact CB-CZ2 4.42Å; L26-W57 HydrophobicContact CB-CZ3 3.72Å; L26-W57 HydrophobicContact CD1-CB 4.04Å; L26-W57 HydrophobicContact CD1-CD2 3.85Å; L26-W57 HydrophobicContact CD1-CE3 4.09Å; L26-W57 HydrophobicContact CD1-CG 3.82Å; L26-W57 HydrophobicContact CD2-CE3 4.49Å; L26-W57 HydrophobicContact CG-CE3 4.35Å; E27-W57 WeakPolarHBondContact O-CH2 3.23Å; E27-W57 WeakPolarHBondContact O-CZ3 3.33Å; Y44-W57 CarbonylContact C-O 3.57Å; Y44-W57 VanDerWaalsContact CA-O 3.22Å; Y44-W57 WeakPolarHBondContact CA-O 3.4Å; L45-W57 HydrophobicContact CB-CB 4.34Å; L45-W57 PolarHBondContact N-O 3.47Å; L45-W57 VanDerWaalsContact O-CD1 3.25Å; L45-W57 PolarHBondContact O-N 2.89Å; S47-W57 PolarHBondContact OG-NE1 2.68Å; K55-W57 HydrophobicContact CB-CD2 4.48Å; K55-W57 HydrophobicContact CB-CZ2 3.72Å; K55-W57 HydrophobicContact CD-CH2 3.72Å; K55-W57 HydrophobicContact CD-CZ2 3.46Å; K55-W57 VanDerWaalsContact CD-CZ2 3.46Å; K55-W57 HydrophobicContact CG-CZ2 4.24Å; W57-M59 HydrophobicContact CB-CE 3.58Å; W57-M59 WeakPolarHBondContact O-CE 3.02Å; W57-S63 CarbonylContact C-O 3.49Å; W57-S63 VanDerWaalsContact CA-O 3.23Å; W57-S63 WeakPolarHBondContact CA-O 3.46Å; W57-V64 HydrophobicContact CD2-CG2 4.32Å; W57-V64 HydrophobicContact CE3-CG2 3.54Å; W57-V64 HydrophobicContact CH2-CG2 3.98Å; W57-V64 HydrophobicContact CZ3-CG2 3.34Å; W57-I312 HydrophobicContact CZ2-CD1 3.79Å
58	C	97.6	Very high	97.5	Very high	22 Å²	22	39 Å²	39	15%	0.149	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.8	172	-175.5	0	0	0	0	109.9	D60 D61 G62 S63	C58-D60 VanDerWaalsContact C-N 3.3Å; C58-D60 PolarHBondContact O-N 3.49Å; C58-D61 WeakPolarHBondContact CB-OD1 3.44Å; C58-G62 WeakPolarHBondContact O-CA 3.21Å; C58-G62 PolarHBondContact O-N 3.01Å; C58-S63 PolarHBondContact N-O 2.73Å
59	M	96.4	Very high	97.5	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.034	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.8	-177.3	-67.1	-59	94.4	0	0	114.5	F24 L26 F38 V43 L45 W57	F24-M59 WeakPolarHBondContact CE2-O 3.38Å; L26-M59 HydrophobicContact CD1-CE 4.3Å; F38-M59 HydrophobicContact CD1-CG 4.11Å; F38-M59 HydrophobicContact CD1-SD 4.13Å; F38-M59 HydrophobicContact CE1-CG 3.92Å; F38-M59 HydrophobicContact CE1-SD 3.5Å; F38-M59 VanDerWaalsContact CE1-SD 3.5Å; F38-M59 HydrophobicContact CZ-SD 4.43Å; V43-M59 WeakPolarHBondContact O-CB 3.43Å; V43-M59 PolarHBondContact O-N 2.84Å; L45-M59 HydrophobicContact CB-CE 3.3Å; L45-M59 HydrophobicContact CB-CG 4.42Å; L45-M59 HydrophobicContact CB-SD 3.64Å; L45-M59 HydrophobicContact CD2-CE 4.29Å; L45-M59 HydrophobicContact CG-CE 4.42Å; W57-M59 HydrophobicContact CB-CE 3.58Å; W57-M59 WeakPolarHBondContact O-CE 3.02Å
60	D	94.9	Very high	97.4	Very high	133 Å²	133	46.3 Å²	46.3	71%	0.711	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-42.8	174.5	-68.5	-22.9	0	0	0	111.6	C58	C58-D60 VanDerWaalsContact C-N 3.3Å; C58-D60 PolarHBondContact O-N 3.49Å
61	D	94.5	Very high	97.5	Very high	100 Å²	100	44.9 Å²	44.9	54%	0.535	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-5.7	-172.6	68.6	0.4	0	0	0	115.2	C58 S63	C58-D61 WeakPolarHBondContact CB-OD1 3.44Å; D61-S63 VanDerWaalsContact C-N 3.27Å; D61-S63 VanDerWaalsContact CG-OG 3.29Å; D61-S63 PolarHBondContact O-N 2.89Å; D61-S63 WeakPolarHBondContact OD1-CB 3.49Å; D61-S63 PolarHBondContact OD1-N 3.01Å; D61-S63 PolarHBondContact OD1-OG 3.26Å; D61-S63 PolarHBondContact OD2-OG 2.88Å
62	G	94.9	Very high	97.5	Very high	13 Å²	13	52.5 Å²	52.5	13%	0.134	28%	0.277	C	S	.	.			trans	75.1	8.9	-177.2	0	0	0	0	0	114.6	L26 C58	L26-G62 WeakPolarHBondContact CD2-O 3.41Å; C58-G62 WeakPolarHBondContact O-CA 3.21Å; C58-G62 PolarHBondContact O-N 3.01Å
63	S	96.8	Very high	97.5	Very high	52 Å²	52	56.3 Å²	56.3	36%	0.364	29%	0.29	S	S	.	.			trans	-75.1	155.3	-179.3	68.7	0	0	0	0	112.6	W57 C58 D61 Y65	W57-S63 CarbonylContact C-O 3.49Å; W57-S63 VanDerWaalsContact CA-O 3.23Å; W57-S63 WeakPolarHBondContact CA-O 3.46Å; C58-S63 PolarHBondContact N-O 2.73Å; D61-S63 VanDerWaalsContact C-N 3.27Å; D61-S63 VanDerWaalsContact CG-OG 3.29Å; D61-S63 PolarHBondContact O-N 2.89Å; D61-S63 WeakPolarHBondContact OD1-CB 3.49Å; D61-S63 PolarHBondContact OD1-N 3.01Å; D61-S63 PolarHBondContact OD1-OG 3.26Å; D61-S63 PolarHBondContact OD2-OG 2.88Å; S63-Y65 PolarHBondContact O-N 2.8Å
64	V	97.6	Very high	97.5	Very high	65 Å²	65	52.2 Å²	52.2	39%	0.394	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	110.3	173.4	179.2	0	0	0	0	109.3	W57 R66	W57-V64 HydrophobicContact CD2-CG2 4.32Å; W57-V64 HydrophobicContact CE3-CG2 3.54Å; W57-V64 HydrophobicContact CH2-CG2 3.98Å; W57-V64 HydrophobicContact CZ3-CG2 3.34Å; V64-R66 WeakPolarHBondContact CG1-O 3.45Å
65	Y	97.6	Very high	97.5	Very high	68 Å²	68	52.2 Å²	52.2	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-46.1	173.2	175.9	-119.1	0	0	0	111.8	Y44 V56 S63 I101	Y44-Y65 HydrophobicContact CD1-CD1 4.33Å; Y44-Y65 AromaticContact CE1-CD1 3.8Å; Y44-Y65 HydrophobicContact CE1-CD1 3.8Å; Y44-Y65 HydrophobicContact CE1-CD2 4.41Å; Y44-Y65 HydrophobicContact CE1-CE1 4.28Å; Y44-Y65 AromaticContact CE1-CG 3.89Å; Y44-Y65 HydrophobicContact CE1-CG 3.89Å; V56-Y65 HydrophobicContact CG1-CD1 4.12Å; V56-Y65 PolarHBondContact O-N 3.29Å; S63-Y65 PolarHBondContact O-N 2.8Å; Y65-I101 HydrophobicContact CE1-CD1 4.25Å
66	R	97.7	Very high	97.5	Very high	83 Å²	83	53 Å²	53	31%	0.313	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	154.9	-179.7	-68.6	-64.3	-173.1	-89	-2.9	112.3	K55 V56 V64 L68 I101 D102	K55-R66 WeakPolarHBondContact CA-O 3.34Å; V56-R66 HydrophobicContact CB-CB 4.31Å; V56-R66 PolarHBondContact N-O 2.86Å; V56-R66 PolarHBondContact O-N 3.42Å; V64-R66 WeakPolarHBondContact CG1-O 3.45Å; R66-L68 HydrophobicContact CB-CD2 4.4Å; R66-I101 WeakPolarHBondContact CG-O 3.44Å; R66-D102 PolarHBondContact NH2-O 3Å
67	T	98.1	Very high	97.5	Very high	49 Å²	49	53.7 Å²	53.7	30%	0.301	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.2	164.1	-63	0	0	0	0	108.2	R53 V54 K55 L69	R53-T67 HydrophobicContact CB-CG2 4.06Å; R53-T67 HydrophobicContact CG-CG2 4.33Å; V54-T67 CarbonylContact O-C 3.54Å; V54-T67 WeakPolarHBondContact O-CA 3.48Å; K55-T67 HydrophobicContact CG-CG2 4.44Å; K55-T67 PolarHBondContact NZ-OG1 3.24Å; T67-L69 HydrophobicContact CG2-CD2 4.18Å
68	L	98.4	Very high	97.5	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.5	-178.7	-46.4	174.4	0	0	0	109.5	V54 V56 R66 L87 F99 I101 A104	V54-L68 HydrophobicContact CB-CB 4.09Å; V54-L68 HydrophobicContact CB-CD1 4.19Å; V54-L68 HydrophobicContact CB-CG 4.36Å; V54-L68 HydrophobicContact CG1-CD1 4.23Å; V54-L68 PolarHBondContact N-O 2.82Å; V54-L68 VanDerWaalsContact N-O 3.17Å; V54-L68 PolarHBondContact O-N 2.78Å; V56-L68 HydrophobicContact CG2-CD1 4.5Å; R66-L68 HydrophobicContact CB-CD2 4.4Å; L68-L87 HydrophobicContact CD1-CD1 3.78Å; L68-F99 HydrophobicContact CB-CD1 4Å; L68-F99 HydrophobicContact CB-CE1 4.17Å; L68-F99 HydrophobicContact CB-CG 4.36Å; L68-F99 HydrophobicContact CD1-CB 3.72Å; L68-F99 HydrophobicContact CD1-CD1 4.31Å; L68-F99 HydrophobicContact CD1-CD2 4.43Å; L68-F99 HydrophobicContact CD1-CG 3.93Å; L68-I101 HydrophobicContact CD1-CG2 4.44Å; L68-A104 HydrophobicContact CD2-CB 3.91Å
69	L	98.1	Very high	97.6	Very high	109 Å²	109	52.8 Å²	52.8	57%	0.571	28%	0.282	S	S	*	.			trans	-125.5	150	-175.4	-58.8	175.3	0	0	0	110.1	R53 T67 F99	R53-L69 HydrophobicContact CB-CD2 4.45Å; R53-L69 HydrophobicContact CG-CD2 3.77Å; T67-L69 HydrophobicContact CG2-CD2 4.18Å; L69-F99 WeakPolarHBondContact O-CE1 3.38Å
70	G	97.3	Very high	97.7	Very high	45 Å²	45	53.5 Å²	53.5	46%	0.464	28%	0.284	S	S	.	.			trans	151.6	-14.9	168.1	0	0	0	0	0	116.3	K97	G70-K97 WeakPolarHBondContact O-CE 3.46Å
71	H	98.6	Very high	97.9	Very high	15 Å²	15	47.2 Å²	47.2	7%	0.069	25%	0.25	C	S	.	.			trans	-76.1	150.2	171.2	-82.2	-73.8	0	0	0	111.3	L75 T89 S91 D93 T95 K97	H71-L75 HydrophobicContact CB-CD2 3.76Å; H71-L75 WeakPolarHBondContact CD2-CD2 3.37Å; H71-T89 PolarHBondContact CD2-OG1 3.15Å; H71-T89 PolarHBondContact NE2-OG1 2.82Å; H71-S91 VanDerWaalsContact CE1-CB 3.42Å; H71-S91 WeakPolarHBondContact CE1-CB 3.39Å; H71-S91 WeakPolarHBondContact ND1-CB 3.36Å; H71-S91 PolarHBondContact ND1-OG 2.89Å; H71-D93 WeakPolarHBondContact CA-OD2 2.95Å; H71-D93 IonicContact CE1-OD1 2.74Å; H71-D93 IonicContact CE1-OD2 3.01Å; H71-D93 IonicContact CG-OD2 3.4Å; H71-D93 VanDerWaalsContact ND1-CG 3.31Å; H71-D93 IonicContact ND1-OD1 2.84Å; H71-D93 PolarHBondContact ND1-OD1 2.77Å; H71-D93 VanDerWaalsContact ND1-OD1 3.16Å; H71-D93 IonicContact ND1-OD2 3.01Å; H71-D93 PolarHBondContact ND1-OD2 3.01Å; H71-T95 PolarHBondContact CE1-OG1 2.99Å; H71-K97 WeakPolarHBondContact NE2-CD 3.46Å
72	K	97.9	Very high	98	Very high	172 Å²	172	45 Å²	45	75%	0.748	25%	0.246	S	C	*	.	S	Bend	trans	-88.6	-25.9	-179.8	-64.9	-177.8	-178.7	178.8	0	112.9	D93	K72-D93 HydrophobicContact CB-CB 4.11Å; K72-D93 PolarHBondContact N-OD2 3.42Å
73	F	98.5	Very high	98.2	Very high	125 Å²	125	48.5 Å²	48.5	55%	0.548	26%	0.262	S	S	.	.	S	Bend	trans	-132.2	-179.1	-178.1	-60.7	-57.3	0	0	0	110.8	T52 S91 D92 D93	T52-F73 WeakPolarHBondContact CG2-O 3.31Å; F73-S91 PolarHBondContact O-OG 3.1Å; F73-D92 HydrophobicContact CB-CB 3.74Å; F73-D93 HydrophobicContact CB-CB 4.35Å; F73-D93 HydrophobicContact CD2-CB 3.7Å; F73-D93 HydrophobicContact CG-CB 4.43Å
74	G	98	Very high	98.2	Very high	11 Å²	11	46.3 Å²	46.3	11%	0.113	25%	0.247	C	C	.	.			trans	-55.1	152.7	-176.5	0	0	0	0	0	112.9	S91 D92	G74-S91 WeakPolarHBondContact O-CA 3.3Å; G74-S91 WeakPolarHBondContact O-CB 3.42Å; G74-S91 PolarHBondContact O-OG 2.79Å; G74-D92 PolarHBondContact O-N 2.82Å
75	L	98.7	Very high	98.2	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	141.8	173.8	-54.7	-179	0	0	0	109.4	S34 A48 S49 R53 V54 H71 A90	S34-L75 WeakPolarHBondContact CB-O 3.22Å; S34-L75 PolarHBondContact OG-O 2.87Å; A48-L75 HydrophobicContact CB-CB 3.76Å; A48-L75 HydrophobicContact CB-CD1 3.99Å; S49-L75 PolarHBondContact O-N 2.96Å; S49-L75 VanDerWaalsContact O-N 3.14Å; R53-L75 WeakPolarHBondContact O-CD1 3.3Å; V54-L75 HydrophobicContact CG2-CD1 3.43Å; V54-L75 VanDerWaalsContact CG2-CD1 3.43Å; H71-L75 HydrophobicContact CB-CD2 3.76Å; H71-L75 WeakPolarHBondContact CD2-CD2 3.37Å; L75-A90 CarbonylContact C-O 3.57Å; L75-A90 WeakPolarHBondContact CA-O 3.27Å
76	N	98.6	Very high	98.3	Very high	34 Å²	34	46.8 Å²	46.8	18%	0.182	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-31.8	177	-64	-52.7	0	0	0	112.3	S34 A90 D92 V117 F118	S34-N76 WeakPolarHBondContact CB-O 3.48Å; N76-A90 PolarHBondContact N-O 2.82Å; N76-D92 PolarHBondContact ND2-OD1 2.87Å; N76-V117 PolarHBondContact ND2-O 3.02Å; N76-F118 HydrophobicContact CB-CD2 4.11Å; N76-F118 WeakPolarHBondContact CB-O 3.37Å
77	D	98.8	Very high	98.4	Very high	15 Å²	15	42.8 Å²	42.8	8%	0.08	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	160.7	-178.8	-162.7	15.9	0	0	0	112.7	S35 K37 T89 A90 F118 C120	S35-D77 WeakPolarHBondContact CB-OD1 3.46Å; S35-D77 PolarHBondContact OG-OD1 3.41Å; K37-D77 IonicContact NZ-OD1 2.91Å; K37-D77 PolarHBondContact NZ-OD1 2.75Å; K37-D77 IonicContact NZ-OD2 3.06Å; D77-T89 WeakPolarHBondContact O-CA 3.33Å; D77-A90 HydrophobicContact CB-CB 4.21Å; D77-A90 PolarHBondContact O-N 2.83Å; D77-F118 WeakPolarHBondContact CB-O 3.16Å; D77-C120 PolarHBondContact OD2-N 3.46Å
78	V	98.8	Very high	98.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.1	172.6	62.9	0	0	0	0	109.7	K37 A46 A48 V54 L87 C88 T89	K37-V78 HydrophobicContact CG-CG1 4.13Å; K37-V78 WeakPolarHBondContact CG-O 3.22Å; K37-V78 PolarHBondContact NZ-O 2.83Å; A46-V78 HydrophobicContact CB-CG1 4.28Å; A46-V78 HydrophobicContact CB-CG2 3.98Å; A48-V78 HydrophobicContact CB-CB 4.03Å; A48-V78 HydrophobicContact CB-CG1 4.1Å; V54-V78 HydrophobicContact CG1-CG2 4.37Å; V78-L87 HydrophobicContact CG2-CB 4.5Å; V78-L87 HydrophobicContact CG2-CD1 4.39Å; V78-L87 HydrophobicContact CG2-CD2 3.76Å; V78-L87 HydrophobicContact CG2-CG 4.46Å; V78-C88 CarbonylContact C-O 3.52Å; V78-C88 VanDerWaalsContact CA-O 3.3Å; V78-C88 WeakPolarHBondContact CA-O 3.48Å; V78-T89 HydrophobicContact CG2-CG2 4.24Å
79	A	98.8	Very high	98.4	Very high	7 Å²	7	40.4 Å²	40.4	6%	0.058	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.7	175.6	0	0	0	0	0	111.5	L87 C88 F122	A79-L87 CarbonylContact O-C 3.5Å; A79-L87 WeakPolarHBondContact O-CA 3.47Å; A79-L87 WeakPolarHBondContact O-CD2 3.25Å; A79-C88 PolarHBondContact N-O 3.01Å; A79-C88 PolarHBondContact O-N 3.04Å; A79-F122 HydrophobicContact CB-CD2 4.21Å
80	W	98.8	Very high	98.5	Very high	22 Å²	22	35.2 Å²	35.2	8%	0.083	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	142.2	176.1	-73.6	97.6	0	0	0	112.1	K37 F38 P40 Y44 A46 V56 S84 L87 I101 F122	K37-W80 PolarHBondContact O-NE1 3.05Å; F38-W80 VanDerWaalsContact C-CD1 3.48Å; P40-W80 HydrophobicContact CG-CB 4.34Å; Y44-W80 HydrophobicContact CD2-CH2 4.43Å; Y44-W80 HydrophobicContact CG-CH2 4.43Å; A46-W80 HydrophobicContact CB-CZ2 3.63Å; V56-W80 HydrophobicContact CG1-CH2 3.92Å; V56-W80 HydrophobicContact CG1-CZ2 4.19Å; V56-W80 HydrophobicContact CG2-CH2 4.48Å; W80-S84 WeakPolarHBondContact CZ3-O 3.06Å; W80-L87 HydrophobicContact CB-CD2 4.35Å; W80-L87 HydrophobicContact CD2-CD2 3.28Å; W80-L87 HydrophobicContact CD2-CG 4.22Å; W80-L87 HydrophobicContact CE3-CD2 3.51Å; W80-L87 HydrophobicContact CE3-CG 3.98Å; W80-L87 HydrophobicContact CG-CD2 3.65Å; W80-L87 HydrophobicContact CH2-CD1 4.3Å; W80-L87 HydrophobicContact CH2-CD2 4.25Å; W80-L87 HydrophobicContact CH2-CG 4.33Å; W80-L87 HydrophobicContact CZ2-CD1 4.42Å; W80-L87 HydrophobicContact CZ2-CD2 4.06Å; W80-L87 HydrophobicContact CZ3-CD1 4.45Å; W80-L87 HydrophobicContact CZ3-CD2 3.97Å; W80-L87 HydrophobicContact CZ3-CG 4.02Å; W80-I101 HydrophobicContact CH2-CD1 4.01Å; W80-I101 HydrophobicContact CH2-CG2 4.27Å; W80-I101 HydrophobicContact CZ3-CD1 3.91Å; W80-I101 HydrophobicContact CZ3-CG2 4.06Å; W80-F122 VanDerWaalsContact C-CD2 3.41Å; W80-F122 VanDerWaalsContact O-CD2 3.29Å; W80-F122 WeakPolarHBondContact O-CD2 3.35Å
81	A	98.6	Very high	98.5	Very high	1 Å²	1	33 Å²	33	1%	0.008	16%	0.162	C	C	.	.			trans	-72.5	154.1	158.4	0	0	0	0	0	110.3	P40 D83 S84 Y86 F122	P40-A81 WeakPolarHBondContact CG-O 3.31Å; A81-D83 WeakPolarHBondContact CB-OD1 3.23Å; A81-D83 PolarHBondContact O-N 2.86Å; A81-D83 VanDerWaalsContact O-N 3.15Å; A81-S84 PolarHBondContact O-N 3.21Å; A81-Y86 HydrophobicContact CB-CD2 4.41Å; A81-Y86 PolarHBondContact N-O 2.87Å; A81-F122 HydrophobicContact CB-CD1 4.34Å; A81-F122 HydrophobicContact CB-CD2 4.37Å; A81-F122 HydrophobicContact CB-CE1 4.16Å; A81-F122 HydrophobicContact CB-CE2 4.19Å; A81-F122 HydrophobicContact CB-CG 4.43Å; A81-F122 HydrophobicContact CB-CZ 4.09Å
82	A	98.1	Very high	98.5	Very high	53 Å²	53	34.3 Å²	34.3	44%	0.438	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.8	-176.8	0	0	0	0	0	113.9	S84 P124 S126	A82-S84 VanDerWaalsContact C-N 3.29Å; A82-P124 WeakPolarHBondContact CB-O 3.15Å; A82-S126 WeakPolarHBondContact CB-OG 3.27Å; A82-S126 PolarHBondContact N-OG 2.85Å
83	D	97.9	Very high	98.6	Very high	87 Å²	87	27.3 Å²	27.3	47%	0.465	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	3.1	177.5	67.8	-1.5	0	0	0	113.8	A81 R85 Y86	A81-D83 WeakPolarHBondContact CB-OD1 3.23Å; A81-D83 PolarHBondContact O-N 2.86Å; A81-D83 VanDerWaalsContact O-N 3.15Å; D83-R85 PolarHBondContact O-N 2.89Å; D83-R85 PolarHBondContact OD1-N 3.01Å; D83-Y86 WeakPolarHBondContact OD2-CD2 3.46Å; D83-Y86 VanDerWaalsContact OD2-CE2 3.26Å; D83-Y86 WeakPolarHBondContact OD2-CE2 3.41Å
84	S	98.2	Very high	98.6	Very high	7 Å²	7	27.9 Å²	27.9	5%	0.049	14%	0.139	C	C	.	.	S	Bend	trans	58	16.5	-178.4	-51.7	0	0	0	0	114.5	P40 D41 W80 A81 A82 I101	P40-S84 VanDerWaalsContact CD-OG 3.3Å; P40-S84 WeakPolarHBondContact CD-OG 3.39Å; D41-S84 VanDerWaalsContact CG-CB 3.48Å; D41-S84 PolarHBondContact N-OG 2.97Å; D41-S84 PolarHBondContact OD1-OG 3.18Å; D41-S84 VanDerWaalsContact OD2-CB 3.25Å; D41-S84 WeakPolarHBondContact OD2-CB 3.44Å; D41-S84 PolarHBondContact OD2-OG 2.79Å; W80-S84 WeakPolarHBondContact CZ3-O 3.06Å; A81-S84 PolarHBondContact O-N 3.21Å; A82-S84 VanDerWaalsContact C-N 3.29Å; S84-I101 WeakPolarHBondContact O-CD1 3.39Å
85	R	97.9	Very high	98.6	Very high	84 Å²	84	28.3 Å²	28.3	32%	0.317	14%	0.139	S	C	.	.	S	Bend	trans	-107.2	-32.5	-177.6	-179.4	174.5	168.1	-168.2	-7.1	113.3	D83 D100 I101 D102	D83-R85 PolarHBondContact O-N 2.89Å; D83-R85 PolarHBondContact OD1-N 3.01Å; R85-D100 IonicContact CZ-OD2 3.69Å; R85-D100 IonicContact NE-OD1 2.61Å; R85-D100 PolarHBondContact NE-OD1 3.12Å; R85-D100 IonicContact NE-OD2 2.71Å; R85-D100 PolarHBondContact NE-OD2 3.22Å; R85-D100 IonicContact NH2-OD2 3.45Å; R85-D100 PolarHBondContact NH2-OD2 3.02Å; R85-I101 WeakPolarHBondContact O-CG1 3.45Å; R85-I101 PolarHBondContact O-N 3.16Å; R85-D102 IonicContact NE-OD2 2.84Å
86	Y	98.6	Very high	98.6	Very high	58 Å²	58	28.1 Å²	28.1	23%	0.227	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.7	-178.4	-53.7	-73.8	0	0	0	112.3	A81 D83 F99 D100 L107	A81-Y86 HydrophobicContact CB-CD2 4.41Å; A81-Y86 PolarHBondContact N-O 2.87Å; D83-Y86 WeakPolarHBondContact OD2-CD2 3.46Å; D83-Y86 VanDerWaalsContact OD2-CE2 3.26Å; D83-Y86 WeakPolarHBondContact OD2-CE2 3.41Å; Y86-F99 VanDerWaalsContact CA-O 3.23Å; Y86-F99 WeakPolarHBondContact CA-O 3.14Å; Y86-D100 HydrophobicContact CD1-CB 4.08Å; Y86-D100 HydrophobicContact CE1-CB 3.94Å; Y86-L107 HydrophobicContact CD1-CD1 3.78Å; Y86-L107 HydrophobicContact CE1-CD1 3.57Å
87	L	98.8	Very high	98.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.6	173.1	-75.7	176	0	0	0	110.1	A46 V54 V56 L68 V78 A79 W80 I98 F99 I101	A46-L87 HydrophobicContact CB-CD1 3.9Å; A46-L87 HydrophobicContact CB-CD2 3.92Å; V54-L87 HydrophobicContact CG1-CD1 3.99Å; V56-L87 HydrophobicContact CG2-CD1 3.86Å; L68-L87 HydrophobicContact CD1-CD1 3.78Å; V78-L87 HydrophobicContact CG2-CB 4.5Å; V78-L87 HydrophobicContact CG2-CD1 4.39Å; V78-L87 HydrophobicContact CG2-CD2 3.76Å; V78-L87 HydrophobicContact CG2-CG 4.46Å; A79-L87 CarbonylContact O-C 3.5Å; A79-L87 WeakPolarHBondContact O-CA 3.47Å; A79-L87 WeakPolarHBondContact O-CD2 3.25Å; W80-L87 HydrophobicContact CB-CD2 4.35Å; W80-L87 HydrophobicContact CD2-CD2 3.28Å; W80-L87 HydrophobicContact CD2-CG 4.22Å; W80-L87 HydrophobicContact CE3-CD2 3.51Å; W80-L87 HydrophobicContact CE3-CG 3.98Å; W80-L87 HydrophobicContact CG-CD2 3.65Å; W80-L87 HydrophobicContact CH2-CD1 4.3Å; W80-L87 HydrophobicContact CH2-CD2 4.25Å; W80-L87 HydrophobicContact CH2-CG 4.33Å; W80-L87 HydrophobicContact CZ2-CD1 4.42Å; W80-L87 HydrophobicContact CZ2-CD2 4.06Å; W80-L87 HydrophobicContact CZ3-CD1 4.45Å; W80-L87 HydrophobicContact CZ3-CD2 3.97Å; W80-L87 HydrophobicContact CZ3-CG 4.02Å; L87-I98 CarbonylContact O-C 3.52Å; L87-I98 VanDerWaalsContact O-CA 3.26Å; L87-I98 WeakPolarHBondContact O-CA 3.03Å; L87-F99 HydrophobicContact CB-CB 4.44Å; L87-F99 PolarHBondContact N-O 2.67Å; L87-F99 PolarHBondContact O-N 3.29Å; L87-I101 HydrophobicContact CD1-CG2 3.82Å; L87-I101 HydrophobicContact CG-CG2 4Å
88	C	98.8	Very high	98.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.2	164.7	-175.7	0	0	0	0	109.1	V78 A79 K97 F122 I129	V78-C88 CarbonylContact C-O 3.52Å; V78-C88 VanDerWaalsContact CA-O 3.3Å; V78-C88 WeakPolarHBondContact CA-O 3.48Å; A79-C88 PolarHBondContact N-O 3.01Å; A79-C88 PolarHBondContact O-N 3.04Å; C88-K97 CarbonylContact C-O 3.58Å; C88-K97 VanDerWaalsContact CA-O 3.25Å; C88-K97 WeakPolarHBondContact CA-O 3.2Å; C88-F122 HydrophobicContact CB-CD2 4.15Å; C88-F122 HydrophobicContact CB-CE2 3.4Å; C88-F122 VanDerWaalsContact CB-CE2 3.4Å; C88-F122 HydrophobicContact CB-CZ 3.82Å; C88-I129 HydrophobicContact CB-CD1 3.93Å; C88-I129 HydrophobicContact CB-CG1 4.32Å
89	T	98.9	Very high	98.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144	179.5	51.1	0	0	0	0	110.9	V54 H71 D77 V78 L96 K97 F99	V54-T89 HydrophobicContact CG2-CG2 3.36Å; H71-T89 PolarHBondContact CD2-OG1 3.15Å; H71-T89 PolarHBondContact NE2-OG1 2.82Å; D77-T89 WeakPolarHBondContact O-CA 3.33Å; V78-T89 HydrophobicContact CG2-CG2 4.24Å; T89-L96 CarbonylContact O-C 3.59Å; T89-L96 WeakPolarHBondContact O-CA 3.19Å; T89-L96 VanDerWaalsContact O-CB 3.26Å; T89-L96 WeakPolarHBondContact O-CB 3.29Å; T89-K97 PolarHBondContact N-O 3.31Å; T89-K97 PolarHBondContact O-N 2.91Å; T89-K97 VanDerWaalsContact O-N 3.15Å; T89-K97 PolarHBondContact OG1-O 3.49Å; T89-F99 HydrophobicContact CG2-CD2 4.22Å; T89-F99 HydrophobicContact CG2-CE2 4.07Å; T89-F99 WeakPolarHBondContact OG1-CE2 3.37Å
90	A	98.9	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137.9	173.8	0	0	0	0	0	110.3	L75 N76 D77 V117 C120	L75-A90 CarbonylContact C-O 3.57Å; L75-A90 WeakPolarHBondContact CA-O 3.27Å; N76-A90 PolarHBondContact N-O 2.82Å; D77-A90 HydrophobicContact CB-CB 4.21Å; D77-A90 PolarHBondContact O-N 2.83Å; A90-V117 HydrophobicContact CB-CB 3.96Å; A90-V117 HydrophobicContact CB-CG1 3.68Å; A90-C120 HydrophobicContact CB-CB 4.19Å
91	S	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	156.6	-172.2	-178.6	0	0	0	0	114.4	H71 F73 G74 D93 R94 T95 V117	H71-S91 VanDerWaalsContact CE1-CB 3.42Å; H71-S91 WeakPolarHBondContact CE1-CB 3.39Å; H71-S91 WeakPolarHBondContact ND1-CB 3.36Å; H71-S91 PolarHBondContact ND1-OG 2.89Å; F73-S91 PolarHBondContact O-OG 3.1Å; G74-S91 WeakPolarHBondContact O-CA 3.3Å; G74-S91 WeakPolarHBondContact O-CB 3.42Å; G74-S91 PolarHBondContact O-OG 2.79Å; S91-D93 WeakPolarHBondContact CB-OD1 3.34Å; S91-D93 PolarHBondContact O-N 3.05Å; S91-D93 PolarHBondContact OG-N 3.46Å; S91-D93 PolarHBondContact OG-OD1 3.07Å; S91-R94 PolarHBondContact O-N 2.86Å; S91-R94 VanDerWaalsContact O-N 3.11Å; S91-T95 PolarHBondContact N-O 3.05Å; S91-V117 PolarHBondContact N-O 2.97Å; S91-V117 PolarHBondContact O-N 2.9Å; S91-V117 VanDerWaalsContact O-N 3.09Å
92	D	98.8	Very high	98.4	Very high	42 Å²	42	29.2 Å²	29.2	23%	0.225	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.7	168.8	-64.3	-18.7	0	0	0	113.2	F73 G74 N76 R94 Y116	F73-D92 HydrophobicContact CB-CB 3.74Å; G74-D92 PolarHBondContact O-N 2.82Å; N76-D92 PolarHBondContact ND2-OD1 2.87Å; D92-R94 PolarHBondContact O-N 3.03Å; D92-R94 VanDerWaalsContact O-N 3.12Å; D92-Y116 HydrophobicContact CB-CD1 3.97Å; D92-Y116 HydrophobicContact CB-CD2 4.49Å; D92-Y116 HydrophobicContact CB-CE1 4.18Å; D92-Y116 HydrophobicContact CB-CG 4.15Å; D92-Y116 WeakPolarHBondContact O-CD1 3.44Å; D92-Y116 WeakPolarHBondContact O-CE1 3.26Å
93	D	98.6	Very high	98.3	Very high	25 Å²	25	34 Å²	34	13%	0.134	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	8.3	170.7	74.9	14.9	0	0	0	114.3	H71 K72 F73 S91 T95	H71-D93 WeakPolarHBondContact CA-OD2 2.95Å; H71-D93 IonicContact CE1-OD1 2.74Å; H71-D93 IonicContact CE1-OD2 3.01Å; H71-D93 IonicContact CG-OD2 3.4Å; H71-D93 VanDerWaalsContact ND1-CG 3.31Å; H71-D93 IonicContact ND1-OD1 2.84Å; H71-D93 PolarHBondContact ND1-OD1 2.77Å; H71-D93 VanDerWaalsContact ND1-OD1 3.16Å; H71-D93 IonicContact ND1-OD2 3.01Å; H71-D93 PolarHBondContact ND1-OD2 3.01Å; K72-D93 HydrophobicContact CB-CB 4.11Å; K72-D93 PolarHBondContact N-OD2 3.42Å; F73-D93 HydrophobicContact CB-CB 4.35Å; F73-D93 HydrophobicContact CD2-CB 3.7Å; F73-D93 HydrophobicContact CG-CB 4.43Å; S91-D93 WeakPolarHBondContact CB-OD1 3.34Å; S91-D93 PolarHBondContact O-N 3.05Å; S91-D93 PolarHBondContact OG-N 3.46Å; S91-D93 PolarHBondContact OG-OD1 3.07Å; D93-T95 PolarHBondContact O-N 2.99Å; D93-T95 WeakPolarHBondContact OD1-CB 3.28Å; D93-T95 PolarHBondContact OD1-N 2.89Å; D93-T95 VanDerWaalsContact OD1-N 3.1Å; D93-T95 PolarHBondContact OD1-OG1 3.01Å
94	R	98.8	Very high	98.3	Very high	136 Å²	136	31.8 Å²	31.8	51%	0.513	15%	0.145	S	C	.	.	S	Bend	trans	68	12.5	176	-42.1	179.3	-171.7	170.3	1.7	113.3	S91 D92 S115	S91-R94 PolarHBondContact O-N 2.86Å; S91-R94 VanDerWaalsContact O-N 3.11Å; D92-R94 PolarHBondContact O-N 3.03Å; D92-R94 VanDerWaalsContact O-N 3.12Å; R94-S115 WeakPolarHBondContact CA-O 3.34Å; R94-S115 VanDerWaalsContact CB-O 3.29Å; R94-S115 WeakPolarHBondContact CB-O 3.25Å; R94-S115 WeakPolarHBondContact CG-O 3.39Å
95	T	98.9	Very high	98.2	Very high	20 Å²	20	37.8 Å²	37.8	12%	0.123	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	156.8	178.2	74.5	0	0	0	0	111.2	H71 S91 D93 T109 L110	H71-T95 PolarHBondContact CE1-OG1 2.99Å; S91-T95 PolarHBondContact N-O 3.05Å; D93-T95 PolarHBondContact O-N 2.99Å; D93-T95 WeakPolarHBondContact OD1-CB 3.28Å; D93-T95 PolarHBondContact OD1-N 2.89Å; D93-T95 VanDerWaalsContact OD1-N 3.1Å; D93-T95 PolarHBondContact OD1-OG1 3.01Å; T95-T109 HydrophobicContact CG2-CG2 3.83Å; T95-L110 WeakPolarHBondContact CA-O 3.11Å
96	L	98.9	Very high	98.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	154.1	155.8	-55.7	94.4	0	0	0	109.7	T89 T109 L110 V117 C120 I129 W141	T89-L96 CarbonylContact O-C 3.59Å; T89-L96 WeakPolarHBondContact O-CA 3.19Å; T89-L96 VanDerWaalsContact O-CB 3.26Å; T89-L96 WeakPolarHBondContact O-CB 3.29Å; L96-T109 CarbonylContact O-C 3.54Å; L96-T109 WeakPolarHBondContact O-CA 3.24Å; L96-L110 HydrophobicContact CB-CB 4.05Å; L96-L110 HydrophobicContact CB-CD1 4.06Å; L96-L110 HydrophobicContact CB-CG 4.21Å; L96-L110 HydrophobicContact CD1-CB 4.35Å; L96-L110 PolarHBondContact N-O 2.78Å; L96-L110 PolarHBondContact O-N 3.47Å; L96-V117 HydrophobicContact CD1-CG1 3.87Å; L96-V117 HydrophobicContact CD1-CG2 4.09Å; L96-V117 HydrophobicContact CD2-CG1 4.11Å; L96-V117 HydrophobicContact CG-CG1 3.87Å; L96-V117 HydrophobicContact CG-CG2 4.45Å; L96-C120 HydrophobicContact CD2-CB 3.55Å; L96-I129 HydrophobicContact CD2-CG2 4.2Å; L96-W141 HydrophobicContact CD1-CZ2 3.79Å
97	K	98.8	Very high	98.2	Very high	24 Å²	24	36.5 Å²	36.5	10%	0.104	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.1	169.1	-70.3	175.8	-168.7	-77.7	0	110.7	G70 H71 C88 T89 F99 K108 T109	G70-K97 WeakPolarHBondContact O-CE 3.46Å; H71-K97 WeakPolarHBondContact NE2-CD 3.46Å; C88-K97 CarbonylContact C-O 3.58Å; C88-K97 VanDerWaalsContact CA-O 3.25Å; C88-K97 WeakPolarHBondContact CA-O 3.2Å; T89-K97 PolarHBondContact N-O 3.31Å; T89-K97 PolarHBondContact O-N 2.91Å; T89-K97 VanDerWaalsContact O-N 3.15Å; T89-K97 PolarHBondContact OG1-O 3.49Å; K97-F99 HydrophobicContact CB-CD2 4.11Å; K97-F99 HydrophobicContact CB-CE2 3.44Å; K97-F99 VanDerWaalsContact CB-CE2 3.44Å; K97-F99 HydrophobicContact CB-CZ 3.87Å; K97-F99 HydrophobicContact CD-CE2 4.27Å; K97-F99 HydrophobicContact CD-CZ 3.88Å; K97-F99 HydrophobicContact CG-CE2 4.49Å; K97-K108 VanDerWaalsContact CA-O 3.28Å; K97-K108 WeakPolarHBondContact CA-O 3.2Å; K97-T109 HydrophobicContact CG-CG2 4.38Å; K97-T109 PolarHBondContact NZ-OG1 2.89Å
98	I	98.8	Very high	98.2	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.5	170.9	-54.1	177.9	0	0	0	107.3	L87 L107 K108 L110 I129 V143	L87-I98 CarbonylContact O-C 3.52Å; L87-I98 VanDerWaalsContact O-CA 3.26Å; L87-I98 WeakPolarHBondContact O-CA 3.03Å; I98-L107 PolarHBondContact O-N 3Å; I98-K108 HydrophobicContact CB-CB 4.16Å; I98-K108 HydrophobicContact CD1-CB 4.14Å; I98-K108 HydrophobicContact CD1-CG 4.34Å; I98-K108 HydrophobicContact CG1-CB 4.23Å; I98-K108 PolarHBondContact N-O 3.4Å; I98-K108 PolarHBondContact O-N 2.98Å; I98-L110 HydrophobicContact CD1-CD1 4.32Å; I98-L110 HydrophobicContact CD1-CD2 4.29Å; I98-L110 HydrophobicContact CG1-CD1 4.37Å; I98-I129 HydrophobicContact CD1-CD1 3.53Å; I98-I129 HydrophobicContact CG1-CD1 3.75Å; I98-V143 HydrophobicContact CD1-CG1 4.2Å
99	F	98.7	Very high	98.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.9	179.8	-67.4	-89	0	0	0	111.3	L68 L69 Y86 L87 T89 K97 R105 C106	L68-F99 HydrophobicContact CB-CD1 4Å; L68-F99 HydrophobicContact CB-CE1 4.17Å; L68-F99 HydrophobicContact CB-CG 4.36Å; L68-F99 HydrophobicContact CD1-CB 3.72Å; L68-F99 HydrophobicContact CD1-CD1 4.31Å; L68-F99 HydrophobicContact CD1-CD2 4.43Å; L68-F99 HydrophobicContact CD1-CG 3.93Å; L69-F99 WeakPolarHBondContact O-CE1 3.38Å; Y86-F99 VanDerWaalsContact CA-O 3.23Å; Y86-F99 WeakPolarHBondContact CA-O 3.14Å; L87-F99 HydrophobicContact CB-CB 4.44Å; L87-F99 PolarHBondContact N-O 2.67Å; L87-F99 PolarHBondContact O-N 3.29Å; T89-F99 HydrophobicContact CG2-CD2 4.22Å; T89-F99 HydrophobicContact CG2-CE2 4.07Å; T89-F99 WeakPolarHBondContact OG1-CE2 3.37Å; K97-F99 HydrophobicContact CB-CD2 4.11Å; K97-F99 HydrophobicContact CB-CE2 3.44Å; K97-F99 VanDerWaalsContact CB-CE2 3.44Å; K97-F99 HydrophobicContact CB-CZ 3.87Å; K97-F99 HydrophobicContact CD-CE2 4.27Å; K97-F99 HydrophobicContact CD-CZ 3.88Å; K97-F99 HydrophobicContact CG-CE2 4.49Å; F99-R105 WeakPolarHBondContact CA-O 3.4Å; F99-C106 HydrophobicContact CD1-CB 3.99Å; F99-C106 HydrophobicContact CE1-CB 3.65Å; F99-C106 HydrophobicContact CZ-CB 4.3Å
100	D	98.2	Very high	98.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.7	163.7	-172	-36.1	0	0	0	107.9	R85 Y86 D102 Y103 A104 R105 L107	R85-D100 IonicContact CZ-OD2 3.69Å; R85-D100 IonicContact NE-OD1 2.61Å; R85-D100 PolarHBondContact NE-OD1 3.12Å; R85-D100 IonicContact NE-OD2 2.71Å; R85-D100 PolarHBondContact NE-OD2 3.22Å; R85-D100 IonicContact NH2-OD2 3.45Å; R85-D100 PolarHBondContact NH2-OD2 3.02Å; Y86-D100 HydrophobicContact CD1-CB 4.08Å; Y86-D100 HydrophobicContact CE1-CB 3.94Å; D100-D102 PolarHBondContact OD1-N 3.27Å; D100-D102 VanDerWaalsContact OD1-N 3.1Å; D100-Y103 WeakPolarHBondContact OD2-CD2 3.32Å; D100-A104 WeakPolarHBondContact O-CA 3.5Å; D100-A104 PolarHBondContact O-N 2.95Å; D100-R105 HydrophobicContact CB-CG 4.47Å; D100-R105 PolarHBondContact N-O 2.67Å; D100-R105 PolarHBondContact O-N 3.45Å; D100-L107 HydrophobicContact CB-CD1 3.98Å; D100-L107 HydrophobicContact CB-CD2 4.17Å; D100-L107 HydrophobicContact CB-CG 4.06Å
101	I	97.4	Very high	98.2	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-32.7	-175	70.7	167.9	0	0	0	112.3	Y44 V56 Y65 R66 L68 W80 S84 R85 L87 Y103 A104	Y44-I101 HydrophobicContact CD2-CD1 4.27Å; Y44-I101 HydrophobicContact CE2-CD1 4.2Å; V56-I101 HydrophobicContact CG2-CG2 4.24Å; Y65-I101 HydrophobicContact CE1-CD1 4.25Å; R66-I101 WeakPolarHBondContact CG-O 3.44Å; L68-I101 HydrophobicContact CD1-CG2 4.44Å; W80-I101 HydrophobicContact CH2-CD1 4.01Å; W80-I101 HydrophobicContact CH2-CG2 4.27Å; W80-I101 HydrophobicContact CZ3-CD1 3.91Å; W80-I101 HydrophobicContact CZ3-CG2 4.06Å; S84-I101 WeakPolarHBondContact O-CD1 3.39Å; R85-I101 WeakPolarHBondContact O-CG1 3.45Å; R85-I101 PolarHBondContact O-N 3.16Å; L87-I101 HydrophobicContact CD1-CG2 3.82Å; L87-I101 HydrophobicContact CG-CG2 4Å; I101-Y103 VanDerWaalsContact C-N 3.34Å; I101-Y103 PolarHBondContact O-N 3.27Å; I101-A104 PolarHBondContact O-N 2.78Å
102	D	95.8	Very high	98.1	Very high	70 Å²	70	48.5 Å²	48.5	37%	0.374	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-42	-174.2	-71.5	-28	0	0	0	110.7	R66 R85 D100	R66-D102 PolarHBondContact NH2-O 3Å; R85-D102 IonicContact NE-OD2 2.84Å; D100-D102 PolarHBondContact OD1-N 3.27Å; D100-D102 VanDerWaalsContact OD1-N 3.1Å
103	Y	96.6	Very high	98.1	Very high	153 Å²	153	47 Å²	47	60%	0.6	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.7	178.8	-59.2	-83.7	0	0	0	113.7	D100 I101 R105	D100-Y103 WeakPolarHBondContact OD2-CD2 3.32Å; I101-Y103 VanDerWaalsContact C-N 3.34Å; I101-Y103 PolarHBondContact O-N 3.27Å; Y103-R105 PolarHBondContact O-N 2.8Å; Y103-R105 VanDerWaalsContact O-N 3.16Å
104	A	96.9	Very high	98.1	Very high	40 Å²	40	50.7 Å²	50.7	33%	0.331	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	40.9	-178.9	0	0	0	0	0	114.6	L68 D100 I101	L68-A104 HydrophobicContact CD2-CB 3.91Å; D100-A104 WeakPolarHBondContact O-CA 3.5Å; D100-A104 PolarHBondContact O-N 2.95Å; I101-A104 PolarHBondContact O-N 2.78Å
105	R	97	Very high	98.1	Very high	133 Å²	133	45.8 Å²	45.8	50%	0.502	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146	-172.2	70.4	-178.3	179.3	166.5	-0.4	112.7	F99 D100 Y103 L107	F99-R105 WeakPolarHBondContact CA-O 3.4Å; D100-R105 HydrophobicContact CB-CG 4.47Å; D100-R105 PolarHBondContact N-O 2.67Å; D100-R105 PolarHBondContact O-N 3.45Å; Y103-R105 PolarHBondContact O-N 2.8Å; Y103-R105 VanDerWaalsContact O-N 3.16Å; R105-L107 HydrophobicContact CG-CD2 4.08Å; R105-L107 PolarHBondContact O-N 2.63Å
106	C	98.1	Very high	98.1	Very high	49 Å²	49	50 Å²	50	33%	0.331	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	119.5	169.2	177.6	0	0	0	0	109.7	F99 K108	F99-C106 HydrophobicContact CD1-CB 3.99Å; F99-C106 HydrophobicContact CE1-CB 3.65Å; F99-C106 HydrophobicContact CZ-CB 4.3Å; C106-K108 PolarHBondContact SG-O 3.48Å
107	L	98.1	Very high	98.1	Very high	67 Å²	67	50 Å²	50	35%	0.351	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-39.5	175.7	-62.1	-177	0	0	0	112.4	Y86 I98 D100 R105	Y86-L107 HydrophobicContact CD1-CD1 3.78Å; Y86-L107 HydrophobicContact CE1-CD1 3.57Å; I98-L107 PolarHBondContact O-N 3Å; D100-L107 HydrophobicContact CB-CD1 3.98Å; D100-L107 HydrophobicContact CB-CD2 4.17Å; D100-L107 HydrophobicContact CB-CG 4.06Å; R105-L107 HydrophobicContact CG-CD2 4.08Å; R105-L107 PolarHBondContact O-N 2.63Å
108	K	98.3	Very high	98.1	Very high	79 Å²	79	51.4 Å²	51.4	34%	0.343	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.8	-174.8	-61	-68.2	-179.8	170	0	110.4	K97 I98 C106 L110 R144 T145	K97-K108 VanDerWaalsContact CA-O 3.28Å; K97-K108 WeakPolarHBondContact CA-O 3.2Å; I98-K108 HydrophobicContact CB-CB 4.16Å; I98-K108 HydrophobicContact CD1-CB 4.14Å; I98-K108 HydrophobicContact CD1-CG 4.34Å; I98-K108 HydrophobicContact CG1-CB 4.23Å; I98-K108 PolarHBondContact N-O 3.4Å; I98-K108 PolarHBondContact O-N 2.98Å; C106-K108 PolarHBondContact SG-O 3.48Å; K108-L110 HydrophobicContact CB-CD2 4.1Å; K108-R144 WeakPolarHBondContact CE-O 3.47Å; K108-T145 PolarHBondContact NZ-O 2.74Å
109	T	98.7	Very high	98.1	Very high	61 Å²	61	51.6 Å²	51.6	37%	0.374	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.9	163.4	-61.2	0	0	0	0	107	T95 L96 K97	T95-T109 HydrophobicContact CG2-CG2 3.83Å; L96-T109 CarbonylContact O-C 3.54Å; L96-T109 WeakPolarHBondContact O-CA 3.24Å; K97-T109 HydrophobicContact CG-CG2 4.38Å; K97-T109 PolarHBondContact NZ-OG1 2.89Å
110	L	98.8	Very high	98.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	108.2	-179.9	-45	-175.8	0	0	0	107.7	T95 L96 I98 K108 I129 W141 G146	T95-L110 WeakPolarHBondContact CA-O 3.11Å; L96-L110 HydrophobicContact CB-CB 4.05Å; L96-L110 HydrophobicContact CB-CD1 4.06Å; L96-L110 HydrophobicContact CB-CG 4.21Å; L96-L110 HydrophobicContact CD1-CB 4.35Å; L96-L110 PolarHBondContact N-O 2.78Å; L96-L110 PolarHBondContact O-N 3.47Å; I98-L110 HydrophobicContact CD1-CD1 4.32Å; I98-L110 HydrophobicContact CD1-CD2 4.29Å; I98-L110 HydrophobicContact CG1-CD1 4.37Å; K108-L110 HydrophobicContact CB-CD2 4.1Å; L110-I129 HydrophobicContact CD1-CD1 4.05Å; L110-W141 HydrophobicContact CB-CD2 4.05Å; L110-W141 HydrophobicContact CB-CE3 3.75Å; L110-W141 HydrophobicContact CB-CH2 4.32Å; L110-W141 HydrophobicContact CB-CZ3 3.89Å; L110-W141 HydrophobicContact CD1-CB 3.87Å; L110-W141 HydrophobicContact CD1-CD2 4.01Å; L110-W141 HydrophobicContact CD1-CE3 4.36Å; L110-W141 HydrophobicContact CD1-CG 3.77Å; L110-W141 HydrophobicContact CG-CE3 4.49Å; L110-G146 VanDerWaalsContact CD2-CA 3.48Å; L110-G146 WeakPolarHBondContact CD2-O 3.33Å
111	S	98.5	Very high	98.2	Very high	82 Å²	82	52.5 Å²	52.5	57%	0.573	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.2	-178.4	-58.8	0	0	0	0	110.1	W141	S111-W141 WeakPolarHBondContact O-CZ3 3.45Å
112	G	98.4	Very high	98.2	Very high	29 Å²	29	53 Å²	53	30%	0.299	28%	0.28	S	S	.	.			trans	165.3	-32.2	174.9	0	0	0	0	0	114.1	R139	G112-R139 PolarHBondContact O-NH2 3.31Å
113	H	98.8	Very high	98.3	Very high	11 Å²	11	50.1 Å²	50.1	5%	0.051	27%	0.265	C	S	.	.			trans	-62.6	144.3	171.2	-79.7	-61.2	0	0	0	111	V117 S131 S133 D135 T137 W141	H113-V117 HydrophobicContact CB-CG2 3.98Å; H113-S131 PolarHBondContact NE2-OG 2.97Å; H113-S133 WeakPolarHBondContact CE1-CB 3.29Å; H113-S133 WeakPolarHBondContact ND1-CB 3.29Å; H113-S133 PolarHBondContact ND1-OG 3.43Å; H113-D135 WeakPolarHBondContact CA-OD2 3.42Å; H113-D135 VanDerWaalsContact CB-OD2 3.25Å; H113-D135 WeakPolarHBondContact CB-OD2 3.26Å; H113-D135 IonicContact CE1-OD1 2.74Å; H113-D135 IonicContact CE1-OD2 3.92Å; H113-D135 IonicContact CG-OD2 3.35Å; H113-D135 IonicContact ND1-OD1 3.59Å; H113-D135 PolarHBondContact ND1-OD1 3.04Å; H113-D135 VanDerWaalsContact ND1-OD1 3.17Å; H113-D135 IonicContact ND1-OD2 2.84Å; H113-D135 PolarHBondContact ND1-OD2 3.03Å; H113-T137 PolarHBondContact CE1-OG1 2.91Å; H113-T137 PolarHBondContact ND1-OG1 2.84Å; H113-W141 AromaticContact CD2-CZ2 3.89Å
114	T	98.7	Very high	98.4	Very high	102 Å²	102	45.1 Å²	45.1	63%	0.626	25%	0.251	S	S	*	.	S	Bend	trans	-100.4	-8.3	-176.5	54.3	0	0	0	0	112.8	D135	T114-D135 PolarHBondContact N-OD2 2.86Å; T114-D135 WeakPolarHBondContact OG1-CB 3.39Å
115	S	98.7	Very high	98.4	Very high	34 Å²	34	48.7 Å²	48.7	24%	0.238	26%	0.261	C	S	.	.	S	Bend	trans	-134.8	-171.2	174.1	-160.8	0	0	0	0	110.7	R94 V117 L134	R94-S115 WeakPolarHBondContact CA-O 3.34Å; R94-S115 VanDerWaalsContact CB-O 3.29Å; R94-S115 WeakPolarHBondContact CB-O 3.25Å; R94-S115 WeakPolarHBondContact CG-O 3.39Å; S115-V117 PolarHBondContact O-N 3.23Å; S115-L134 WeakPolarHBondContact OG-CB 3.47Å
116	Y	98.6	Very high	98.5	Very high	107 Å²	107	43.4 Å²	43.4	42%	0.42	24%	0.244	S	C	.	.			trans	-60.5	132.9	-177.5	-55.3	-19.1	0	0	0	111.4	D92 S133 L134	D92-Y116 HydrophobicContact CB-CD1 3.97Å; D92-Y116 HydrophobicContact CB-CD2 4.49Å; D92-Y116 HydrophobicContact CB-CE1 4.18Å; D92-Y116 HydrophobicContact CB-CG 4.15Å; D92-Y116 WeakPolarHBondContact O-CD1 3.44Å; D92-Y116 WeakPolarHBondContact O-CE1 3.26Å; Y116-S133 VanDerWaalsContact O-CA 3.29Å; Y116-S133 WeakPolarHBondContact O-CA 3.42Å; Y116-S133 WeakPolarHBondContact O-CB 3.23Å; Y116-S133 PolarHBondContact O-OG 3.02Å; Y116-S133 VanDerWaalsContact O-OG 3.04Å; Y116-L134 HydrophobicContact CD2-CD2 3.73Å; Y116-L134 HydrophobicContact CG-CD2 4.24Å; Y116-L134 PolarHBondContact O-N 2.91Å
117	V	98.9	Very high	98.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.3	171.7	-165.4	0	0	0	0	107.5	N76 A90 S91 L96 H113 S115 G132	N76-V117 PolarHBondContact ND2-O 3.02Å; A90-V117 HydrophobicContact CB-CB 3.96Å; A90-V117 HydrophobicContact CB-CG1 3.68Å; S91-V117 PolarHBondContact N-O 2.97Å; S91-V117 PolarHBondContact O-N 2.9Å; S91-V117 VanDerWaalsContact O-N 3.09Å; L96-V117 HydrophobicContact CD1-CG1 3.87Å; L96-V117 HydrophobicContact CD1-CG2 4.09Å; L96-V117 HydrophobicContact CD2-CG1 4.11Å; L96-V117 HydrophobicContact CG-CG1 3.87Å; L96-V117 HydrophobicContact CG-CG2 4.45Å; H113-V117 HydrophobicContact CB-CG2 3.98Å; S115-V117 PolarHBondContact O-N 3.23Å; V117-G132 WeakPolarHBondContact CG1-O 3.42Å
118	F	98.8	Very high	98.5	Very high	55 Å²	55	45 Å²	45	24%	0.241	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-41.6	-170.7	-168.7	-107.5	0	0	0	112.7	N76 D77 G132 L134 S160 C246	N76-F118 HydrophobicContact CB-CD2 4.11Å; N76-F118 WeakPolarHBondContact CB-O 3.37Å; D77-F118 WeakPolarHBondContact CB-O 3.16Å; F118-G132 PolarHBondContact N-O 2.88Å; F118-L134 HydrophobicContact CB-CD1 3.98Å; F118-L134 HydrophobicContact CD2-CD1 4.29Å; F118-L134 HydrophobicContact CG-CD1 4.37Å; F118-S160 VanDerWaalsContact CE1-O 3.28Å; F118-S160 WeakPolarHBondContact CE1-O 3.44Å; F118-C246 HydrophobicContact CE1-CB 3.8Å; F118-C246 HydrophobicContact CZ-CB 3.64Å
119	C	98.8	Very high	98.5	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	149.5	-173.4	54.1	0	0	0	0	111.4	S131 G132 I162	C119-S131 VanDerWaalsContact O-CA 3.28Å; C119-S131 WeakPolarHBondContact O-CA 3.36Å; C119-G132 PolarHBondContact N-O 2.88Å; C119-G132 PolarHBondContact O-N 2.86Å; C119-I162 HydrophobicContact CB-CG2 3.73Å; C119-I162 VanDerWaalsContact SG-CG2 3.51Å
120	C	98.8	Very high	98.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	150.4	179.8	66.9	0	0	0	0	112.6	D77 A90 L96 A130	D77-C120 PolarHBondContact OD2-N 3.46Å; A90-C120 HydrophobicContact CB-CB 4.19Å; L96-C120 HydrophobicContact CD2-CB 3.55Å; C120-A130 VanDerWaalsContact CA-O 3.3Å; C120-A130 WeakPolarHBondContact CA-O 3.23Å
121	T	98.7	Very high	98.5	Very high	21 Å²	21	38.3 Å²	38.3	13%	0.129	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	149.7	173.7	-173.8	0	0	0	0	111.7	I129 A130 I162 Y164	T121-I129 CarbonylContact O-C 3.54Å; T121-I129 VanDerWaalsContact O-CA 3.29Å; T121-I129 WeakPolarHBondContact O-CA 3.11Å; T121-A130 HydrophobicContact CG2-CB 4.32Å; T121-A130 PolarHBondContact N-O 3.06Å; T121-A130 PolarHBondContact O-N 3.2Å; T121-I162 HydrophobicContact CG2-CG1 4.41Å; T121-I162 HydrophobicContact CG2-CG2 4.25Å; T121-Y164 HydrophobicContact CG2-CD2 3.47Å; T121-Y164 VanDerWaalsContact CG2-CD2 3.47Å; T121-Y164 HydrophobicContact CG2-CE2 4.06Å; T121-Y164 HydrophobicContact CG2-CG 4.41Å
122	F	98.8	Very high	98.6	Very high	12 Å²	12	34.4 Å²	34.4	5%	0.053	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	149.5	166.9	-79.3	-90.1	0	0	0	109.9	A79 W80 A81 C88 R128 I129 V143 Y164	A79-F122 HydrophobicContact CB-CD2 4.21Å; W80-F122 VanDerWaalsContact C-CD2 3.41Å; W80-F122 VanDerWaalsContact O-CD2 3.29Å; W80-F122 WeakPolarHBondContact O-CD2 3.35Å; A81-F122 HydrophobicContact CB-CD1 4.34Å; A81-F122 HydrophobicContact CB-CD2 4.37Å; A81-F122 HydrophobicContact CB-CE1 4.16Å; A81-F122 HydrophobicContact CB-CE2 4.19Å; A81-F122 HydrophobicContact CB-CG 4.43Å; A81-F122 HydrophobicContact CB-CZ 4.09Å; C88-F122 HydrophobicContact CB-CD2 4.15Å; C88-F122 HydrophobicContact CB-CE2 3.4Å; C88-F122 VanDerWaalsContact CB-CE2 3.4Å; C88-F122 HydrophobicContact CB-CZ 3.82Å; F122-R128 WeakPolarHBondContact CA-O 3.46Å; F122-I129 HydrophobicContact CD1-CD1 4.28Å; F122-I129 HydrophobicContact CD1-CG1 3.62Å; F122-I129 HydrophobicContact CD2-CG1 4.45Å; F122-I129 HydrophobicContact CE1-CD1 3.7Å; F122-I129 HydrophobicContact CE1-CG1 3.57Å; F122-I129 HydrophobicContact CE2-CG1 4.42Å; F122-I129 HydrophobicContact CG-CG1 4.09Å; F122-I129 HydrophobicContact CZ-CD1 3.85Å; F122-I129 HydrophobicContact CZ-CG1 3.99Å; F122-V143 HydrophobicContact CD1-CG2 4.05Å; F122-V143 HydrophobicContact CE1-CG1 4.31Å; F122-V143 HydrophobicContact CE1-CG2 3.73Å; F122-Y164 VanDerWaalsContact C-CD2 3.43Å; F122-Y164 VanDerWaalsContact O-CD2 3.28Å; F122-Y164 WeakPolarHBondContact O-CD2 3.36Å
123	N	98.3	Very high	98.6	Very high	10 Å²	10	33 Å²	33	5%	0.053	17%	0.169	C	C	.	.			trans	-71.9	161.8	161.7	76.9	-43.6	0	0	0	110.4	Q125 S126 N127 R128 Y164	N123-Q125 PolarHBondContact ND2-OE1 3.36Å; N123-Q125 PolarHBondContact O-N 3.12Å; N123-Q125 VanDerWaalsContact O-N 3.11Å; N123-S126 WeakPolarHBondContact O-CA 3.31Å; N123-S126 PolarHBondContact O-N 3.23Å; N123-S126 WeakPolarHBondContact OD1-CA 3.31Å; N123-S126 PolarHBondContact OD1-N 3.06Å; N123-S126 VanDerWaalsContact OD1-N 3.11Å; N123-N127 PolarHBondContact ND2-OD1 2.82Å; N123-N127 PolarHBondContact OD1-N 3.02Å; N123-N127 PolarHBondContact OD1-OD1 3Å; N123-R128 HydrophobicContact CB-CB 4.26Å; N123-R128 PolarHBondContact N-O 3.16Å; N123-R128 PolarHBondContact OD1-N 3.11Å; N123-R128 PolarHBondContact OD1-O 2.85Å; N123-R128 VanDerWaalsContact OD1-O 3.08Å; N123-Y164 HydrophobicContact CB-CD1 3.88Å; N123-Y164 HydrophobicContact CB-CD2 3.92Å; N123-Y164 HydrophobicContact CB-CE1 3.73Å; N123-Y164 HydrophobicContact CB-CE2 3.8Å; N123-Y164 HydrophobicContact CB-CG 3.98Å
124	P	97.8	Very high	98.6	Very high	48 Å²	48	35.3 Å²	35.3	31%	0.312	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.9	-178.5	-27.7	35.9	0	0	0	114.5	A82 S126 P166 G168	A82-P124 WeakPolarHBondContact CB-O 3.15Å; P124-S126 VanDerWaalsContact C-N 3.27Å; P124-S126 PolarHBondContact O-N 3.38Å; P124-P166 WeakPolarHBondContact CG-O 3.43Å; P124-G168 VanDerWaalsContact CD-CA 3.47Å
125	Q	97.6	Very high	98.6	Very high	115 Å²	115	31.5 Å²	31.5	54%	0.537	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.6	176.9	-58.6	77.7	18.3	0	0	113.4	N123 N127 N167	N123-Q125 PolarHBondContact ND2-OE1 3.36Å; N123-Q125 PolarHBondContact O-N 3.12Å; N123-Q125 VanDerWaalsContact O-N 3.11Å; Q125-N127 PolarHBondContact O-N 3.11Å; Q125-N167 PolarHBondContact NE2-O 2.64Å
126	S	98.3	Very high	98.6	Very high	22 Å²	22	33.9 Å²	33.9	15%	0.154	16%	0.164	C	C	.	.	S	Bend	trans	54.4	24.2	178.9	-57.1	0	0	0	0	115.3	A82 N123 P124	A82-S126 WeakPolarHBondContact CB-OG 3.27Å; A82-S126 PolarHBondContact N-OG 2.85Å; N123-S126 WeakPolarHBondContact O-CA 3.31Å; N123-S126 PolarHBondContact O-N 3.23Å; N123-S126 WeakPolarHBondContact OD1-CA 3.31Å; N123-S126 PolarHBondContact OD1-N 3.06Å; N123-S126 VanDerWaalsContact OD1-N 3.11Å; P124-S126 VanDerWaalsContact C-N 3.27Å; P124-S126 PolarHBondContact O-N 3.38Å
127	N	98.1	Very high	98.6	Very high	74 Å²	74	29.4 Å²	29.4	40%	0.396	15%	0.148	S	C	.	.	S	Bend	trans	-99.7	-7.8	174.9	68.9	-16.9	0	0	0	112.4	N123 Q125 V143	N123-N127 PolarHBondContact ND2-OD1 2.82Å; N123-N127 PolarHBondContact OD1-N 3.02Å; N123-N127 PolarHBondContact OD1-OD1 3Å; Q125-N127 PolarHBondContact O-N 3.11Å; N127-V143 VanDerWaalsContact C-CG2 3.49Å; N127-V143 PolarHBondContact O-N 2.71Å
128	R	98.4	Very high	98.6	Very high	75 Å²	75	29.4 Å²	29.4	28%	0.283	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.5	176.4	-57.3	-65.5	178.7	-106.2	10.2	110.8	F122 N123 V140 W141 D142 L149	F122-R128 WeakPolarHBondContact CA-O 3.46Å; N123-R128 HydrophobicContact CB-CB 4.26Å; N123-R128 PolarHBondContact N-O 3.16Å; N123-R128 PolarHBondContact OD1-N 3.11Å; N123-R128 PolarHBondContact OD1-O 2.85Å; N123-R128 VanDerWaalsContact OD1-O 3.08Å; R128-V140 HydrophobicContact CB-CG1 4.36Å; R128-W141 VanDerWaalsContact CA-O 3.26Å; R128-W141 WeakPolarHBondContact CA-O 3.49Å; R128-W141 WeakPolarHBondContact CD-O 3.49Å; R128-D142 IonicContact CZ-OD2 2.8Å; R128-D142 IonicContact NH1-OD2 3.17Å; R128-D142 PolarHBondContact NH1-OD2 2.84Å; R128-D142 IonicContact NH2-OD2 3.48Å; R128-L149 VanDerWaalsContact CD-CD1 3.46Å
129	I	98.8	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.5	165.2	-70.4	155.1	0	0	0	107.3	C88 L96 I98 L110 T121 F122 V140 W141 V143	C88-I129 HydrophobicContact CB-CD1 3.93Å; C88-I129 HydrophobicContact CB-CG1 4.32Å; L96-I129 HydrophobicContact CD2-CG2 4.2Å; I98-I129 HydrophobicContact CD1-CD1 3.53Å; I98-I129 HydrophobicContact CG1-CD1 3.75Å; L110-I129 HydrophobicContact CD1-CD1 4.05Å; T121-I129 CarbonylContact O-C 3.54Å; T121-I129 VanDerWaalsContact O-CA 3.29Å; T121-I129 WeakPolarHBondContact O-CA 3.11Å; F122-I129 HydrophobicContact CD1-CD1 4.28Å; F122-I129 HydrophobicContact CD1-CG1 3.62Å; F122-I129 HydrophobicContact CD2-CG1 4.45Å; F122-I129 HydrophobicContact CE1-CD1 3.7Å; F122-I129 HydrophobicContact CE1-CG1 3.57Å; F122-I129 HydrophobicContact CE2-CG1 4.42Å; F122-I129 HydrophobicContact CG-CG1 4.09Å; F122-I129 HydrophobicContact CZ-CD1 3.85Å; F122-I129 HydrophobicContact CZ-CG1 3.99Å; I129-V140 CarbonylContact O-C 3.56Å; I129-V140 WeakPolarHBondContact O-CA 3.33Å; I129-W141 HydrophobicContact CB-CB 4.34Å; I129-W141 PolarHBondContact N-O 2.98Å; I129-W141 VanDerWaalsContact N-O 3.12Å; I129-W141 PolarHBondContact O-N 3.33Å; I129-V143 HydrophobicContact CD1-CG2 3.81Å; I129-V143 HydrophobicContact CG1-CG2 3.81Å
130	A	98.8	Very high	98.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.2	165.4	0	0	0	0	0	109.5	C120 T121 R139 I162 Y164 I171	C120-A130 VanDerWaalsContact CA-O 3.3Å; C120-A130 WeakPolarHBondContact CA-O 3.23Å; T121-A130 HydrophobicContact CG2-CB 4.32Å; T121-A130 PolarHBondContact N-O 3.06Å; T121-A130 PolarHBondContact O-N 3.2Å; A130-R139 CarbonylContact C-O 3.55Å; A130-R139 VanDerWaalsContact CA-O 3.27Å; A130-R139 WeakPolarHBondContact CA-O 3.37Å; A130-I162 HydrophobicContact CB-CD1 3.53Å; A130-I162 HydrophobicContact CB-CG1 4.3Å; A130-Y164 HydrophobicContact CB-CD2 4.37Å; A130-Y164 HydrophobicContact CB-CE2 3.52Å; A130-I171 HydrophobicContact CB-CD1 4.05Å
131	S	98.9	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	144.5	178.6	63.6	0	0	0	0	112.5	H113 C119 V138 R139 W141	H113-S131 PolarHBondContact NE2-OG 2.97Å; C119-S131 VanDerWaalsContact O-CA 3.28Å; C119-S131 WeakPolarHBondContact O-CA 3.36Å; S131-V138 CarbonylContact O-C 3.39Å; S131-V138 VanDerWaalsContact O-CA 3.22Å; S131-V138 WeakPolarHBondContact O-CA 3.28Å; S131-R139 PolarHBondContact N-O 3.25Å; S131-R139 PolarHBondContact O-N 2.94Å; S131-W141 PolarHBondContact OG-NE1 3.07Å
132	G	98.9	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	148.7	171.2	0	0	0	0	0	111.3	V117 F118 C119	V117-G132 WeakPolarHBondContact CG1-O 3.42Å; F118-G132 PolarHBondContact N-O 2.88Å; C119-G132 PolarHBondContact N-O 2.88Å; C119-G132 PolarHBondContact O-N 2.86Å
133	S	98.9	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	162.2	-171.6	170.8	0	0	0	0	112.3	H113 Y116 D135 E136 T137 V159	H113-S133 WeakPolarHBondContact CE1-CB 3.29Å; H113-S133 WeakPolarHBondContact ND1-CB 3.29Å; H113-S133 PolarHBondContact ND1-OG 3.43Å; Y116-S133 VanDerWaalsContact O-CA 3.29Å; Y116-S133 WeakPolarHBondContact O-CA 3.42Å; Y116-S133 WeakPolarHBondContact O-CB 3.23Å; Y116-S133 PolarHBondContact O-OG 3.02Å; Y116-S133 VanDerWaalsContact O-OG 3.04Å; S133-D135 VanDerWaalsContact CB-OD1 3.24Å; S133-D135 WeakPolarHBondContact CB-OD1 3.35Å; S133-D135 PolarHBondContact O-N 2.84Å; S133-D135 PolarHBondContact OG-N 3.01Å; S133-D135 VanDerWaalsContact OG-N 3.08Å; S133-D135 PolarHBondContact OG-OD1 2.85Å; S133-D135 PolarHBondContact OG-OD2 2.97Å; S133-D135 VanDerWaalsContact OG-OD2 3.06Å; S133-E136 PolarHBondContact O-N 2.79Å; S133-T137 PolarHBondContact N-O 3.46Å; S133-V159 PolarHBondContact O-N 3.03Å; S133-V159 VanDerWaalsContact O-N 3.11Å
134	L	98.7	Very high	98.5	Very high	59 Å²	59	38.3 Å²	38.3	31%	0.309	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-4.6	168	-87.6	64.3	0	0	0	112.8	S115 Y116 F118 P158	S115-L134 WeakPolarHBondContact OG-CB 3.47Å; Y116-L134 HydrophobicContact CD2-CD2 3.73Å; Y116-L134 HydrophobicContact CG-CD2 4.24Å; Y116-L134 PolarHBondContact O-N 2.91Å; F118-L134 HydrophobicContact CB-CD1 3.98Å; F118-L134 HydrophobicContact CD2-CD1 4.29Å; F118-L134 HydrophobicContact CG-CD1 4.37Å; L134-P158 HydrophobicContact CD1-CB 4.3Å; L134-P158 HydrophobicContact CG-CB 3.99Å; L134-P158 HydrophobicContact CG-CG 4.2Å
135	D	98.6	Very high	98.5	Very high	23 Å²	23	39 Å²	39	12%	0.123	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	12.4	168	66.9	26.6	0	0	0	113.4	H113 T114 S133 T137	H113-D135 WeakPolarHBondContact CA-OD2 3.42Å; H113-D135 VanDerWaalsContact CB-OD2 3.25Å; H113-D135 WeakPolarHBondContact CB-OD2 3.26Å; H113-D135 IonicContact CE1-OD1 2.74Å; H113-D135 IonicContact CE1-OD2 3.92Å; H113-D135 IonicContact CG-OD2 3.35Å; H113-D135 IonicContact ND1-OD1 3.59Å; H113-D135 PolarHBondContact ND1-OD1 3.04Å; H113-D135 VanDerWaalsContact ND1-OD1 3.17Å; H113-D135 IonicContact ND1-OD2 2.84Å; H113-D135 PolarHBondContact ND1-OD2 3.03Å; T114-D135 PolarHBondContact N-OD2 2.86Å; T114-D135 WeakPolarHBondContact OG1-CB 3.39Å; S133-D135 VanDerWaalsContact CB-OD1 3.24Å; S133-D135 WeakPolarHBondContact CB-OD1 3.35Å; S133-D135 PolarHBondContact O-N 2.84Å; S133-D135 PolarHBondContact OG-N 3.01Å; S133-D135 VanDerWaalsContact OG-N 3.08Å; S133-D135 PolarHBondContact OG-OD1 2.85Å; S133-D135 PolarHBondContact OG-OD2 2.97Å; S133-D135 VanDerWaalsContact OG-OD2 3.06Å; D135-T137 WeakPolarHBondContact O-CG2 3.41Å; D135-T137 PolarHBondContact O-N 2.65Å; D135-T137 WeakPolarHBondContact OD1-CB 3.24Å; D135-T137 PolarHBondContact OD1-N 2.81Å; D135-T137 PolarHBondContact OD1-OG1 2.77Å
136	E	98.7	Very high	98.5	Very high	83 Å²	83	34.2 Å²	34.2	39%	0.388	17%	0.165	S	C	.	.	S	Bend	trans	68.3	1.1	175	-48.7	163.9	-159.6	0	0	114	S133 H155	S133-E136 PolarHBondContact O-N 2.79Å; E136-H155 PolarHBondContact O-N 3.09Å
137	T	98.7	Very high	98.5	Very high	13 Å²	13	36.7 Å²	36.7	8%	0.08	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	153.1	-179.8	73.9	0	0	0	0	112.9	H113 S133 D135 T151 I152 F153	H113-T137 PolarHBondContact CE1-OG1 2.91Å; H113-T137 PolarHBondContact ND1-OG1 2.84Å; S133-T137 PolarHBondContact N-O 3.46Å; D135-T137 WeakPolarHBondContact O-CG2 3.41Å; D135-T137 PolarHBondContact O-N 2.65Å; D135-T137 WeakPolarHBondContact OD1-CB 3.24Å; D135-T137 PolarHBondContact OD1-N 2.81Å; D135-T137 PolarHBondContact OD1-OG1 2.77Å; T137-T151 HydrophobicContact CG2-CG2 4.18Å; T137-I152 WeakPolarHBondContact CA-O 3.44Å; T137-F153 HydrophobicContact CG2-CD1 4.15Å; T137-F153 HydrophobicContact CG2-CE1 4.37Å
138	V	98.8	Very high	98.6	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	-108.5	131.2	165	171.1	0	0	0	0	108.4	S131 I152 A154 V159 I162 T173	S131-V138 CarbonylContact O-C 3.39Å; S131-V138 VanDerWaalsContact O-CA 3.22Å; S131-V138 WeakPolarHBondContact O-CA 3.28Å; V138-I152 HydrophobicContact CB-CB 4.22Å; V138-I152 HydrophobicContact CG1-CD1 4.38Å; V138-I152 PolarHBondContact N-O 3.21Å; V138-I152 PolarHBondContact O-N 3.45Å; V138-A154 HydrophobicContact CB-CB 3.99Å; V138-A154 HydrophobicContact CG2-CB 3.52Å; V138-V159 HydrophobicContact CG2-CG1 4.13Å; V138-V159 HydrophobicContact CG2-CG2 4.13Å; V138-I162 HydrophobicContact CG1-CD1 3.7Å; V138-I162 HydrophobicContact CG2-CD1 4.46Å; V138-T173 HydrophobicContact CB-CG2 4.46Å; V138-T173 HydrophobicContact CG1-CG2 4.27Å; V138-T173 HydrophobicContact CG2-CG2 3.53Å
139	R	98.7	Very high	98.5	Very high	40 Å²	40	35.5 Å²	35.5	15%	0.151	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.8	176.8	-70.1	179.6	178	-112	1	111.4	G112 A130 S131 W141 C148 R150 T151	G112-R139 PolarHBondContact O-NH2 3.31Å; A130-R139 CarbonylContact C-O 3.55Å; A130-R139 VanDerWaalsContact CA-O 3.27Å; A130-R139 WeakPolarHBondContact CA-O 3.37Å; S131-R139 PolarHBondContact N-O 3.25Å; S131-R139 PolarHBondContact O-N 2.94Å; R139-W141 HydrophobicContact CB-CH2 4.48Å; R139-W141 HydrophobicContact CB-CZ2 3.58Å; R139-W141 HydrophobicContact CG-CZ2 4.13Å; R139-C148 PolarHBondContact NH1-SG 3.1Å; R139-C148 VanDerWaalsContact NH1-SG 3.36Å; R139-R150 WeakPolarHBondContact CA-O 3.36Å; R139-R150 WeakPolarHBondContact CB-O 3.15Å; R139-T151 HydrophobicContact CG-CG2 4.38Å; R139-T151 PolarHBondContact NH1-OG1 3.14Å
140	V	98.6	Very high	98.4	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.3	174	-178.5	0	0	0	0	108.3	R128 I129 L149 R150 I171	R128-V140 HydrophobicContact CB-CG1 4.36Å; I129-V140 CarbonylContact O-C 3.56Å; I129-V140 WeakPolarHBondContact O-CA 3.33Å; V140-L149 WeakPolarHBondContact O-CA 3.22Å; V140-L149 WeakPolarHBondContact O-CB 3.41Å; V140-L149 PolarHBondContact O-N 3Å; V140-R150 HydrophobicContact CB-CB 4.26Å; V140-R150 PolarHBondContact N-O 3Å; V140-R150 VanDerWaalsContact N-O 3.1Å; V140-R150 PolarHBondContact O-N 3.02Å; V140-I171 HydrophobicContact CG2-CD1 3.92Å
141	W	98.7	Very high	98.4	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.4	-171	-46	85.8	0	0	0	110.6	L96 L110 S111 H113 R128 I129 S131 R139 T147 C148	L96-W141 HydrophobicContact CD1-CZ2 3.79Å; L110-W141 HydrophobicContact CB-CD2 4.05Å; L110-W141 HydrophobicContact CB-CE3 3.75Å; L110-W141 HydrophobicContact CB-CH2 4.32Å; L110-W141 HydrophobicContact CB-CZ3 3.89Å; L110-W141 HydrophobicContact CD1-CB 3.87Å; L110-W141 HydrophobicContact CD1-CD2 4.01Å; L110-W141 HydrophobicContact CD1-CE3 4.36Å; L110-W141 HydrophobicContact CD1-CG 3.77Å; L110-W141 HydrophobicContact CG-CE3 4.49Å; S111-W141 WeakPolarHBondContact O-CZ3 3.45Å; H113-W141 AromaticContact CD2-CZ2 3.89Å; R128-W141 VanDerWaalsContact CA-O 3.26Å; R128-W141 WeakPolarHBondContact CA-O 3.49Å; R128-W141 WeakPolarHBondContact CD-O 3.49Å; I129-W141 HydrophobicContact CB-CB 4.34Å; I129-W141 PolarHBondContact N-O 2.98Å; I129-W141 VanDerWaalsContact N-O 3.12Å; I129-W141 PolarHBondContact O-N 3.33Å; S131-W141 PolarHBondContact OG-NE1 3.07Å; R139-W141 HydrophobicContact CB-CH2 4.48Å; R139-W141 HydrophobicContact CB-CZ2 3.58Å; R139-W141 HydrophobicContact CG-CZ2 4.13Å; W141-T147 WeakPolarHBondContact CA-O 3.24Å; W141-C148 HydrophobicContact CD2-CB 4.5Å; W141-C148 HydrophobicContact CE3-CB 3.7Å; W141-C148 HydrophobicContact CH2-CB 4.34Å; W141-C148 HydrophobicContact CZ3-CB 3.61Å
142	D	98.5	Very high	98.3	Very high	16 Å²	16	42.1 Å²	42.1	9%	0.086	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.9	166.9	-175.1	-78.8	0	0	0	109.3	R128 R144 T145 G146 T147 L149	R128-D142 IonicContact CZ-OD2 2.8Å; R128-D142 IonicContact NH1-OD2 3.17Å; R128-D142 PolarHBondContact NH1-OD2 2.84Å; R128-D142 IonicContact NH2-OD2 3.48Å; D142-R144 VanDerWaalsContact C-N 3.3Å; D142-R144 PolarHBondContact O-N 3.33Å; D142-R144 WeakPolarHBondContact OD1-CA 3.38Å; D142-R144 WeakPolarHBondContact OD1-CB 3.5Å; D142-R144 PolarHBondContact OD1-N 3.17Å; D142-T145 WeakPolarHBondContact CB-OG1 3.44Å; D142-T145 PolarHBondContact OD1-N 3.38Å; D142-T145 PolarHBondContact OD1-OG1 3.37Å; D142-G146 VanDerWaalsContact O-CA 3.25Å; D142-G146 WeakPolarHBondContact O-CA 3.32Å; D142-G146 PolarHBondContact O-N 3.34Å; D142-T147 PolarHBondContact N-O 3.06Å; D142-L149 HydrophobicContact CB-CD1 3.94Å; D142-L149 HydrophobicContact CB-CD2 3.92Å; D142-L149 HydrophobicContact CB-CG 3.94Å
143	V	98.5	Very high	98.3	Very high	27 Å²	27	50.6 Å²	50.6	16%	0.164	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-37	-176.3	168.9	0	0	0	0	111.9	I98 F122 N127 I129	I98-V143 HydrophobicContact CD1-CG1 4.2Å; F122-V143 HydrophobicContact CD1-CG2 4.05Å; F122-V143 HydrophobicContact CE1-CG1 4.31Å; F122-V143 HydrophobicContact CE1-CG2 3.73Å; N127-V143 VanDerWaalsContact C-CG2 3.49Å; N127-V143 PolarHBondContact O-N 2.71Å; I129-V143 HydrophobicContact CD1-CG2 3.81Å; I129-V143 HydrophobicContact CG1-CG2 3.81Å
144	R	98	Very high	98.1	Very high	203 Å²	203	50.7 Å²	50.7	77%	0.766	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-48	-174	179.3	176.3	60.4	116.1	1	111.4	K108 D142	K108-R144 WeakPolarHBondContact CE-O 3.47Å; D142-R144 VanDerWaalsContact C-N 3.3Å; D142-R144 PolarHBondContact O-N 3.33Å; D142-R144 WeakPolarHBondContact OD1-CA 3.38Å; D142-R144 WeakPolarHBondContact OD1-CB 3.5Å; D142-R144 PolarHBondContact OD1-N 3.17Å
145	T	98	Very high	98.1	Very high	63 Å²	63	48.6 Å²	48.6	39%	0.387	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-32	-178.9	65.3	0	0	0	0	111.7	K108 D142 T147	K108-T145 PolarHBondContact NZ-O 2.74Å; D142-T145 WeakPolarHBondContact CB-OG1 3.44Å; D142-T145 PolarHBondContact OD1-N 3.38Å; D142-T145 PolarHBondContact OD1-OG1 3.37Å; T145-T147 VanDerWaalsContact C-N 3.34Å; T145-T147 PolarHBondContact OG1-N 3.27Å; T145-T147 PolarHBondContact OG1-OG1 2.92Å
146	G	98.2	Very high	98.1	Very high	15 Å²	15	51 Å²	51	16%	0.155	26%	0.258	C	S	.	.			trans	80	13.9	-169.9	0	0	0	0	0	113.4	L110 D142	L110-G146 VanDerWaalsContact CD2-CA 3.48Å; L110-G146 WeakPolarHBondContact CD2-O 3.33Å; D142-G146 VanDerWaalsContact O-CA 3.25Å; D142-G146 WeakPolarHBondContact O-CA 3.32Å; D142-G146 PolarHBondContact O-N 3.34Å
147	T	98.3	Very high	98.1	Very high	73 Å²	73	51.5 Å²	51.5	45%	0.448	26%	0.261	S	S	.	.			trans	-93.2	145.1	-176.7	58.7	0	0	0	0	112	W141 D142 T145 L149	W141-T147 WeakPolarHBondContact CA-O 3.24Å; D142-T147 PolarHBondContact N-O 3.06Å; T145-T147 VanDerWaalsContact C-N 3.34Å; T145-T147 PolarHBondContact OG1-N 3.27Å; T145-T147 PolarHBondContact OG1-OG1 2.92Å; T147-L149 PolarHBondContact O-N 2.86Å
148	C	98.3	Very high	98.1	Very high	45 Å²	45	52.3 Å²	52.3	30%	0.304	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	114.1	169.7	-163.7	0	0	0	0	109.6	R139 W141 R150	R139-C148 PolarHBondContact NH1-SG 3.1Å; R139-C148 VanDerWaalsContact NH1-SG 3.36Å; W141-C148 HydrophobicContact CD2-CB 4.5Å; W141-C148 HydrophobicContact CE3-CB 3.7Å; W141-C148 HydrophobicContact CH2-CB 4.34Å; W141-C148 HydrophobicContact CZ3-CB 3.61Å; C148-R150 PolarHBondContact SG-O 2.79Å
149	L	97.7	Very high	98.1	Very high	80 Å²	80	52.3 Å²	52.3	42%	0.419	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-45.3	173.5	-57.3	175.3	0	0	0	110.8	R128 V140 D142 T147	R128-L149 VanDerWaalsContact CD-CD1 3.46Å; V140-L149 WeakPolarHBondContact O-CA 3.22Å; V140-L149 WeakPolarHBondContact O-CB 3.41Å; V140-L149 PolarHBondContact O-N 3Å; D142-L149 HydrophobicContact CB-CD1 3.94Å; D142-L149 HydrophobicContact CB-CD2 3.92Å; D142-L149 HydrophobicContact CB-CG 3.94Å; T147-L149 PolarHBondContact O-N 2.86Å
150	R	96.8	Very high	98.1	Very high	71 Å²	71	50.4 Å²	50.4	27%	0.268	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.6	-176.9	-70.3	-171.5	-56.3	-92.3	-18.9	118.8	R139 V140 C148 S185 V186 C187	R139-R150 WeakPolarHBondContact CA-O 3.36Å; R139-R150 WeakPolarHBondContact CB-O 3.15Å; V140-R150 HydrophobicContact CB-CB 4.26Å; V140-R150 PolarHBondContact N-O 3Å; V140-R150 VanDerWaalsContact N-O 3.1Å; V140-R150 PolarHBondContact O-N 3.02Å; C148-R150 PolarHBondContact SG-O 2.79Å; R150-S185 PolarHBondContact NH2-O 3.07Å; R150-V186 PolarHBondContact NH1-O 3Å; R150-V186 PolarHBondContact NH2-O 3.37Å; R150-C187 PolarHBondContact NE-O 3.32Å; R150-C187 VanDerWaalsContact NH1-C 3.33Å; R150-C187 PolarHBondContact NH1-O 3.41Å
151	T	98.1	Very high	98.1	Very high	55 Å²	55	50.3 Å²	50.3	34%	0.337	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.2	150	-55.5	0	0	0	0	108.1	T137 R139	T137-T151 HydrophobicContact CG2-CG2 4.18Å; R139-T151 HydrophobicContact CG-CG2 4.38Å; R139-T151 PolarHBondContact NH1-OG1 3.14Å
152	I	98	Very high	98.1	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.062	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.1	-179.4	-56.5	172.4	0	0	0	106.5	T137 V138 A154 W183	T137-I152 WeakPolarHBondContact CA-O 3.44Å; V138-I152 HydrophobicContact CB-CB 4.22Å; V138-I152 HydrophobicContact CG1-CD1 4.38Å; V138-I152 PolarHBondContact N-O 3.21Å; V138-I152 PolarHBondContact O-N 3.45Å; I152-A154 HydrophobicContact CG2-CB 4.06Å; I152-A154 PolarHBondContact O-N 2.48Å; I152-W183 HydrophobicContact CG2-CD2 4.07Å; I152-W183 HydrophobicContact CG2-CE3 3.61Å; I152-W183 HydrophobicContact CG2-CH2 3.64Å; I152-W183 HydrophobicContact CG2-CZ2 4.07Å; I152-W183 HydrophobicContact CG2-CZ3 3.37Å
153	F	97.3	Very high	98.1	Very high	178 Å²	178	51.6 Å²	51.6	78%	0.781	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	82.9	171.3	-63	-84.8	0	0	0	107.6	T137	T137-F153 HydrophobicContact CG2-CD1 4.15Å; T137-F153 HydrophobicContact CG2-CE1 4.37Å
154	A	96.1	Very high	98.1	Very high	2 Å²	2	51 Å²	51	2%	0.017	26%	0.26	C	S	.	.			trans	-86.9	-39.1	-159.1	0	0	0	0	0	112.6	V138 I152 R181 W183	V138-A154 HydrophobicContact CB-CB 3.99Å; V138-A154 HydrophobicContact CG2-CB 3.52Å; I152-A154 HydrophobicContact CG2-CB 4.06Å; I152-A154 PolarHBondContact O-N 2.48Å; A154-R181 WeakPolarHBondContact O-CD 3.44Å; A154-R181 PolarHBondContact O-NE 3.18Å; A154-R181 PolarHBondContact O-NH1 3.35Å; A154-W183 HydrophobicContact CB-CH2 4.12Å; A154-W183 HydrophobicContact CB-CZ2 3.57Å
155	H	98.4	Very high	98.1	Very high	15 Å²	15	41.4 Å²	41.4	7%	0.069	23%	0.225	C	C	.	.			trans	-138.7	170.4	-172.5	-68.1	-86	0	0	0	110.9	E136 E157 T173 S175 D177 L179 R181	E136-H155 PolarHBondContact O-N 3.09Å; H155-E157 WeakPolarHBondContact CB-O 3.39Å; H155-T173 WeakPolarHBondContact NE2-CB 3.47Å; H155-T173 PolarHBondContact NE2-OG1 2.99Å; H155-S175 WeakPolarHBondContact ND1-CB 3.25Å; H155-D177 WeakPolarHBondContact CA-OD2 3.32Å; H155-D177 WeakPolarHBondContact CB-OD2 3.4Å; H155-D177 IonicContact CE1-OD1 3.46Å; H155-D177 IonicContact CG-OD2 3.43Å; H155-D177 VanDerWaalsContact ND1-CG 3.33Å; H155-D177 IonicContact ND1-OD1 3.31Å; H155-D177 PolarHBondContact ND1-OD1 2.76Å; H155-D177 IonicContact ND1-OD2 2.78Å; H155-D177 PolarHBondContact ND1-OD2 3.45Å; H155-L179 PolarHBondContact CE1-O 2.9Å; H155-R181 PolarHBondContact CE1-NH1 3.49Å; H155-R181 PolarHBondContact ND1-NH1 3.16Å
156	S	98.1	Very high	98	Very high	73 Å²	73	41.4 Å²	41.4	51%	0.51	23%	0.226	S	C	.	.	S	Bend	trans	-106.5	7.9	174.1	60.3	0	0	0	0	113.2	D177	S156-D177 PolarHBondContact N-OD2 2.61Å
157	E	98.4	Very high	98	Very high	94 Å²	94	45.5 Å²	45.5	44%	0.439	24%	0.244	S	C	.	.	S	Bend	trans	-148.8	164.4	179.5	-73	-65	150.1	0	0	107.6	H155 V159 S175 D177	H155-E157 WeakPolarHBondContact CB-O 3.39Å; E157-V159 PolarHBondContact O-N 2.97Å; E157-S175 VanDerWaalsContact C-OG 3.24Å; E157-S175 WeakPolarHBondContact CB-OG 3.48Å; E157-S175 PolarHBondContact O-OG 2.83Å; E157-D177 HydrophobicContact CB-CB 3.98Å; E157-D177 HydrophobicContact CG-CB 4.09Å
158	P	98.5	Very high	97.9	Very high	30 Å²	30	42.3 Å²	42.3	20%	0.195	23%	0.226	C	C	.	.			trans	-48.8	136.5	-176.3	-32.6	37.9	0	0	0	114.8	L134 S160 S175 Y176	L134-P158 HydrophobicContact CD1-CB 4.3Å; L134-P158 HydrophobicContact CG-CB 3.99Å; L134-P158 HydrophobicContact CG-CG 4.2Å; P158-S160 PolarHBondContact O-N 3Å; P158-S175 WeakPolarHBondContact O-CA 3.32Å; P158-S175 WeakPolarHBondContact O-CB 3.4Å; P158-S175 PolarHBondContact O-OG 3.4Å; P158-Y176 HydrophobicContact CB-CD2 4.13Å; P158-Y176 PolarHBondContact O-N 2.86Å
159	V	98.8	Very high	97.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	112.3	176.7	-173.3	0	0	0	0	109.2	S133 V138 E157 C174	S133-V159 PolarHBondContact O-N 3.03Å; S133-V159 VanDerWaalsContact O-N 3.11Å; V138-V159 HydrophobicContact CG2-CG1 4.13Å; V138-V159 HydrophobicContact CG2-CG2 4.13Å; E157-V159 PolarHBondContact O-N 2.97Å; V159-C174 CarbonylContact C-O 3.51Å; V159-C174 WeakPolarHBondContact CA-O 3.47Å; V159-C174 WeakPolarHBondContact CG1-O 3.04Å
160	S	98.6	Very high	97.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-15.1	-172.7	55.7	0	0	0	0	113.7	F118 P158 C174 S175 I202	F118-S160 VanDerWaalsContact CE1-O 3.28Å; F118-S160 WeakPolarHBondContact CE1-O 3.44Å; P158-S160 PolarHBondContact O-N 3Å; S160-C174 PolarHBondContact N-O 2.84Å; S160-C174 VanDerWaalsContact OG-C 3.32Å; S160-C174 PolarHBondContact OG-O 3.18Å; S160-C174 PolarHBondContact OG-SG 2.88Å; S160-S175 WeakPolarHBondContact OG-CA 3.26Å; S160-S175 PolarHBondContact OG-N 2.96Å; S160-I202 WeakPolarHBondContact CB-O 3.37Å; S160-I202 PolarHBondContact OG-O 3.43Å
161	G	98.5	Very high	97.9	Very high	1 Å²	1	37 Å²	37	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	151.8	178.5	0	0	0	0	0	112.5	T173 C174 V205	G161-T173 WeakPolarHBondContact O-CA 3.19Å; G161-C174 VanDerWaalsContact CA-SG 3.52Å; G161-C174 PolarHBondContact N-O 2.87Å; G161-C174 PolarHBondContact N-SG 2.99Å; G161-C174 PolarHBondContact O-N 3.01Å; G161-V205 VanDerWaalsContact C-CG1 3.47Å
162	I	98.8	Very high	98	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.062	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	140.7	178.7	-165.3	165.9	0	0	0	110.5	C119 T121 A130 V138 I171 S172 T173	C119-I162 HydrophobicContact CB-CG2 3.73Å; C119-I162 VanDerWaalsContact SG-CG2 3.51Å; T121-I162 HydrophobicContact CG2-CG1 4.41Å; T121-I162 HydrophobicContact CG2-CG2 4.25Å; A130-I162 HydrophobicContact CB-CD1 3.53Å; A130-I162 HydrophobicContact CB-CG1 4.3Å; V138-I162 HydrophobicContact CG1-CD1 3.7Å; V138-I162 HydrophobicContact CG2-CD1 4.46Å; I162-I171 HydrophobicContact CD1-CG2 4Å; I162-I171 HydrophobicContact CG1-CG2 3.73Å; I162-S172 CarbonylContact C-O 3.6Å; I162-S172 VanDerWaalsContact CA-O 3.32Å; I162-S172 WeakPolarHBondContact CA-O 3.39Å; I162-T173 HydrophobicContact CD1-CG2 4.08Å; I162-T173 HydrophobicContact CG1-CG2 3.92Å
163	D	98.5	Very high	98	Very high	34 Å²	34	33.8 Å²	33.8	18%	0.182	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	154	175.7	-160.7	8.6	0	0	0	111	I171 S172 S206 F207	D163-I171 CarbonylContact O-C 3.53Å; D163-I171 WeakPolarHBondContact O-CA 3.25Å; D163-S172 PolarHBondContact N-O 2.64Å; D163-S172 PolarHBondContact O-N 3.19Å; D163-S206 WeakPolarHBondContact OD2-CA 3.18Å; D163-S206 PolarHBondContact OD2-OG 3.46Å; D163-F207 HydrophobicContact CB-CD2 3.95Å; D163-F207 WeakPolarHBondContact O-CE2 3.15Å; D163-F207 PolarHBondContact OD2-N 2.95Å
164	Y	98.4	Very high	98.1	Very high	13 Å²	13	25.3 Å²	25.3	5%	0.051	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	145.4	172.4	-93.2	-77.9	0	0	0	109.8	T121 F122 N123 A130 L170 I171 F207	T121-Y164 HydrophobicContact CG2-CD2 3.47Å; T121-Y164 VanDerWaalsContact CG2-CD2 3.47Å; T121-Y164 HydrophobicContact CG2-CE2 4.06Å; T121-Y164 HydrophobicContact CG2-CG 4.41Å; F122-Y164 VanDerWaalsContact C-CD2 3.43Å; F122-Y164 VanDerWaalsContact O-CD2 3.28Å; F122-Y164 WeakPolarHBondContact O-CD2 3.36Å; N123-Y164 HydrophobicContact CB-CD1 3.88Å; N123-Y164 HydrophobicContact CB-CD2 3.92Å; N123-Y164 HydrophobicContact CB-CE1 3.73Å; N123-Y164 HydrophobicContact CB-CE2 3.8Å; N123-Y164 HydrophobicContact CB-CG 3.98Å; A130-Y164 HydrophobicContact CB-CD2 4.37Å; A130-Y164 HydrophobicContact CB-CE2 3.52Å; Y164-L170 WeakPolarHBondContact CD1-O 3.29Å; Y164-I171 HydrophobicContact CD1-CG1 3.68Å; Y164-I171 HydrophobicContact CE1-CD1 3.73Å; Y164-I171 HydrophobicContact CE1-CG1 3.35Å; Y164-I171 HydrophobicContact CE2-CG1 4.5Å; Y164-I171 HydrophobicContact CG-CG1 4.38Å; Y164-F207 VanDerWaalsContact C-CE2 3.47Å; Y164-F207 VanDerWaalsContact O-CD2 3.24Å; Y164-F207 WeakPolarHBondContact O-CD2 3.5Å
165	S	98.1	Very high	98.2	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	15%	0.146	C	C	.	.			trans	-63.9	153.1	168.3	61.6	0	0	0	0	110.3	N167 G168 S169 L170 F207	S165-N167 WeakPolarHBondContact CB-OD1 3.17Å; S165-N167 PolarHBondContact O-N 2.99Å; S165-N167 PolarHBondContact OG-OD1 3.39Å; S165-G168 WeakPolarHBondContact O-CA 3.28Å; S165-G168 PolarHBondContact O-N 2.9Å; S165-S169 PolarHBondContact OG-N 3.26Å; S165-L170 PolarHBondContact N-O 2.96Å; S165-L170 PolarHBondContact OG-N 2.87Å; S165-L170 PolarHBondContact OG-O 3.45Å; S165-F207 VanDerWaalsContact N-CE2 3.27Å
166	P	96.8	Very high	98.1	Very high	63 Å²	63	28.3 Å²	28.3	41%	0.409	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.1	-177.7	-28.3	34.9	0	0	0	115.3	P124 P209	P124-P166 WeakPolarHBondContact CG-O 3.43Å; P166-P209 VanDerWaalsContact CG-O 3.29Å; P166-P209 WeakPolarHBondContact CG-O 3.39Å
167	N	96.8	Very high	98.1	Very high	102 Å²	102	25.6 Å²	25.6	55%	0.545	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-7.5	175.2	64.8	-0.1	0	0	0	113.6	Q125 S165 S169	Q125-N167 PolarHBondContact NE2-O 2.64Å; S165-N167 WeakPolarHBondContact CB-OD1 3.17Å; S165-N167 PolarHBondContact O-N 2.99Å; S165-N167 PolarHBondContact OG-OD1 3.39Å; N167-S169 VanDerWaalsContact C-N 3.3Å; N167-S169 PolarHBondContact ND2-OG 2.79Å; N167-S169 PolarHBondContact O-N 2.75Å; N167-S169 PolarHBondContact OD1-N 2.95Å; N167-S169 VanDerWaalsContact OD1-N 3.09Å; N167-S169 PolarHBondContact OD1-OG 2.97Å
168	G	97.2	Very high	98	Very high	6 Å²	6	21.2 Å²	21.2	6%	0.062	12%	0.118	C	C	.	.	S	Bend	trans	80.3	0.6	179.3	0	0	0	0	0	115.2	P124 S165 S185	P124-G168 VanDerWaalsContact CD-CA 3.47Å; S165-G168 WeakPolarHBondContact O-CA 3.28Å; S165-G168 PolarHBondContact O-N 2.9Å; G168-S185 WeakPolarHBondContact O-CB 3.43Å; G168-S185 PolarHBondContact O-OG 3.44Å
169	S	97	Very high	98	Very high	48 Å²	48	21 Å²	21	34%	0.336	12%	0.116	S	C	.	.	S	Bend	trans	-75.4	-28	-175.4	67	0	0	0	0	113.2	S165 N167 S185	S165-S169 PolarHBondContact OG-N 3.26Å; N167-S169 VanDerWaalsContact C-N 3.3Å; N167-S169 PolarHBondContact ND2-OG 2.79Å; N167-S169 PolarHBondContact O-N 2.75Å; N167-S169 PolarHBondContact OD1-N 2.95Å; N167-S169 VanDerWaalsContact OD1-N 3.09Å; N167-S169 PolarHBondContact OD1-OG 2.97Å; S169-S185 VanDerWaalsContact C-OG 3.26Å; S169-S185 VanDerWaalsContact O-CB 3.31Å; S169-S185 WeakPolarHBondContact O-CB 3.37Å; S169-S185 PolarHBondContact O-N 2.97Å; S169-S185 PolarHBondContact O-OG 2.86Å
170	L	98	Very high	98	Very high	34 Å²	34	21.1 Å²	21.1	18%	0.178	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	155.3	-177.1	-57.6	173.7	0	0	0	111.7	Y164 S165 I182 W183 V191 F207	Y164-L170 WeakPolarHBondContact CD1-O 3.29Å; S165-L170 PolarHBondContact N-O 2.96Å; S165-L170 PolarHBondContact OG-N 2.87Å; S165-L170 PolarHBondContact OG-O 3.45Å; L170-I182 HydrophobicContact CB-CG2 4.13Å; L170-I182 HydrophobicContact CD1-CG2 3.91Å; L170-I182 HydrophobicContact CD2-CG2 4.21Å; L170-I182 HydrophobicContact CG-CG2 4.3Å; L170-W183 CarbonylContact C-O 3.5Å; L170-W183 WeakPolarHBondContact CA-O 3.2Å; L170-V191 HydrophobicContact CD2-CG2 4.23Å; L170-F207 HydrophobicContact CB-CZ 4.06Å
171	I	98.5	Very high	98	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133	168.3	-59.5	168.6	0	0	0	107.4	A130 V140 I162 D163 Y164 T173 I182 W183	A130-I171 HydrophobicContact CB-CD1 4.05Å; V140-I171 HydrophobicContact CG2-CD1 3.92Å; I162-I171 HydrophobicContact CD1-CG2 4Å; I162-I171 HydrophobicContact CG1-CG2 3.73Å; D163-I171 CarbonylContact O-C 3.53Å; D163-I171 WeakPolarHBondContact O-CA 3.25Å; Y164-I171 HydrophobicContact CD1-CG1 3.68Å; Y164-I171 HydrophobicContact CE1-CD1 3.73Å; Y164-I171 HydrophobicContact CE1-CG1 3.35Å; Y164-I171 HydrophobicContact CE2-CG1 4.5Å; Y164-I171 HydrophobicContact CG-CG1 4.38Å; I171-T173 HydrophobicContact CG2-CG2 4Å; I171-I182 CarbonylContact O-C 3.59Å; I171-I182 WeakPolarHBondContact O-CA 3.34Å; I171-W183 HydrophobicContact CB-CB 4.36Å; I171-W183 PolarHBondContact N-O 2.7Å; I171-W183 PolarHBondContact O-N 2.92Å
172	S	98.5	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.2	169.2	62	0	0	0	0	109.2	I162 D163 R181 F207	I162-S172 CarbonylContact C-O 3.6Å; I162-S172 VanDerWaalsContact CA-O 3.32Å; I162-S172 WeakPolarHBondContact CA-O 3.39Å; D163-S172 PolarHBondContact N-O 2.64Å; D163-S172 PolarHBondContact O-N 3.19Å; S172-R181 CarbonylContact C-O 3.56Å; S172-R181 WeakPolarHBondContact CA-O 3.43Å; S172-F207 VanDerWaalsContact N-CE2 3.32Å; S172-F207 WeakPolarHBondContact OG-CD2 3.42Å; S172-F207 WeakPolarHBondContact OG-CE2 3.36Å
173	T	98.7	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.9	176.1	63.3	0	0	0	0	109.8	V138 H155 G161 I162 I171 V180 R181 W183	V138-T173 HydrophobicContact CB-CG2 4.46Å; V138-T173 HydrophobicContact CG1-CG2 4.27Å; V138-T173 HydrophobicContact CG2-CG2 3.53Å; H155-T173 WeakPolarHBondContact NE2-CB 3.47Å; H155-T173 PolarHBondContact NE2-OG1 2.99Å; G161-T173 WeakPolarHBondContact O-CA 3.19Å; I162-T173 HydrophobicContact CD1-CG2 4.08Å; I162-T173 HydrophobicContact CG1-CG2 3.92Å; I171-T173 HydrophobicContact CG2-CG2 4Å; T173-V180 CarbonylContact O-C 3.55Å; T173-V180 VanDerWaalsContact O-CA 3.26Å; T173-V180 WeakPolarHBondContact O-CA 3.21Å; T173-R181 PolarHBondContact N-O 3.12Å; T173-R181 PolarHBondContact O-N 3.08Å; T173-W183 PolarHBondContact OG1-NE1 2.91Å
174	C	98.6	Very high	97.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	162.1	171.7	67.9	0	0	0	0	111.8	V159 S160 G161 L179 V180 I202 V205	V159-C174 CarbonylContact C-O 3.51Å; V159-C174 WeakPolarHBondContact CA-O 3.47Å; V159-C174 WeakPolarHBondContact CG1-O 3.04Å; S160-C174 PolarHBondContact N-O 2.84Å; S160-C174 VanDerWaalsContact OG-C 3.32Å; S160-C174 PolarHBondContact OG-O 3.18Å; S160-C174 PolarHBondContact OG-SG 2.88Å; G161-C174 VanDerWaalsContact CA-SG 3.52Å; G161-C174 PolarHBondContact N-O 2.87Å; G161-C174 PolarHBondContact N-SG 2.99Å; G161-C174 PolarHBondContact O-N 3.01Å; C174-L179 WeakPolarHBondContact CA-O 3.45Å; C174-V180 HydrophobicContact CB-CG2 4.03Å; C174-I202 HydrophobicContact CB-CB 3.86Å; C174-I202 HydrophobicContact CB-CG2 3.44Å; C174-I202 VanDerWaalsContact CB-CG2 3.44Å; C174-V205 HydrophobicContact CB-CB 3.92Å; C174-V205 HydrophobicContact CB-CG1 4.2Å
175	S	98.6	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	165.8	-176.6	168.4	0	0	0	0	112.1	H155 E157 P158 S160 D177 G178 L179 I202	H155-S175 WeakPolarHBondContact ND1-CB 3.25Å; E157-S175 VanDerWaalsContact C-OG 3.24Å; E157-S175 WeakPolarHBondContact CB-OG 3.48Å; E157-S175 PolarHBondContact O-OG 2.83Å; P158-S175 WeakPolarHBondContact O-CA 3.32Å; P158-S175 WeakPolarHBondContact O-CB 3.4Å; P158-S175 PolarHBondContact O-OG 3.4Å; S160-S175 WeakPolarHBondContact OG-CA 3.26Å; S160-S175 PolarHBondContact OG-N 2.96Å; S175-D177 VanDerWaalsContact CB-OD1 3.31Å; S175-D177 WeakPolarHBondContact CB-OD1 3.3Å; S175-D177 PolarHBondContact O-N 3.04Å; S175-D177 PolarHBondContact OG-N 2.74Å; S175-D177 VanDerWaalsContact OG-N 3.08Å; S175-G178 PolarHBondContact O-N 3.26Å; S175-G178 VanDerWaalsContact O-N 3.11Å; S175-L179 PolarHBondContact N-O 3.02Å; S175-I202 CarbonylContact C-O 3.59Å; S175-I202 PolarHBondContact O-N 2.96Å; S175-I202 VanDerWaalsContact O-N 3.11Å
176	Y	97.3	Very high	97.6	Very high	81 Å²	81	29.8 Å²	29.8	32%	0.318	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-10.9	166.9	-70.4	-90.3	0	0	0	113.5	P158 G178 P201 L219 C246	P158-Y176 HydrophobicContact CB-CD2 4.13Å; P158-Y176 PolarHBondContact O-N 2.86Å; Y176-G178 PolarHBondContact O-N 3.23Å; Y176-P201 HydrophobicContact CD1-CB 3.79Å; Y176-P201 HydrophobicContact CG-CB 4.49Å; Y176-L219 HydrophobicContact CD1-CD1 4.29Å; Y176-L219 HydrophobicContact CE1-CD1 3.75Å; Y176-C246 PolarHBondContact OH-SG 2.63Å
177	D	97.7	Very high	97.5	Very high	15 Å²	15	29.4 Å²	29.4	8%	0.08	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-3.2	168.6	74.7	0.2	0	0	0	113.4	H155 S156 E157 S175 L179 R181 N199	H155-D177 WeakPolarHBondContact CA-OD2 3.32Å; H155-D177 WeakPolarHBondContact CB-OD2 3.4Å; H155-D177 IonicContact CE1-OD1 3.46Å; H155-D177 IonicContact CG-OD2 3.43Å; H155-D177 VanDerWaalsContact ND1-CG 3.33Å; H155-D177 IonicContact ND1-OD1 3.31Å; H155-D177 PolarHBondContact ND1-OD1 2.76Å; H155-D177 IonicContact ND1-OD2 2.78Å; H155-D177 PolarHBondContact ND1-OD2 3.45Å; S156-D177 PolarHBondContact N-OD2 2.61Å; E157-D177 HydrophobicContact CB-CB 3.98Å; E157-D177 HydrophobicContact CG-CB 4.09Å; S175-D177 VanDerWaalsContact CB-OD1 3.31Å; S175-D177 WeakPolarHBondContact CB-OD1 3.3Å; S175-D177 PolarHBondContact O-N 3.04Å; S175-D177 PolarHBondContact OG-N 2.74Å; S175-D177 VanDerWaalsContact OG-N 3.08Å; D177-L179 VanDerWaalsContact C-N 3.33Å; D177-L179 VanDerWaalsContact OD1-CB 3.29Å; D177-L179 WeakPolarHBondContact OD1-CB 3.32Å; D177-L179 PolarHBondContact OD1-N 2.88Å; D177-R181 IonicContact OD2-CZ 3.87Å; D177-R181 IonicContact OD2-NH1 3.96Å; D177-R181 PolarHBondContact OD2-NH1 2.92Å; D177-N199 PolarHBondContact O-ND2 3.32Å
178	G	97.1	Very high	97.5	Very high	3 Å²	3	25.1 Å²	25.1	3%	0.031	14%	0.142	C	C	.	.	S	Bend	trans	84.9	1.7	176.3	0	0	0	0	0	114.5	S175 Y176 N199 P200 I202	S175-G178 PolarHBondContact O-N 3.26Å; S175-G178 VanDerWaalsContact O-N 3.11Å; Y176-G178 PolarHBondContact O-N 3.23Å; G178-N199 WeakPolarHBondContact CA-OD1 3.25Å; G178-N199 PolarHBondContact O-OD1 2.75Å; G178-P200 VanDerWaalsContact CA-O 3.26Å; G178-P200 WeakPolarHBondContact CA-O 3.45Å; G178-I202 VanDerWaalsContact O-CG1 3.31Å; G178-I202 WeakPolarHBondContact O-CG1 3.26Å
179	L	97.8	Very high	97.5	Very high	26 Å²	26	31.5 Å²	31.5	14%	0.136	17%	0.17	C	C	.	.			trans	-103.4	143.3	-172.8	-54	175.3	0	0	0	111.9	H155 C174 S175 D177 R181 T193 V195 N199	H155-L179 PolarHBondContact CE1-O 2.9Å; C174-L179 WeakPolarHBondContact CA-O 3.45Å; S175-L179 PolarHBondContact N-O 3.02Å; D177-L179 VanDerWaalsContact C-N 3.33Å; D177-L179 VanDerWaalsContact OD1-CB 3.29Å; D177-L179 WeakPolarHBondContact OD1-CB 3.32Å; D177-L179 PolarHBondContact OD1-N 2.88Å; L179-R181 VanDerWaalsContact CD1-CZ 3.43Å; L179-T193 HydrophobicContact CB-CG2 4.29Å; L179-T193 HydrophobicContact CD1-CG2 4.29Å; L179-T193 HydrophobicContact CD2-CG2 4.07Å; L179-T193 HydrophobicContact CG-CG2 4.46Å; L179-V195 HydrophobicContact CD2-CB 3.77Å; L179-V195 HydrophobicContact CD2-CG2 3.6Å; L179-N199 WeakPolarHBondContact CD2-OD1 3.41Å
180	V	98.4	Very high	97.5	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.2	159.3	179.1	0	0	0	0	108	T173 C174 I182 L194 I202 V205 V214	T173-V180 CarbonylContact O-C 3.55Å; T173-V180 VanDerWaalsContact O-CA 3.26Å; T173-V180 WeakPolarHBondContact O-CA 3.21Å; C174-V180 HydrophobicContact CB-CG2 4.03Å; V180-I182 HydrophobicContact CG1-CD1 4.4Å; V180-L194 HydrophobicContact CB-CB 4.15Å; V180-L194 HydrophobicContact CB-CD1 4.31Å; V180-L194 HydrophobicContact CG1-CD1 4.07Å; V180-L194 PolarHBondContact N-O 2.91Å; V180-L194 VanDerWaalsContact N-O 3.07Å; V180-L194 PolarHBondContact O-N 3.14Å; V180-I202 HydrophobicContact CG2-CG1 4.22Å; V180-I202 HydrophobicContact CG2-CG2 3.98Å; V180-V205 HydrophobicContact CG1-CG2 3.94Å; V180-V214 HydrophobicContact CG1-CG1 4.13Å
181	R	98.5	Very high	97.4	Very high	48 Å²	48	34 Å²	34	18%	0.181	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.8	177.7	-70.7	-179.4	175.4	101.8	-4.4	110.8	A154 H155 S172 T173 D177 L179 W183 K192 T193	A154-R181 WeakPolarHBondContact O-CD 3.44Å; A154-R181 PolarHBondContact O-NE 3.18Å; A154-R181 PolarHBondContact O-NH1 3.35Å; H155-R181 PolarHBondContact CE1-NH1 3.49Å; H155-R181 PolarHBondContact ND1-NH1 3.16Å; S172-R181 CarbonylContact C-O 3.56Å; S172-R181 WeakPolarHBondContact CA-O 3.43Å; T173-R181 PolarHBondContact N-O 3.12Å; T173-R181 PolarHBondContact O-N 3.08Å; D177-R181 IonicContact OD2-CZ 3.87Å; D177-R181 IonicContact OD2-NH1 3.96Å; D177-R181 PolarHBondContact OD2-NH1 2.92Å; L179-R181 VanDerWaalsContact CD1-CZ 3.43Å; R181-W183 HydrophobicContact CB-CZ2 3.61Å; R181-W183 HydrophobicContact CG-CZ2 4.13Å; R181-K192 CarbonylContact C-O 3.59Å; R181-K192 WeakPolarHBondContact CA-O 3.25Å; R181-T193 HydrophobicContact CG-CG2 4.1Å
182	I	98.3	Very high	97.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.9	178	-51.3	-60.1	0	0	0	107.9	L170 I171 V180 V191 K192 F207 V214 I228	L170-I182 HydrophobicContact CB-CG2 4.13Å; L170-I182 HydrophobicContact CD1-CG2 3.91Å; L170-I182 HydrophobicContact CD2-CG2 4.21Å; L170-I182 HydrophobicContact CG-CG2 4.3Å; I171-I182 CarbonylContact O-C 3.59Å; I171-I182 WeakPolarHBondContact O-CA 3.34Å; V180-I182 HydrophobicContact CG1-CD1 4.4Å; I182-V191 PolarHBondContact O-N 2.84Å; I182-K192 HydrophobicContact CB-CB 4.12Å; I182-K192 HydrophobicContact CG1-CB 4.21Å; I182-K192 PolarHBondContact N-O 3.32Å; I182-K192 PolarHBondContact O-N 2.82Å; I182-F207 HydrophobicContact CD1-CZ 4.49Å; I182-V214 HydrophobicContact CD1-CG2 4.03Å; I182-I228 HydrophobicContact CG1-CG2 4.26Å; I182-I228 HydrophobicContact CG2-CG2 4.3Å
183	W	98.3	Very high	97.3	Very high	16 Å²	16	41.2 Å²	41.2	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143	-173.3	-49.3	88	0	0	0	110.5	I152 A154 L170 I171 T173 R181 S185 Q189 C190	I152-W183 HydrophobicContact CG2-CD2 4.07Å; I152-W183 HydrophobicContact CG2-CE3 3.61Å; I152-W183 HydrophobicContact CG2-CH2 3.64Å; I152-W183 HydrophobicContact CG2-CZ2 4.07Å; I152-W183 HydrophobicContact CG2-CZ3 3.37Å; A154-W183 HydrophobicContact CB-CH2 4.12Å; A154-W183 HydrophobicContact CB-CZ2 3.57Å; L170-W183 CarbonylContact C-O 3.5Å; L170-W183 WeakPolarHBondContact CA-O 3.2Å; I171-W183 HydrophobicContact CB-CB 4.36Å; I171-W183 PolarHBondContact N-O 2.7Å; I171-W183 PolarHBondContact O-N 2.92Å; T173-W183 PolarHBondContact OG1-NE1 2.91Å; R181-W183 HydrophobicContact CB-CZ2 3.61Å; R181-W183 HydrophobicContact CG-CZ2 4.13Å; W183-S185 PolarHBondContact O-N 2.87Å; W183-Q189 CarbonylContact C-O 3.53Å; W183-Q189 WeakPolarHBondContact CA-O 3.47Å; W183-C190 HydrophobicContact CD2-CB 4.49Å; W183-C190 HydrophobicContact CE3-CB 3.75Å; W183-C190 HydrophobicContact CH2-CB 4.12Å; W183-C190 HydrophobicContact CZ3-CB 3.54Å
184	D	97.7	Very high	97.2	Very high	51 Å²	51	41.3 Å²	41.3	27%	0.273	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	122.8	163.4	-178.2	-72.2	0	0	0	109	V186 C187 G188 Q189 V191	D184-V186 PolarHBondContact O-N 2.91Å; D184-V186 WeakPolarHBondContact OD1-CA 3.35Å; D184-V186 WeakPolarHBondContact OD1-CB 3.44Å; D184-V186 PolarHBondContact OD1-N 2.8Å; D184-C187 WeakPolarHBondContact CB-SG 3.37Å; D184-C187 VanDerWaalsContact CG-SG 3.51Å; D184-C187 PolarHBondContact OD1-N 3.34Å; D184-C187 PolarHBondContact OD1-SG 2.78Å; D184-G188 WeakPolarHBondContact O-CA 3.46Å; D184-G188 PolarHBondContact O-N 2.92Å; D184-Q189 PolarHBondContact N-O 2.9Å; D184-V191 HydrophobicContact CB-CG2 4.07Å
185	S	96.6	Very high	96.9	Very high	19 Å²	19	45.3 Å²	45.3	13%	0.133	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.9	-176.2	63	0	0	0	0	113.6	R150 G168 S169 W183	R150-S185 PolarHBondContact NH2-O 3.07Å; G168-S185 WeakPolarHBondContact O-CB 3.43Å; G168-S185 PolarHBondContact O-OG 3.44Å; S169-S185 VanDerWaalsContact C-OG 3.26Å; S169-S185 VanDerWaalsContact O-CB 3.31Å; S169-S185 WeakPolarHBondContact O-CB 3.37Å; S169-S185 PolarHBondContact O-N 2.97Å; S169-S185 PolarHBondContact O-OG 2.86Å; W183-S185 PolarHBondContact O-N 2.87Å
186	V	93.6	Very high	96.4	Very high	112 Å²	112	47.5 Å²	47.5	68%	0.679	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-33	-170.6	-177.8	0	0	0	0	112.8	R150 D184	R150-V186 PolarHBondContact NH1-O 3Å; R150-V186 PolarHBondContact NH2-O 3.37Å; D184-V186 PolarHBondContact O-N 2.91Å; D184-V186 WeakPolarHBondContact OD1-CA 3.35Å; D184-V186 WeakPolarHBondContact OD1-CB 3.44Å; D184-V186 PolarHBondContact OD1-N 2.8Å
187	C	94.7	Very high	95.8	Very high	54 Å²	54	52.5 Å²	52.5	37%	0.365	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-20.5	174.9	73	0	0	0	0	113.5	R150 D184 Q189	R150-C187 PolarHBondContact NE-O 3.32Å; R150-C187 VanDerWaalsContact NH1-C 3.33Å; R150-C187 PolarHBondContact NH1-O 3.41Å; D184-C187 WeakPolarHBondContact CB-SG 3.37Å; D184-C187 VanDerWaalsContact CG-SG 3.51Å; D184-C187 PolarHBondContact OD1-N 3.34Å; D184-C187 PolarHBondContact OD1-SG 2.78Å; C187-Q189 VanDerWaalsContact C-N 3.31Å; C187-Q189 HydrophobicContact CB-CG 4.48Å; C187-Q189 VanDerWaalsContact SG-CB 3.58Å; C187-Q189 VanDerWaalsContact SG-CG 3.54Å
188	G	95.4	Very high	95.4	Very high	13 Å²	13	57.6 Å²	57.6	13%	0.134	31%	0.313	C	S	.	.			trans	77.5	13.1	-178.6	0	0	0	0	0	114.1	D184	D184-G188 WeakPolarHBondContact O-CA 3.46Å; D184-G188 PolarHBondContact O-N 2.92Å
189	Q	97.4	Very high	95.1	Very high	140 Å²	140	60.4 Å²	60.4	65%	0.654	33%	0.327	S	S	*	.			trans	-77	141.6	176	-69.2	-179.7	-28	0	0	110.8	W183 D184 C187 V191	W183-Q189 CarbonylContact C-O 3.53Å; W183-Q189 WeakPolarHBondContact CA-O 3.47Å; D184-Q189 PolarHBondContact N-O 2.9Å; C187-Q189 VanDerWaalsContact C-N 3.31Å; C187-Q189 HydrophobicContact CB-CG 4.48Å; C187-Q189 VanDerWaalsContact SG-CB 3.58Å; C187-Q189 VanDerWaalsContact SG-CG 3.54Å; Q189-V191 PolarHBondContact O-N 3.28Å
190	C	97.7	Very high	94.9	Very high	57 Å²	57	59.5 Å²	59.5	39%	0.385	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	115.6	170.7	-171.9	0	0	0	0	109.2	W183 K192	W183-C190 HydrophobicContact CD2-CB 4.49Å; W183-C190 HydrophobicContact CE3-CB 3.75Å; W183-C190 HydrophobicContact CH2-CB 4.12Å; W183-C190 HydrophobicContact CZ3-CB 3.54Å; C190-K192 PolarHBondContact SG-O 3.19Å
191	V	96.9	Very high	94.9	Very high	78 Å²	78	61.7 Å²	61.7	47%	0.473	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-38.5	176.6	179.8	0	0	0	0	110.2	L170 I182 D184 Q189	L170-V191 HydrophobicContact CD2-CG2 4.23Å; I182-V191 PolarHBondContact O-N 2.84Å; D184-V191 HydrophobicContact CB-CG2 4.07Å; Q189-V191 PolarHBondContact O-N 3.28Å
192	K	96.8	Very high	94.9	Very high	90 Å²	90	59.7 Å²	59.7	39%	0.391	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	144.7	-177.5	-156.1	82.1	-65.9	-175.7	0	112.3	R181 I182 C190 L194	R181-K192 CarbonylContact C-O 3.59Å; R181-K192 WeakPolarHBondContact CA-O 3.25Å; I182-K192 HydrophobicContact CB-CB 4.12Å; I182-K192 HydrophobicContact CG1-CB 4.21Å; I182-K192 PolarHBondContact N-O 3.32Å; I182-K192 PolarHBondContact O-N 2.82Å; C190-K192 PolarHBondContact SG-O 3.19Å; K192-L194 HydrophobicContact CG-CD2 3.86Å
193	T	97.2	Very high	94.8	Very high	61 Å²	61	59.7 Å²	59.7	37%	0.374	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.5	165.9	-54.7	0	0	0	0	107.3	L179 R181	L179-T193 HydrophobicContact CB-CG2 4.29Å; L179-T193 HydrophobicContact CD1-CG2 4.29Å; L179-T193 HydrophobicContact CD2-CG2 4.07Å; L179-T193 HydrophobicContact CG-CG2 4.46Å; R181-T193 HydrophobicContact CG-CG2 4.1Å
194	L	96.2	Very high	94.8	Very high	3 Å²	3	61 Å²	61	2%	0.016	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.9	174.3	-45.9	173.8	0	0	0	107	V180 K192 W226	V180-L194 HydrophobicContact CB-CB 4.15Å; V180-L194 HydrophobicContact CB-CD1 4.31Å; V180-L194 HydrophobicContact CG1-CD1 4.07Å; V180-L194 PolarHBondContact N-O 2.91Å; V180-L194 VanDerWaalsContact N-O 3.07Å; V180-L194 PolarHBondContact O-N 3.14Å; K192-L194 HydrophobicContact CG-CD2 3.86Å; L194-W226 HydrophobicContact CD1-CB 3.77Å; L194-W226 HydrophobicContact CD1-CG 4.14Å
195	V	93.2	Very high	94.9	Very high	83 Å²	83	58.7 Å²	58.7	50%	0.503	32%	0.323	S	S	.	.			trans	-140.1	146.1	-175.9	61.9	0	0	0	0	108.2	L179 N199	L179-V195 HydrophobicContact CD2-CB 3.77Å; L179-V195 HydrophobicContact CD2-CG2 3.6Å; V195-N199 HydrophobicContact CG2-CB 4.37Å
196	D	86.9	Confident	94.9	Very high	46 Å²	46	58.3 Å²	58.3	25%	0.246	32%	0.32	C	S	.	.			trans	-106.5	162.1	170.8	-157.9	-2.8	0	0	0	110.1	D198 N199 K224	D196-D198 VanDerWaalsContact C-N 3.31Å; D196-D198 PolarHBondContact O-N 3.14Å; D196-N199 PolarHBondContact O-N 2.88Å; D196-N199 VanDerWaalsContact O-N 3.09Å; D196-K224 WeakPolarHBondContact OD2-CE 3.47Å; D196-K224 IonicContact OD2-NZ 3.74Å; D196-K224 PolarHBondContact OD2-NZ 3.47Å
197	E	84.9	Confident	95.1	Very high	186 Å²	186	53.4 Å²	53.4	87%	0.869	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-44.2	-173.8	-65.6	-173.6	169.5	0	0	112.5
198	D	88.9	Confident	95.2	Very high	123 Å²	123	51 Å²	51	66%	0.658	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.3	-178.4	-61.5	-42.3	0	0	0	113.9	D196 P200	D196-D198 VanDerWaalsContact C-N 3.31Å; D196-D198 PolarHBondContact O-N 3.14Å; D198-P200 VanDerWaalsContact C-CD 3.47Å
199	N	91.6	Very high	95.2	Very high	61 Å²	61	53.1 Å²	53.1	33%	0.326	29%	0.285	S	S	.	.			trans	42.7	50.4	-179.3	-164	46.6	0	0	0	115.4	D177 G178 L179 V195 D196	D177-N199 PolarHBondContact O-ND2 3.32Å; G178-N199 WeakPolarHBondContact CA-OD1 3.25Å; G178-N199 PolarHBondContact O-OD1 2.75Å; L179-N199 WeakPolarHBondContact CD2-OD1 3.41Å; V195-N199 HydrophobicContact CG2-CB 4.37Å; D196-N199 PolarHBondContact O-N 2.88Å; D196-N199 VanDerWaalsContact O-N 3.09Å
200	P	94.7	Very high	95	Very high	8 Å²	8	51 Å²	51	5%	0.052	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-67.8	152.5	179.5	30.6	-36.1	0	0	0	110.8	G178 D198 I202 T218 E220	G178-P200 VanDerWaalsContact CA-O 3.26Å; G178-P200 WeakPolarHBondContact CA-O 3.45Å; D198-P200 VanDerWaalsContact C-CD 3.47Å; P200-I202 PolarHBondContact O-N 3.44Å; P200-T218 HydrophobicContact CG-CG2 4.19Å; P200-E220 HydrophobicContact CB-CG 3.75Å; P200-E220 HydrophobicContact CG-CG 4.37Å
201	P	97	Very high	94.9	Very high	47 Å²	47	49.1 Å²	49.1	31%	0.305	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-50.3	127.7	175.7	-29.3	36.2	0	0	0	112.4	Y176 T218 L219	Y176-P201 HydrophobicContact CD1-CB 3.79Å; Y176-P201 HydrophobicContact CG-CB 4.49Å; P201-T218 WeakPolarHBondContact O-CA 3.4Å; P201-L219 HydrophobicContact CB-CB 4.49Å; P201-L219 HydrophobicContact CB-CD1 3.98Å; P201-L219 HydrophobicContact CB-CG 4.18Å; P201-L219 PolarHBondContact O-N 2.86Å; P201-L219 VanDerWaalsContact O-N 3.12Å
202	I	98	Very high	94.9	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.7	175.4	-50.4	-62.1	0	0	0	107.4	S160 C174 S175 G178 V180 P200 A217 T218 W226	S160-I202 WeakPolarHBondContact CB-O 3.37Å; S160-I202 PolarHBondContact OG-O 3.43Å; C174-I202 HydrophobicContact CB-CB 3.86Å; C174-I202 HydrophobicContact CB-CG2 3.44Å; C174-I202 VanDerWaalsContact CB-CG2 3.44Å; S175-I202 CarbonylContact C-O 3.59Å; S175-I202 PolarHBondContact O-N 2.96Å; S175-I202 VanDerWaalsContact O-N 3.11Å; G178-I202 VanDerWaalsContact O-CG1 3.31Å; G178-I202 WeakPolarHBondContact O-CG1 3.26Å; V180-I202 HydrophobicContact CG2-CG1 4.22Å; V180-I202 HydrophobicContact CG2-CG2 3.98Å; P200-I202 PolarHBondContact O-N 3.44Å; I202-A217 CarbonylContact C-O 3.58Å; I202-A217 WeakPolarHBondContact CA-O 3.37Å; I202-A217 WeakPolarHBondContact CG2-O 3.29Å; I202-T218 HydrophobicContact CD1-CG2 3.63Å; I202-W226 HydrophobicContact CD1-CH2 4.46Å
203	S	97.7	Very high	94.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-14.1	-169.6	72.1	0	0	0	0	113.6	A217 N242 C246	S203-A217 PolarHBondContact N-O 2.86Å; S203-A217 PolarHBondContact OG-O 3.46Å; S203-N242 PolarHBondContact OG-ND2 2.87Å; S203-C246 WeakPolarHBondContact O-CA 3.48Å; S203-C246 WeakPolarHBondContact O-CB 3.32Å; S203-C246 PolarHBondContact O-SG 2.81Å
204	Y	98.5	Very high	94.9	Very high	44 Å²	44	45.7 Å²	45.7	17%	0.173	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	157.4	174.3	-160.8	-96.9	0	0	0	111.2	G216 A217 I247 A248 C249	Y204-G216 CarbonylContact O-C 3.58Å; Y204-G216 WeakPolarHBondContact O-CA 3.29Å; Y204-A217 PolarHBondContact O-N 2.8Å; Y204-I247 VanDerWaalsContact CB-O 3.25Å; Y204-I247 WeakPolarHBondContact CB-O 3.25Å; Y204-A248 HydrophobicContact CD2-CB 4.27Å; Y204-A248 HydrophobicContact CE1-CB 4.16Å; Y204-A248 HydrophobicContact CE2-CB 3.85Å; Y204-C249 WeakPolarHBondContact CE1-O 3.28Å
205	V	98.3	Very high	95	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144.6	176.3	70.4	0	0	0	0	110.8	G161 C174 V180 V214 L215	G161-V205 VanDerWaalsContact C-CG1 3.47Å; C174-V205 HydrophobicContact CB-CB 3.92Å; C174-V205 HydrophobicContact CB-CG1 4.2Å; V180-V205 HydrophobicContact CG1-CG2 3.94Å; V205-V214 HydrophobicContact CG2-CG1 3.22Å; V205-L215 VanDerWaalsContact CA-O 3.29Å; V205-L215 WeakPolarHBondContact CA-O 3.5Å; V205-L215 WeakPolarHBondContact CG2-O 3.2Å
206	S	97.9	Very high	95.2	Very high	11 Å²	11	41.6 Å²	41.6	8%	0.077	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	141.4	171	-178	0	0	0	0	111.9	D163 V214 L215	D163-S206 WeakPolarHBondContact OD2-CA 3.18Å; D163-S206 PolarHBondContact OD2-OG 3.46Å; S206-V214 WeakPolarHBondContact O-CA 3.45Å; S206-L215 PolarHBondContact N-O 2.84Å; S206-L215 PolarHBondContact O-N 3.16Å
207	F	97.8	Very high	95.8	Very high	9 Å²	9	39.4 Å²	39.4	4%	0.039	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	144.7	173.4	-83.5	-83.6	0	0	0	112	D163 Y164 S165 L170 S172 I182 V214 I228	D163-F207 HydrophobicContact CB-CD2 3.95Å; D163-F207 WeakPolarHBondContact O-CE2 3.15Å; D163-F207 PolarHBondContact OD2-N 2.95Å; Y164-F207 VanDerWaalsContact C-CE2 3.47Å; Y164-F207 VanDerWaalsContact O-CD2 3.24Å; Y164-F207 WeakPolarHBondContact O-CD2 3.5Å; S165-F207 VanDerWaalsContact N-CE2 3.27Å; L170-F207 HydrophobicContact CB-CZ 4.06Å; S172-F207 VanDerWaalsContact N-CE2 3.32Å; S172-F207 WeakPolarHBondContact OG-CD2 3.42Å; S172-F207 WeakPolarHBondContact OG-CE2 3.36Å; I182-F207 HydrophobicContact CD1-CZ 4.49Å; F207-V214 HydrophobicContact CD1-CG2 3.67Å; F207-V214 HydrophobicContact CE1-CG2 3.77Å; F207-V214 HydrophobicContact CG-CG2 4.22Å; F207-V214 HydrophobicContact CZ-CG2 4.36Å; F207-I228 HydrophobicContact CD1-CD1 3.92Å; F207-I228 HydrophobicContact CE1-CD1 3.53Å
208	A	96.8	Very high	96.4	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.033	17%	0.165	C	C	.	.			trans	-67.7	149.2	162.2	0	0	0	0	0	110.6	N210 G211 Y213 F251	A208-N210 WeakPolarHBondContact CB-OD1 3.38Å; A208-N210 PolarHBondContact O-N 3.06Å; A208-G211 PolarHBondContact O-N 2.77Å; A208-Y213 HydrophobicContact CB-CD2 4.4Å; A208-Y213 WeakPolarHBondContact CB-O 3.31Å; A208-Y213 PolarHBondContact N-O 2.87Å; A208-F251 HydrophobicContact CB-CD2 4.35Å; A208-F251 HydrophobicContact CB-CE2 3.65Å; A208-F251 HydrophobicContact CB-CZ 3.77Å
209	P	94.2	Very high	96.7	Very high	56 Å²	56	26.1 Å²	26.1	36%	0.364	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.6	-177.7	-27.6	36.1	0	0	0	115.3	P166 F251 Q253	P166-P209 VanDerWaalsContact CG-O 3.29Å; P166-P209 WeakPolarHBondContact CG-O 3.39Å; P209-F251 HydrophobicContact CG-CB 4.33Å; P209-Q253 VanDerWaalsContact CG-OE1 3.23Å
210	N	94.2	Very high	97	Very high	97 Å²	97	26.8 Å²	26.8	52%	0.519	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.2	175.6	64.6	8.1	0	0	0	113.5	A208 M212	A208-N210 WeakPolarHBondContact CB-OD1 3.38Å; A208-N210 PolarHBondContact O-N 3.06Å; N210-M212 HydrophobicContact CB-CG 4.37Å; N210-M212 PolarHBondContact O-N 3.41Å; N210-M212 PolarHBondContact OD1-N 2.76Å
211	G	95.3	Very high	97.1	Very high	17 Å²	17	28.5 Å²	28.5	18%	0.175	15%	0.151	C	C	.	.	S	Bend	trans	71.8	6.6	-178.5	0	0	0	0	0	115.4	A208 I228	A208-G211 PolarHBondContact O-N 2.77Å; G211-I228 VanDerWaalsContact O-CD1 3.32Å; G211-I228 WeakPolarHBondContact O-CD1 3.37Å
212	M	96.4	Very high	97.2	Very high	81 Å²	81	28.6 Å²	28.6	40%	0.399	15%	0.146	S	C	.	.	S	Bend	trans	-95.4	-22.5	-175.6	-58.2	-60.8	-67	0	0	113.1	N210 I228 I229	N210-M212 HydrophobicContact CB-CG 4.37Å; N210-M212 PolarHBondContact O-N 3.41Å; N210-M212 PolarHBondContact OD1-N 2.76Å; M212-I228 WeakPolarHBondContact O-CG1 3.24Å; M212-I228 PolarHBondContact O-N 3.15Å; M212-I229 HydrophobicContact CE-CD1 3.43Å; M212-I229 VanDerWaalsContact CE-CD1 3.43Å; M212-I229 HydrophobicContact CE-CG1 4.38Å
213	Y	97.5	Very high	97.2	Very high	75 Å²	75	28.3 Å²	28.3	29%	0.294	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	158	-177.4	-52.9	-82.1	0	0	0	111.3	A208 L225 W226 D227 V234	A208-Y213 HydrophobicContact CB-CD2 4.4Å; A208-Y213 WeakPolarHBondContact CB-O 3.31Å; A208-Y213 PolarHBondContact N-O 2.87Å; Y213-L225 HydrophobicContact CD1-CG 4.47Å; Y213-L225 HydrophobicContact CG-CD1 4.35Å; Y213-W226 CarbonylContact C-O 3.54Å; Y213-W226 WeakPolarHBondContact CA-O 3.27Å; Y213-W226 WeakPolarHBondContact CB-O 3.33Å; Y213-D227 HydrophobicContact CD1-CB 4.01Å; Y213-D227 HydrophobicContact CE1-CB 3.87Å; Y213-V234 HydrophobicContact CD1-CG2 4.22Å; Y213-V234 HydrophobicContact CE1-CG2 4.1Å
214	V	97.9	Very high	97.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.1	171.8	169.7	0	0	0	0	109	V180 I182 V205 S206 F207 L225 W226 I228	V180-V214 HydrophobicContact CG1-CG1 4.13Å; I182-V214 HydrophobicContact CD1-CG2 4.03Å; V205-V214 HydrophobicContact CG2-CG1 3.22Å; S206-V214 WeakPolarHBondContact O-CA 3.45Å; F207-V214 HydrophobicContact CD1-CG2 3.67Å; F207-V214 HydrophobicContact CE1-CG2 3.77Å; F207-V214 HydrophobicContact CG-CG2 4.22Å; F207-V214 HydrophobicContact CZ-CG2 4.36Å; V214-L225 WeakPolarHBondContact O-CA 3.49Å; V214-W226 PolarHBondContact N-O 3.42Å; V214-W226 PolarHBondContact O-N 3.34Å; V214-I228 HydrophobicContact CG2-CD1 3.76Å; V214-I228 HydrophobicContact CG2-CG1 3.87Å
215	L	97.9	Very high	97.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	148.4	163.8	-72.8	173.8	0	0	0	110.1	V205 S206 V223 K224 L225 F237 F251 V259	V205-L215 VanDerWaalsContact CA-O 3.29Å; V205-L215 WeakPolarHBondContact CA-O 3.5Å; V205-L215 WeakPolarHBondContact CG2-O 3.2Å; S206-L215 PolarHBondContact N-O 2.84Å; S206-L215 PolarHBondContact O-N 3.16Å; L215-V223 HydrophobicContact CD2-CG1 3.91Å; L215-K224 CarbonylContact C-O 3.52Å; L215-K224 VanDerWaalsContact CA-O 3.27Å; L215-K224 WeakPolarHBondContact CA-O 3.38Å; L215-L225 HydrophobicContact CD2-CB 4.05Å; L215-L225 HydrophobicContact CD2-CD1 3.66Å; L215-L225 HydrophobicContact CD2-CG 4.47Å; L215-L225 HydrophobicContact CG-CD1 4.09Å; L215-F237 HydrophobicContact CD2-CE2 4.25Å; L215-F251 HydrophobicContact CB-CE2 4.41Å; L215-F251 HydrophobicContact CD1-CD1 4.32Å; L215-F251 HydrophobicContact CD1-CD2 3.68Å; L215-F251 HydrophobicContact CD1-CE1 3.96Å; L215-F251 HydrophobicContact CD1-CE2 3.24Å; L215-F251 HydrophobicContact CD1-CG 4.22Å; L215-F251 HydrophobicContact CD1-CZ 3.43Å; L215-F251 VanDerWaalsContact CD1-CZ 3.43Å; L215-F251 HydrophobicContact CD2-CE1 4.41Å; L215-F251 HydrophobicContact CD2-CE2 4.43Å; L215-F251 HydrophobicContact CD2-CZ 3.89Å; L215-F251 HydrophobicContact CG-CD2 4.34Å; L215-F251 HydrophobicContact CG-CE1 4.2Å; L215-F251 HydrophobicContact CG-CE2 3.42Å; L215-F251 VanDerWaalsContact CG-CE2 3.42Å; L215-F251 HydrophobicContact CG-CZ 3.35Å; L215-V259 HydrophobicContact CD1-CG1 3.99Å; L215-V259 HydrophobicContact CD1-CG2 4.26Å; L215-V259 HydrophobicContact CD2-CG1 4.28Å; L215-V259 HydrophobicContact CD2-CG2 4.08Å
216	G	97.7	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	135	167	0	0	0	0	0	111.2	Y204 V223 K224	Y204-G216 CarbonylContact O-C 3.58Å; Y204-G216 WeakPolarHBondContact O-CA 3.29Å; G216-V223 WeakPolarHBondContact O-CA 3.48Å; G216-K224 PolarHBondContact N-O 3.42Å; G216-K224 PolarHBondContact O-N 2.9Å
217	A	98.1	Very high	97	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	137.8	176.6	0	0	0	0	0	109.5	I202 S203 Y204 V223	I202-A217 CarbonylContact C-O 3.58Å; I202-A217 WeakPolarHBondContact CA-O 3.37Å; I202-A217 WeakPolarHBondContact CG2-O 3.29Å; S203-A217 PolarHBondContact N-O 2.86Å; S203-A217 PolarHBondContact OG-O 3.46Å; Y204-A217 PolarHBondContact O-N 2.8Å; A217-V223 HydrophobicContact CB-CG2 4.27Å
218	T	97.4	Very high	97	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	153.7	176.4	80.5	0	0	0	0	110	P200 P201 I202 E220 K222 K224	P200-T218 HydrophobicContact CG-CG2 4.19Å; P201-T218 WeakPolarHBondContact O-CA 3.4Å; I202-T218 HydrophobicContact CD1-CG2 3.63Å; T218-E220 PolarHBondContact O-N 2.85Å; T218-E220 PolarHBondContact OG1-N 2.98Å; T218-K222 PolarHBondContact N-O 3.2Å; T218-K224 HydrophobicContact CG2-CD 4.1Å
219	L	96.8	Very high	96.9	Very high	31 Å²	31	33.5 Å²	33.5	16%	0.162	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	27.6	173.6	-61.1	-171.2	0	0	0	113.7	Y176 P201 N242 Y245	Y176-L219 HydrophobicContact CD1-CD1 4.29Å; Y176-L219 HydrophobicContact CE1-CD1 3.75Å; P201-L219 HydrophobicContact CB-CB 4.49Å; P201-L219 HydrophobicContact CB-CD1 3.98Å; P201-L219 HydrophobicContact CB-CG 4.18Å; P201-L219 PolarHBondContact O-N 2.86Å; P201-L219 VanDerWaalsContact O-N 3.12Å; L219-N242 CarbonylContact C-O 3.55Å; L219-N242 WeakPolarHBondContact CA-O 3.26Å; L219-N242 WeakPolarHBondContact CD2-OD1 3.07Å; L219-Y245 WeakPolarHBondContact CD2-O 3.49Å
220	E	96.7	Very high	96.9	Very high	75 Å²	75	34.7 Å²	34.7	35%	0.35	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	31.8	174.9	-61.2	-169.2	140.6	0	0	111.1	P200 T218 K222 N242	P200-E220 HydrophobicContact CB-CG 3.75Å; P200-E220 HydrophobicContact CG-CG 4.37Å; T218-E220 PolarHBondContact O-N 2.85Å; T218-E220 PolarHBondContact OG1-N 2.98Å; E220-K222 HydrophobicContact CB-CD 4.32Å; E220-K222 WeakPolarHBondContact O-CG 3.39Å; E220-K222 PolarHBondContact O-N 3.22Å; E220-K222 IonicContact OE2-NZ 2.84Å; E220-K222 PolarHBondContact OE2-NZ 3.33Å; E220-N242 PolarHBondContact N-O 2.92Å
221	N	97.7	Very high	96.9	Very high	44 Å²	44	31.2 Å²	31.2	24%	0.235	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	28.8	178.2	-53.3	-54.4	0	0	0	113.8	H240 K241 N242 E243	N221-H240 WeakPolarHBondContact CB-O 3.44Å; N221-H240 PolarHBondContact O-CE1 2.78Å; N221-H240 VanDerWaalsContact O-CE1 3.26Å; N221-K241 VanDerWaalsContact OD1-CA 3.25Å; N221-K241 WeakPolarHBondContact OD1-CA 3.42Å; N221-N242 PolarHBondContact N-O 3.12Å; N221-N242 PolarHBondContact OD1-N 3.39Å; N221-N242 PolarHBondContact OD1-O 2.86Å; N221-E243 PolarHBondContact ND2-OE1 2.61Å; N221-E243 WeakPolarHBondContact OD1-CG 3.21Å
222	K	97.7	Very high	96.9	Very high	48 Å²	48	37.5 Å²	37.5	21%	0.209	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.5	-177.1	-63.9	161.9	-170	165.6	0	111.3	T218 E220 Q236 V238	T218-K222 PolarHBondContact N-O 3.2Å; E220-K222 HydrophobicContact CB-CD 4.32Å; E220-K222 WeakPolarHBondContact O-CG 3.39Å; E220-K222 PolarHBondContact O-N 3.22Å; E220-K222 IonicContact OE2-NZ 2.84Å; E220-K222 PolarHBondContact OE2-NZ 3.33Å; K222-Q236 HydrophobicContact CB-CG 4.17Å; K222-Q236 HydrophobicContact CG-CG 4.21Å; K222-V238 HydrophobicContact CG-CG1 4.08Å
223	V	98.1	Very high	96.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.7	160.3	178.2	0	0	0	0	107.8	L215 G216 A217 Q236 F237 C249 V259	L215-V223 HydrophobicContact CD2-CG1 3.91Å; G216-V223 WeakPolarHBondContact O-CA 3.48Å; A217-V223 HydrophobicContact CB-CG2 4.27Å; V223-Q236 CarbonylContact O-C 3.2Å; V223-Q236 WeakPolarHBondContact O-CA 3.43Å; V223-F237 HydrophobicContact CB-CB 4.3Å; V223-F237 HydrophobicContact CB-CD2 4.34Å; V223-F237 HydrophobicContact CG1-CD2 4.24Å; V223-F237 PolarHBondContact N-O 3.18Å; V223-F237 WeakPolarHBondContact O-CD2 3.34Å; V223-F237 PolarHBondContact O-N 3.33Å; V223-C249 HydrophobicContact CG1-CB 4.29Å; V223-C249 HydrophobicContact CG2-CB 4.27Å; V223-V259 HydrophobicContact CG1-CG1 4.17Å
224	K	97.5	Very high	96.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.3	-174	-74.4	176.9	-169.4	172.6	0	109.9	D196 L215 G216 T218 W226 L233 Q236	D196-K224 WeakPolarHBondContact OD2-CE 3.47Å; D196-K224 IonicContact OD2-NZ 3.74Å; D196-K224 PolarHBondContact OD2-NZ 3.47Å; L215-K224 CarbonylContact C-O 3.52Å; L215-K224 VanDerWaalsContact CA-O 3.27Å; L215-K224 WeakPolarHBondContact CA-O 3.38Å; G216-K224 PolarHBondContact N-O 3.42Å; G216-K224 PolarHBondContact O-N 2.9Å; T218-K224 HydrophobicContact CG2-CD 4.1Å; K224-W226 HydrophobicContact CB-CD2 4.31Å; K224-W226 HydrophobicContact CB-CE3 4.01Å; K224-W226 HydrophobicContact CB-CH2 3.18Å; K224-W226 HydrophobicContact CB-CZ2 3.47Å; K224-W226 VanDerWaalsContact CB-CZ2 3.47Å; K224-W226 HydrophobicContact CB-CZ3 3.45Å; K224-W226 VanDerWaalsContact CB-CZ3 3.45Å; K224-W226 HydrophobicContact CD-CH2 3.82Å; K224-W226 HydrophobicContact CD-CZ2 3.54Å; K224-W226 HydrophobicContact CG-CH2 4.1Å; K224-W226 HydrophobicContact CG-CZ2 4.13Å; K224-W226 WeakPolarHBondContact O-CZ3 3.4Å; K224-L233 HydrophobicContact CB-CD1 3.56Å; K224-L233 HydrophobicContact CD-CD1 4.1Å; K224-L233 HydrophobicContact CG-CD1 3.81Å; K224-Q236 HydrophobicContact CG-CG 4.09Å
225	L	97.7	Very high	96.7	Very high	7 Å²	7	40 Å²	40	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.5	178.4	-178.3	73.1	0	0	0	109	Y213 V214 L215 V234 R235 F237 F251	Y213-L225 HydrophobicContact CD1-CG 4.47Å; Y213-L225 HydrophobicContact CG-CD1 4.35Å; V214-L225 WeakPolarHBondContact O-CA 3.49Å; L215-L225 HydrophobicContact CD2-CB 4.05Å; L215-L225 HydrophobicContact CD2-CD1 3.66Å; L215-L225 HydrophobicContact CD2-CG 4.47Å; L215-L225 HydrophobicContact CG-CD1 4.09Å; L225-V234 WeakPolarHBondContact O-CB 3.22Å; L225-V234 PolarHBondContact O-N 3.48Å; L225-R235 HydrophobicContact CB-CB 4.13Å; L225-R235 HydrophobicContact CD2-CB 4.36Å; L225-R235 HydrophobicContact CD2-CG 4.27Å; L225-R235 PolarHBondContact N-O 2.98Å; L225-R235 PolarHBondContact O-N 3.48Å; L225-F237 HydrophobicContact CB-CE2 4.27Å; L225-F251 HydrophobicContact CD1-CE1 4.37Å; L225-F251 HydrophobicContact CD1-CZ 3.7Å
226	W	97.7	Very high	96.7	Very high	7 Å²	7	43 Å²	43	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.2	178.3	-64.5	-96.9	0	0	0	111.6	L194 I202 Y213 V214 K224 K232 L233	L194-W226 HydrophobicContact CD1-CB 3.77Å; L194-W226 HydrophobicContact CD1-CG 4.14Å; I202-W226 HydrophobicContact CD1-CH2 4.46Å; Y213-W226 CarbonylContact C-O 3.54Å; Y213-W226 WeakPolarHBondContact CA-O 3.27Å; Y213-W226 WeakPolarHBondContact CB-O 3.33Å; V214-W226 PolarHBondContact N-O 3.42Å; V214-W226 PolarHBondContact O-N 3.34Å; K224-W226 HydrophobicContact CB-CD2 4.31Å; K224-W226 HydrophobicContact CB-CE3 4.01Å; K224-W226 HydrophobicContact CB-CH2 3.18Å; K224-W226 HydrophobicContact CB-CZ2 3.47Å; K224-W226 VanDerWaalsContact CB-CZ2 3.47Å; K224-W226 HydrophobicContact CB-CZ3 3.45Å; K224-W226 VanDerWaalsContact CB-CZ3 3.45Å; K224-W226 HydrophobicContact CD-CH2 3.82Å; K224-W226 HydrophobicContact CD-CZ2 3.54Å; K224-W226 HydrophobicContact CG-CH2 4.1Å; K224-W226 HydrophobicContact CG-CZ2 4.13Å; K224-W226 WeakPolarHBondContact O-CZ3 3.4Å; W226-K232 WeakPolarHBondContact CA-O 3.22Å; W226-L233 HydrophobicContact CD2-CD1 4.23Å; W226-L233 HydrophobicContact CG-CD1 4.44Å; W226-L233 HydrophobicContact CZ2-CD1 4.37Å
227	D	96.9	Very high	96.7	Very high	25 Å²	25	43 Å²	43	13%	0.134	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	122.8	166.2	178.2	-71.2	0	0	0	108.7	Y213 I229 T230 G231 K232 V234	Y213-D227 HydrophobicContact CD1-CB 4.01Å; Y213-D227 HydrophobicContact CE1-CB 3.87Å; D227-I229 VanDerWaalsContact C-N 3.33Å; D227-I229 PolarHBondContact O-N 2.71Å; D227-I229 PolarHBondContact OD1-N 2.71Å; D227-I229 VanDerWaalsContact OD1-N 3.07Å; D227-T230 VanDerWaalsContact CB-OG1 3.32Å; D227-T230 WeakPolarHBondContact CB-OG1 3.38Å; D227-T230 VanDerWaalsContact CG-OG1 3.29Å; D227-T230 WeakPolarHBondContact OD1-CB 3.42Å; D227-T230 WeakPolarHBondContact OD1-CG2 3.18Å; D227-T230 PolarHBondContact OD1-N 2.98Å; D227-T230 PolarHBondContact OD1-OG1 3.31Å; D227-G231 VanDerWaalsContact O-CA 3.22Å; D227-G231 WeakPolarHBondContact O-CA 3.49Å; D227-G231 PolarHBondContact O-N 2.93Å; D227-K232 PolarHBondContact N-O 3.28Å; D227-V234 HydrophobicContact CB-CG2 3.67Å
228	I	95.9	Very high	96.7	Very high	14 Å²	14	46.6 Å²	46.6	7%	0.072	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-36.3	-171.5	-62.4	171.2	0	0	0	111.6	I182 F207 G211 M212 V214	I182-I228 HydrophobicContact CG1-CG2 4.26Å; I182-I228 HydrophobicContact CG2-CG2 4.3Å; F207-I228 HydrophobicContact CD1-CD1 3.92Å; F207-I228 HydrophobicContact CE1-CD1 3.53Å; G211-I228 VanDerWaalsContact O-CD1 3.32Å; G211-I228 WeakPolarHBondContact O-CD1 3.37Å; M212-I228 WeakPolarHBondContact O-CG1 3.24Å; M212-I228 PolarHBondContact O-N 3.15Å; V214-I228 HydrophobicContact CG2-CD1 3.76Å; V214-I228 HydrophobicContact CG2-CG1 3.87Å
229	I	94.8	Very high	96.7	Very high	124 Å²	124	48.8 Å²	48.8	64%	0.636	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-50.6	-174	-63.1	179.4	0	0	0	109.8	M212 D227	M212-I229 HydrophobicContact CE-CD1 3.43Å; M212-I229 VanDerWaalsContact CE-CD1 3.43Å; M212-I229 HydrophobicContact CE-CG1 4.38Å; D227-I229 VanDerWaalsContact C-N 3.33Å; D227-I229 PolarHBondContact O-N 2.71Å; D227-I229 PolarHBondContact OD1-N 2.71Å; D227-I229 VanDerWaalsContact OD1-N 3.07Å
230	T	95.3	Very high	96.8	Very high	82 Å²	82	47.7 Å²	47.7	50%	0.503	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-21.7	-177.8	64.4	0	0	0	0	112.5	D227 K232	D227-T230 VanDerWaalsContact CB-OG1 3.32Å; D227-T230 WeakPolarHBondContact CB-OG1 3.38Å; D227-T230 VanDerWaalsContact CG-OG1 3.29Å; D227-T230 WeakPolarHBondContact OD1-CB 3.42Å; D227-T230 WeakPolarHBondContact OD1-CG2 3.18Å; D227-T230 PolarHBondContact OD1-N 2.98Å; D227-T230 PolarHBondContact OD1-OG1 3.31Å; T230-K232 PolarHBondContact O-N 2.81Å; T230-K232 PolarHBondContact OG1-N 2.89Å
231	G	94.3	Very high	96.9	Very high	24 Å²	24	48.4 Å²	48.4	25%	0.247	26%	0.26	C	S	.	.			trans	71.9	6	-173.2	0	0	0	0	0	114.2	D227	D227-G231 VanDerWaalsContact O-CA 3.22Å; D227-G231 WeakPolarHBondContact O-CA 3.49Å; D227-G231 PolarHBondContact O-N 2.93Å
232	K	94.9	Very high	96.9	Very high	148 Å²	148	46.3 Å²	46.3	64%	0.643	25%	0.248	S	C	*	.			trans	-86.6	142.6	-173.5	-66	-175.4	178.4	-175.9	0	111.6	W226 D227 T230 V234	W226-K232 WeakPolarHBondContact CA-O 3.22Å; D227-K232 PolarHBondContact N-O 3.28Å; T230-K232 PolarHBondContact O-N 2.81Å; T230-K232 PolarHBondContact OG1-N 2.89Å; K232-V234 PolarHBondContact O-N 3.03Å
233	L	96	Very high	96.8	Very high	69 Å²	69	48.9 Å²	48.9	36%	0.361	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	122.5	164.3	-178.1	67.2	0	0	0	109.1	K224 W226 R235	K224-L233 HydrophobicContact CB-CD1 3.56Å; K224-L233 HydrophobicContact CD-CD1 4.1Å; K224-L233 HydrophobicContact CG-CD1 3.81Å; W226-L233 HydrophobicContact CD2-CD1 4.23Å; W226-L233 HydrophobicContact CG-CD1 4.44Å; W226-L233 HydrophobicContact CZ2-CD1 4.37Å; L233-R235 WeakPolarHBondContact CD1-O 3.38Å
234	V	96	Very high	96.8	Very high	70 Å²	70	55.2 Å²	55.2	42%	0.424	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-44.3	-178.6	-169.8	0	0	0	0	110.6	Y213 L225 D227 K232	Y213-V234 HydrophobicContact CD1-CG2 4.22Å; Y213-V234 HydrophobicContact CE1-CG2 4.1Å; L225-V234 WeakPolarHBondContact O-CB 3.22Å; L225-V234 PolarHBondContact O-N 3.48Å; D227-V234 HydrophobicContact CB-CG2 3.67Å; K232-V234 PolarHBondContact O-N 3.03Å
235	R	96.7	Very high	96.7	Very high	69 Å²	69	59.1 Å²	59.1	26%	0.26	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155.6	-175	-56.5	180	175.6	-87.8	-4.4	111.1	L225 L233 F237 I273 K274	L225-R235 HydrophobicContact CB-CB 4.13Å; L225-R235 HydrophobicContact CD2-CB 4.36Å; L225-R235 HydrophobicContact CD2-CG 4.27Å; L225-R235 PolarHBondContact N-O 2.98Å; L225-R235 PolarHBondContact O-N 3.48Å; L233-R235 WeakPolarHBondContact CD1-O 3.38Å; R235-F237 HydrophobicContact CB-CE2 4.2Å; R235-F237 HydrophobicContact CB-CZ 4.04Å; R235-I273 WeakPolarHBondContact CD-O 3.33Å; R235-I273 PolarHBondContact NE-O 3.1Å; R235-I273 VanDerWaalsContact NE-O 3.12Å; R235-I273 PolarHBondContact NH1-O 2.77Å; R235-K274 VanDerWaalsContact NH1-CA 3.28Å; R235-K274 PolarHBondContact NH1-O 3.36Å
236	Q	97.1	Very high	96.7	Very high	64 Å²	64	59.6 Å²	59.6	30%	0.299	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.9	172.2	-174.4	178.9	-70.1	0	0	109.2	K222 V223 K224 V238	K222-Q236 HydrophobicContact CB-CG 4.17Å; K222-Q236 HydrophobicContact CG-CG 4.21Å; V223-Q236 CarbonylContact O-C 3.2Å; V223-Q236 WeakPolarHBondContact O-CA 3.43Å; K224-Q236 HydrophobicContact CG-CG 4.09Å; Q236-V238 HydrophobicContact CG-CG1 4.09Å
237	F	98.3	Very high	96.7	Very high	1 Å²	1	59.2 Å²	59.2	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.7	179.1	-50.3	-82	0	0	0	108.5	L215 V223 L225 R235 V259 W271 K276	L215-F237 HydrophobicContact CD2-CE2 4.25Å; V223-F237 HydrophobicContact CB-CB 4.3Å; V223-F237 HydrophobicContact CB-CD2 4.34Å; V223-F237 HydrophobicContact CG1-CD2 4.24Å; V223-F237 PolarHBondContact N-O 3.18Å; V223-F237 WeakPolarHBondContact O-CD2 3.34Å; V223-F237 PolarHBondContact O-N 3.33Å; L225-F237 HydrophobicContact CB-CE2 4.27Å; R235-F237 HydrophobicContact CB-CE2 4.2Å; R235-F237 HydrophobicContact CB-CZ 4.04Å; F237-V259 HydrophobicContact CD2-CB 4.46Å; F237-V259 HydrophobicContact CD2-CG1 4.29Å; F237-V259 HydrophobicContact CD2-CG2 4.21Å; F237-V259 HydrophobicContact CE1-CG2 4.21Å; F237-V259 HydrophobicContact CE2-CB 4.32Å; F237-V259 HydrophobicContact CE2-CG1 4.47Å; F237-V259 HydrophobicContact CE2-CG2 3.61Å; F237-V259 HydrophobicContact CZ-CB 4.38Å; F237-V259 HydrophobicContact CZ-CG2 3.6Å; F237-W271 HydrophobicContact CB-CD2 3.92Å; F237-W271 HydrophobicContact CB-CE3 4.48Å; F237-W271 HydrophobicContact CB-CG 3.95Å; F237-W271 HydrophobicContact CD1-CB 3.52Å; F237-W271 AromaticContact CD1-CG 3.79Å; F237-W271 HydrophobicContact CD1-CG 3.79Å; F237-W271 HydrophobicContact CE1-CB 4.05Å; F237-W271 HydrophobicContact CG-CB 4.29Å; F237-W271 HydrophobicContact CG-CD2 4.48Å; F237-W271 HydrophobicContact CG-CG 4.2Å; F237-K276 HydrophobicContact CD1-CB 4.15Å; F237-K276 HydrophobicContact CE1-CB 4.26Å; F237-K276 HydrophobicContact CE1-CG 4.25Å
238	V	98.2	Very high	96.8	Very high	75 Å²	75	58.1 Å²	58.1	46%	0.455	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	170.3	-173	-62.3	0	0	0	0	110.4	K222 Q236 W271	K222-V238 HydrophobicContact CG-CG1 4.08Å; Q236-V238 HydrophobicContact CG-CG1 4.09Å; V238-W271 PolarHBondContact O-NE1 3.32Å
239	G	97.4	Very high	96.9	Very high	46 Å²	46	57.5 Å²	57.5	47%	0.474	30%	0.297	S	S	.	.	S	Bend	trans	103.1	-6.6	174.7	0	0	0	0	0	115	Y269	G239-Y269 VanDerWaalsContact O-CE1 3.24Å; G239-Y269 WeakPolarHBondContact O-CE1 3.34Å; G239-Y269 PolarHBondContact O-OH 2.81Å
240	H	97.9	Very high	97.1	Very high	7 Å²	7	52.2 Å²	52.2	3%	0.032	27%	0.271	C	S	.	.	S	Bend	trans	-89.1	167.3	163.7	74.4	-67.8	0	0	0	109.9	N221 Y269 W271	N221-H240 WeakPolarHBondContact CB-O 3.44Å; N221-H240 PolarHBondContact O-CE1 2.78Å; N221-H240 VanDerWaalsContact O-CE1 3.26Å; H240-Y269 HydrophobicContact CB-CD1 4.1Å; H240-Y269 HydrophobicContact CB-CD2 3.56Å; H240-Y269 HydrophobicContact CB-CE1 4.22Å; H240-Y269 HydrophobicContact CB-CE2 3.7Å; H240-Y269 HydrophobicContact CB-CG 3.8Å; H240-W271 HydrophobicContact CB-CH2 3.93Å; H240-W271 HydrophobicContact CB-CZ2 3.96Å; H240-W271 AromaticContact CG-CH2 3.89Å; H240-W271 AromaticContact ND1-CH2 3.77Å; H240-W271 AromaticContact ND1-CZ2 3.71Å
241	K	98	Very high	97.2	Very high	90 Å²	90	48.7 Å²	48.7	39%	0.391	25%	0.249	S	C	.	.			trans	-105.2	129	170.5	-167	-179.4	176.2	-179.4	0	111.9	N221 E243 S263 E264	N221-K241 VanDerWaalsContact OD1-CA 3.25Å; N221-K241 WeakPolarHBondContact OD1-CA 3.42Å; K241-E243 VanDerWaalsContact CE-OE2 3.32Å; K241-E243 WeakPolarHBondContact CE-OE2 3.28Å; K241-E243 HydrophobicContact CG-CG 4.47Å; K241-E243 IonicContact NZ-OE2 2.79Å; K241-S263 WeakPolarHBondContact CA-OG 3.16Å; K241-S263 PolarHBondContact N-OG 3.11Å; K241-S263 WeakPolarHBondContact O-CA 3.34Å; K241-S263 PolarHBondContact O-OG 3.1Å; K241-E264 HydrophobicContact CB-CB 4.09Å; K241-E264 HydrophobicContact CD-CB 4.01Å; K241-E264 WeakPolarHBondContact CE-OE2 3.38Å; K241-E264 HydrophobicContact CG-CB 3.93Å; K241-E264 PolarHBondContact O-N 3.48Å
242	N	97.9	Very high	97.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.			trans	-161.2	102	176.7	-174.9	1.1	0	0	0	109.3	S203 L219 E220 N221 Y245 I247	S203-N242 PolarHBondContact OG-ND2 2.87Å; L219-N242 CarbonylContact C-O 3.55Å; L219-N242 WeakPolarHBondContact CA-O 3.26Å; L219-N242 WeakPolarHBondContact CD2-OD1 3.07Å; E220-N242 PolarHBondContact N-O 2.92Å; N221-N242 PolarHBondContact N-O 3.12Å; N221-N242 PolarHBondContact OD1-N 3.39Å; N221-N242 PolarHBondContact OD1-O 2.86Å; N242-Y245 PolarHBondContact OD1-O 2.79Å; N242-I247 HydrophobicContact CB-CD1 4.2Å
243	E	97	Very high	97.3	Very high	102 Å²	102	43.6 Å²	43.6	48%	0.477	22%	0.221	S	C	.	.	S	Bend	trans	-130.4	-19.1	-173.9	-60.8	178	164.3	0	0	112.1	N221 K241 E264	N221-E243 PolarHBondContact ND2-OE1 2.61Å; N221-E243 WeakPolarHBondContact OD1-CG 3.21Å; K241-E243 VanDerWaalsContact CE-OE2 3.32Å; K241-E243 WeakPolarHBondContact CE-OE2 3.28Å; K241-E243 HydrophobicContact CG-CG 4.47Å; K241-E243 IonicContact NZ-OE2 2.79Å; E243-E264 PolarHBondContact N-OE1 3.2Å
244	K	96.6	Very high	97.2	Very high	134 Å²	134	42.6 Å²	42.6	58%	0.583	22%	0.217	S	C	*	.	S	Bend	trans	-130.8	-36.3	-172	-176.1	178.3	175.3	-165.8	0	114.2	E264	K244-E264 PolarHBondContact N-OE1 3.23Å
245	Y	96.9	Very high	96.9	Very high	84 Å²	84	41.8 Å²	41.8	33%	0.329	22%	0.223	S	C	.	.	S	Bend	trans	-104.5	151.9	-167.3	-59.7	-80	0	0	0	113.4	L219 N242 I247 E264 L288	L219-Y245 WeakPolarHBondContact CD2-O 3.49Å; N242-Y245 PolarHBondContact OD1-O 2.79Å; Y245-I247 VanDerWaalsContact C-N 3.28Å; Y245-I247 PolarHBondContact O-N 2.77Å; Y245-E264 HydrophobicContact CD2-CG 4.02Å; Y245-E264 WeakPolarHBondContact CD2-OE1 3.49Å; Y245-E264 PolarHBondContact N-OE1 2.81Å; Y245-L288 HydrophobicContact CD2-CD1 4.39Å; Y245-L288 HydrophobicContact CD2-CD2 3.73Å; Y245-L288 HydrophobicContact CE1-CD2 4.45Å; Y245-L288 HydrophobicContact CE2-CD2 3.38Å; Y245-L288 HydrophobicContact CG-CD1 4.48Å; Y245-L288 HydrophobicContact CG-CD2 4.39Å
246	C	97.2	Very high	96.7	Very high	16 Å²	16	42 Å²	42	11%	0.108	23%	0.227	C	C	.	.			trans	-74.4	81.1	168.1	-69.5	0	0	0	0	110.7	F118 Y176 S203 L290	F118-C246 HydrophobicContact CE1-CB 3.8Å; F118-C246 HydrophobicContact CZ-CB 3.64Å; Y176-C246 PolarHBondContact OH-SG 2.63Å; S203-C246 WeakPolarHBondContact O-CA 3.48Å; S203-C246 WeakPolarHBondContact O-CB 3.32Å; S203-C246 PolarHBondContact O-SG 2.81Å; C246-L290 WeakPolarHBondContact O-CD1 3.14Å
247	I	98.1	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.			trans	-85.6	127.1	-178.2	-62.2	-177.9	0	0	0	110.6	Y204 N242 Y245 G262 E264 V289 L290	Y204-I247 VanDerWaalsContact CB-O 3.25Å; Y204-I247 WeakPolarHBondContact CB-O 3.25Å; N242-I247 HydrophobicContact CB-CD1 4.2Å; Y245-I247 VanDerWaalsContact C-N 3.28Å; Y245-I247 PolarHBondContact O-N 2.77Å; I247-G262 VanDerWaalsContact CG2-C 3.4Å; I247-G262 WeakPolarHBondContact CG2-O 3.32Å; I247-E264 HydrophobicContact CD1-CG 3.79Å; I247-V289 WeakPolarHBondContact CG2-O 3.34Å; I247-L290 WeakPolarHBondContact CA-O 3.24Å
248	A	98.1	Very high	96.4	Very high	2 Å²	2	43.3 Å²	43.3	2%	0.017	23%	0.232	C	C	.	.			trans	-64.8	137.5	178.7	0	0	0	0	0	112.4	Y204 G262 L290 L292	Y204-A248 HydrophobicContact CD2-CB 4.27Å; Y204-A248 HydrophobicContact CE1-CB 4.16Å; Y204-A248 HydrophobicContact CE2-CB 3.85Å; A248-G262 PolarHBondContact O-N 2.6Å; A248-L290 PolarHBondContact N-O 3.37Å; A248-L292 HydrophobicContact CB-CG 4.29Å
249	C	98.1	Very high	96.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.1	169.1	68.8	0	0	0	0	110.5	Y204 V223 V260	Y204-C249 WeakPolarHBondContact CE1-O 3.28Å; V223-C249 HydrophobicContact CG1-CB 4.29Å; V223-C249 HydrophobicContact CG2-CB 4.27Å; C249-V260 CarbonylContact C-O 3.6Å; C249-V260 VanDerWaalsContact CA-O 3.22Å; C249-V260 WeakPolarHBondContact CA-O 3.41Å
250	T	98	Very high	96.5	Very high	13 Å²	13	37.5 Å²	37.5	8%	0.08	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	-174.3	-179.7	-163.1	0	0	0	0	111.7	V260 L292 C294	T250-V260 HydrophobicContact CG2-CG2 3.68Å; T250-V260 PolarHBondContact N-O 3.29Å; T250-V260 WeakPolarHBondContact O-CG2 3.33Å; T250-V260 PolarHBondContact O-N 3Å; T250-L292 HydrophobicContact CG2-CD1 3.56Å; T250-C294 HydrophobicContact CG2-CB 4.44Å
251	F	97.8	Very high	96.5	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.7	175.1	-60	-90.9	0	0	0	111.7	A208 P209 L215 L225 Q253 Y258 V259 I273 C294	A208-F251 HydrophobicContact CB-CD2 4.35Å; A208-F251 HydrophobicContact CB-CE2 3.65Å; A208-F251 HydrophobicContact CB-CZ 3.77Å; P209-F251 HydrophobicContact CG-CB 4.33Å; L215-F251 HydrophobicContact CB-CE2 4.41Å; L215-F251 HydrophobicContact CD1-CD1 4.32Å; L215-F251 HydrophobicContact CD1-CD2 3.68Å; L215-F251 HydrophobicContact CD1-CE1 3.96Å; L215-F251 HydrophobicContact CD1-CE2 3.24Å; L215-F251 HydrophobicContact CD1-CG 4.22Å; L215-F251 HydrophobicContact CD1-CZ 3.43Å; L215-F251 VanDerWaalsContact CD1-CZ 3.43Å; L215-F251 HydrophobicContact CD2-CE1 4.41Å; L215-F251 HydrophobicContact CD2-CE2 4.43Å; L215-F251 HydrophobicContact CD2-CZ 3.89Å; L215-F251 HydrophobicContact CG-CD2 4.34Å; L215-F251 HydrophobicContact CG-CE1 4.2Å; L215-F251 HydrophobicContact CG-CE2 3.42Å; L215-F251 VanDerWaalsContact CG-CE2 3.42Å; L215-F251 HydrophobicContact CG-CZ 3.35Å; L225-F251 HydrophobicContact CD1-CE1 4.37Å; L225-F251 HydrophobicContact CD1-CZ 3.7Å; F251-Q253 PolarHBondContact O-N 2.91Å; F251-Q253 PolarHBondContact O-NE2 2.75Å; F251-Y258 VanDerWaalsContact CA-O 3.28Å; F251-Y258 WeakPolarHBondContact CA-O 3.3Å; F251-V259 HydrophobicContact CD1-CG2 4.15Å; F251-V259 HydrophobicContact CE1-CG2 3.9Å; F251-I273 HydrophobicContact CD1-CD1 3.92Å; F251-I273 HydrophobicContact CE1-CD1 4.02Å; F251-C294 PolarHBondContact O-SG 3.38Å
252	T	97.3	Very high	96.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	17%	0.167	C	C	.	.			trans	-62	136.8	164.5	56.8	0	0	0	0	110.4	Q256 K257 Y258 V260	T252-Q256 PolarHBondContact OG1-O 3.23Å; T252-K257 WeakPolarHBondContact O-CD 3.28Å; T252-K257 PolarHBondContact O-NZ 3.43Å; T252-K257 WeakPolarHBondContact OG1-CA 3.16Å; T252-Y258 HydrophobicContact CG2-CD2 4.25Å; T252-Y258 PolarHBondContact N-O 3.39Å; T252-Y258 PolarHBondContact OG1-N 2.85Å; T252-V260 HydrophobicContact CG2-CG1 4.16Å
253	Q	94	Very high	96.5	Very high	64 Å²	64	32.9 Å²	32.9	30%	0.299	17%	0.167	S	C	.	.			trans	-96.1	-24.2	-174.7	-58.8	-57.4	-28.3	0	0	113.3	P209 F251 K257 C294 S295	P209-Q253 VanDerWaalsContact CG-OE1 3.23Å; F251-Q253 PolarHBondContact O-N 2.91Å; F251-Q253 PolarHBondContact O-NE2 2.75Å; Q253-K257 VanDerWaalsContact CA-NZ 3.27Å; Q253-K257 PolarHBondContact O-NZ 2.81Å; Q253-C294 HydrophobicContact CG-CB 4.28Å; Q253-S295 WeakPolarHBondContact CB-O 3.48Å
254	V	93.6	Very high	96.6	Very high	47 Å²	47	29.7 Å²	29.7	29%	0.285	15%	0.152	S	C	.	.	S	Bend	trans	-116.1	140	-179	-177.5	0	0	0	0	110.6	P296 K299	V254-P296 WeakPolarHBondContact CG2-O 3.38Å; V254-K299 HydrophobicContact CB-CG 4.26Å; V254-K299 HydrophobicContact CG1-CG 4.01Å
255	G	91.2	Very high	96.6	Very high	53 Å²	53	26.2 Å²	26.2	55%	0.546	14%	0.14	S	C	.	.	S	Bend	trans	74.6	-146.7	-179.8	0	0	0	0	0	113.6
256	Q	90.9	Very high	96.5	Very high	75 Å²	75	22.4 Å²	22.4	35%	0.35	13%	0.126	S	C	.	.	S	Bend	trans	-64.4	138	175.1	179.1	166	-14.7	0	0	110.4	T252 Y258 D272	T252-Q256 PolarHBondContact OG1-O 3.23Å; Q256-Y258 HydrophobicContact CB-CE2 3.7Å; Q256-Y258 HydrophobicContact CG-CD2 4.48Å; Q256-Y258 HydrophobicContact CG-CE1 4.08Å; Q256-Y258 HydrophobicContact CG-CE2 3.8Å; Q256-Y258 VanDerWaalsContact O-CD2 3.23Å; Q256-Y258 WeakPolarHBondContact O-CD2 3.5Å; Q256-Y258 WeakPolarHBondContact O-CE2 3.39Å; Q256-Y258 PolarHBondContact OE1-OH 3.47Å; Q256-D272 PolarHBondContact NE2-OD2 2.78Å; Q256-D272 VanDerWaalsContact NE2-OD2 3.13Å
257	K	93.6	Very high	96.6	Very high	75 Å²	75	25.2 Å²	25.2	33%	0.326	14%	0.135	S	C	.	.			trans	-82.6	119.1	-178.8	-57.9	-62	178.3	172.3	0	109.9	T252 Q253 I273	T252-K257 WeakPolarHBondContact O-CD 3.28Å; T252-K257 PolarHBondContact O-NZ 3.43Å; T252-K257 WeakPolarHBondContact OG1-CA 3.16Å; Q253-K257 VanDerWaalsContact CA-NZ 3.27Å; Q253-K257 PolarHBondContact O-NZ 2.81Å; K257-I273 HydrophobicContact CB-CD1 3.61Å; K257-I273 WeakPolarHBondContact O-CD1 3.33Å; K257-I273 WeakPolarHBondContact O-CG1 3.41Å
258	Y	97	Very high	96.6	Very high	16 Å²	16	25.2 Å²	25.2	6%	0.063	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	155	172.9	-59.3	-78.9	0	0	0	109.3	P18 F251 T252 Q256 M270 W271 D272 V279	P18-Y258 HydrophobicContact CB-CE2 4.2Å; P18-Y258 HydrophobicContact CG-CE1 4.3Å; P18-Y258 HydrophobicContact CG-CE2 4.14Å; F251-Y258 VanDerWaalsContact CA-O 3.28Å; F251-Y258 WeakPolarHBondContact CA-O 3.3Å; T252-Y258 HydrophobicContact CG2-CD2 4.25Å; T252-Y258 PolarHBondContact N-O 3.39Å; T252-Y258 PolarHBondContact OG1-N 2.85Å; Q256-Y258 HydrophobicContact CB-CE2 3.7Å; Q256-Y258 HydrophobicContact CG-CD2 4.48Å; Q256-Y258 HydrophobicContact CG-CE1 4.08Å; Q256-Y258 HydrophobicContact CG-CE2 3.8Å; Q256-Y258 VanDerWaalsContact O-CD2 3.23Å; Q256-Y258 WeakPolarHBondContact O-CD2 3.5Å; Q256-Y258 WeakPolarHBondContact O-CE2 3.39Å; Q256-Y258 PolarHBondContact OE1-OH 3.47Å; Y258-M270 HydrophobicContact CD1-CG 4.25Å; Y258-M270 HydrophobicContact CD1-SD 4.32Å; Y258-M270 HydrophobicContact CD2-SD 3.8Å; Y258-M270 HydrophobicContact CE2-SD 4.47Å; Y258-M270 HydrophobicContact CG-CG 3.88Å; Y258-M270 HydrophobicContact CG-SD 3.72Å; Y258-W271 WeakPolarHBondContact CA-O 3.36Å; Y258-W271 WeakPolarHBondContact CB-O 3.49Å; Y258-D272 HydrophobicContact CD1-CB 4.34Å; Y258-D272 HydrophobicContact CE1-CB 4.29Å; Y258-V279 HydrophobicContact CD1-CG2 3.78Å; Y258-V279 HydrophobicContact CE1-CG1 4.43Å; Y258-V279 HydrophobicContact CE1-CG2 3.88Å
259	V	98.2	Very high	96.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	136.3	163.2	177.4	0	0	0	0	107.8	L215 V223 F237 F251 M270 W271 I273	L215-V259 HydrophobicContact CD1-CG1 3.99Å; L215-V259 HydrophobicContact CD1-CG2 4.26Å; L215-V259 HydrophobicContact CD2-CG1 4.28Å; L215-V259 HydrophobicContact CD2-CG2 4.08Å; V223-V259 HydrophobicContact CG1-CG1 4.17Å; F237-V259 HydrophobicContact CD2-CB 4.46Å; F237-V259 HydrophobicContact CD2-CG1 4.29Å; F237-V259 HydrophobicContact CD2-CG2 4.21Å; F237-V259 HydrophobicContact CE1-CG2 4.21Å; F237-V259 HydrophobicContact CE2-CB 4.32Å; F237-V259 HydrophobicContact CE2-CG1 4.47Å; F237-V259 HydrophobicContact CE2-CG2 3.61Å; F237-V259 HydrophobicContact CZ-CB 4.38Å; F237-V259 HydrophobicContact CZ-CG2 3.6Å; F251-V259 HydrophobicContact CD1-CG2 4.15Å; F251-V259 HydrophobicContact CE1-CG2 3.9Å; V259-M270 CarbonylContact O-C 3.55Å; V259-M270 WeakPolarHBondContact O-CA 3.41Å; V259-W271 HydrophobicContact CB-CE3 4.4Å; V259-W271 HydrophobicContact CG1-CE3 4.2Å; V259-W271 PolarHBondContact N-O 2.76Å; V259-W271 PolarHBondContact O-N 2.97Å; V259-I273 HydrophobicContact CG2-CG1 4.03Å
260	V	98.4	Very high	96.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.1	173.9	-65.6	0	0	0	0	110.6	C249 T250 T252 Y269 M270 L292 C294 I301	C249-V260 CarbonylContact C-O 3.6Å; C249-V260 VanDerWaalsContact CA-O 3.22Å; C249-V260 WeakPolarHBondContact CA-O 3.41Å; T250-V260 HydrophobicContact CG2-CG2 3.68Å; T250-V260 PolarHBondContact N-O 3.29Å; T250-V260 WeakPolarHBondContact O-CG2 3.33Å; T250-V260 PolarHBondContact O-N 3Å; T252-V260 HydrophobicContact CG2-CG1 4.16Å; V260-Y269 VanDerWaalsContact CA-O 3.25Å; V260-Y269 WeakPolarHBondContact CA-O 3.37Å; V260-M270 HydrophobicContact CG1-CB 4.16Å; V260-M270 HydrophobicContact CG1-CE 3.91Å; V260-M270 HydrophobicContact CG1-CG 3.82Å; V260-M270 HydrophobicContact CG1-SD 4.42Å; V260-L292 HydrophobicContact CB-CD2 4.42Å; V260-L292 HydrophobicContact CG2-CD1 3.73Å; V260-L292 HydrophobicContact CG2-CD2 4.4Å; V260-C294 VanDerWaalsContact CG2-SG 3.56Å; V260-I301 HydrophobicContact CG1-CD1 3.92Å
261	S	98.6	Very high	96.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146	176.3	-172.9	0	0	0	0	110.2	Y269	S261-Y269 PolarHBondContact N-O 3.17Å; S261-Y269 PolarHBondContact O-N 2.94Å
262	G	98.1	Very high	96.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.			trans	-69.7	177.9	162.6	0	0	0	0	0	110.5	I247 A248 V289	I247-G262 VanDerWaalsContact CG2-C 3.4Å; I247-G262 WeakPolarHBondContact CG2-O 3.32Å; A248-G262 PolarHBondContact O-N 2.6Å; G262-V289 WeakPolarHBondContact CA-O 3.27Å
263	S	98.4	Very high	96.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.			trans	-156.6	152.9	176.3	-171	0	0	0	0	112.8	K241 D265 G266 Y267 L288 V289	K241-S263 WeakPolarHBondContact CA-OG 3.16Å; K241-S263 PolarHBondContact N-OG 3.11Å; K241-S263 WeakPolarHBondContact O-CA 3.34Å; K241-S263 PolarHBondContact O-OG 3.1Å; S263-D265 WeakPolarHBondContact CB-OD1 3.39Å; S263-D265 PolarHBondContact O-N 2.76Å; S263-D265 PolarHBondContact OG-OD1 3.07Å; S263-G266 PolarHBondContact O-N 3.09Å; S263-Y267 WeakPolarHBondContact CB-O 3.49Å; S263-Y267 PolarHBondContact N-O 3.04Å; S263-L288 VanDerWaalsContact O-CA 3.32Å; S263-L288 WeakPolarHBondContact O-CA 3.48Å; S263-V289 PolarHBondContact N-O 3.12Å; S263-V289 PolarHBondContact O-N 3.11Å
264	E	97.8	Very high	96.5	Very high	34 Å²	34	31.7 Å²	31.7	16%	0.159	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.7	173.7	-63.1	-175.5	-178.9	0	0	114.6	K241 E243 K244 Y245 I247 G266 L288	K241-E264 HydrophobicContact CB-CB 4.09Å; K241-E264 HydrophobicContact CD-CB 4.01Å; K241-E264 WeakPolarHBondContact CE-OE2 3.38Å; K241-E264 HydrophobicContact CG-CB 3.93Å; K241-E264 PolarHBondContact O-N 3.48Å; E243-E264 PolarHBondContact N-OE1 3.2Å; K244-E264 PolarHBondContact N-OE1 3.23Å; Y245-E264 HydrophobicContact CD2-CG 4.02Å; Y245-E264 WeakPolarHBondContact CD2-OE1 3.49Å; Y245-E264 PolarHBondContact N-OE1 2.81Å; I247-E264 HydrophobicContact CD1-CG 3.79Å; E264-G266 VanDerWaalsContact C-N 3.35Å; E264-L288 HydrophobicContact CB-CB 4.49Å
265	D	96.7	Very high	96.6	Very high	61 Å²	61	31.8 Å²	31.8	33%	0.326	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	4.1	176.5	66.9	5.3	0	0	0	113.6	S263 Y267 Y269	S263-D265 WeakPolarHBondContact CB-OD1 3.39Å; S263-D265 PolarHBondContact O-N 2.76Å; S263-D265 PolarHBondContact OG-OD1 3.07Å; D265-Y267 HydrophobicContact CB-CD2 4.28Å; D265-Y267 WeakPolarHBondContact O-CD2 3.39Å; D265-Y267 WeakPolarHBondContact OD1-CD2 3.44Å; D265-Y267 PolarHBondContact OD1-N 3.47Å; D265-Y267 VanDerWaalsContact OD1-N 3.12Å; D265-Y269 WeakPolarHBondContact OD2-CE2 3.26Å; D265-Y269 PolarHBondContact OD2-OH 2.94Å
266	G	96	Very high	96.9	Very high	4 Å²	4	34.6 Å²	34.6	4%	0.041	16%	0.162	C	C	.	.	S	Bend	trans	84.2	5.1	177.2	0	0	0	0	0	115.5	S263 E264 D287	S263-G266 PolarHBondContact O-N 3.09Å; E264-G266 VanDerWaalsContact C-N 3.35Å; G266-D287 VanDerWaalsContact CA-O 3.23Å; G266-D287 WeakPolarHBondContact CA-O 3.29Å
267	Y	97.8	Very high	97.2	Very high	75 Å²	75	37.5 Å²	37.5	29%	0.294	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	152.6	175	-66.8	-99.7	0	0	0	112.2	S263 D265 Y269 K281 M282 L283	S263-Y267 WeakPolarHBondContact CB-O 3.49Å; S263-Y267 PolarHBondContact N-O 3.04Å; D265-Y267 HydrophobicContact CB-CD2 4.28Å; D265-Y267 WeakPolarHBondContact O-CD2 3.39Å; D265-Y267 WeakPolarHBondContact OD1-CD2 3.44Å; D265-Y267 PolarHBondContact OD1-N 3.47Å; D265-Y267 VanDerWaalsContact OD1-N 3.12Å; Y267-Y269 HydrophobicContact CG-CE2 4.4Å; Y267-K281 HydrophobicContact CD1-CB 3.83Å; Y267-K281 HydrophobicContact CD1-CD 4.48Å; Y267-K281 HydrophobicContact CE1-CB 4.4Å; Y267-M282 WeakPolarHBondContact CA-O 3.42Å; Y267-L283 HydrophobicContact CD1-CB 3.94Å; Y267-L283 HydrophobicContact CD1-CD1 4.15Å; Y267-L283 HydrophobicContact CE1-CB 3.67Å; Y267-L283 HydrophobicContact CE1-CD1 3.78Å; Y267-L283 HydrophobicContact CE1-CD2 4.2Å; Y267-L283 HydrophobicContact CE1-CG 4.07Å; Y267-L283 HydrophobicContact CE2-CD1 4.13Å
268	V	98.3	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.9	156.8	-172.6	0	0	0	0	107.9	K281 M282 V289 L292 W315	V268-K281 WeakPolarHBondContact O-CA 3.41Å; V268-M282 HydrophobicContact CB-CB 4.14Å; V268-M282 HydrophobicContact CB-CE 3.65Å; V268-M282 HydrophobicContact CB-SD 4.38Å; V268-M282 HydrophobicContact CG1-CE 3.41Å; V268-M282 VanDerWaalsContact CG1-CE 3.41Å; V268-M282 PolarHBondContact N-O 3.11Å; V268-M282 PolarHBondContact O-N 3.22Å; V268-V289 HydrophobicContact CG2-CG1 4.06Å; V268-V289 HydrophobicContact CG2-CG2 4.13Å; V268-L292 HydrophobicContact CG1-CD2 3.86Å; V268-W315 HydrophobicContact CG2-CZ2 4.49Å
269	Y	98.6	Very high	97.4	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.02	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	143.2	179.7	-78.3	-105.2	0	0	0	110.8	G239 H240 V260 S261 D265 Y267 W271 I278 K281	G239-Y269 VanDerWaalsContact O-CE1 3.24Å; G239-Y269 WeakPolarHBondContact O-CE1 3.34Å; G239-Y269 PolarHBondContact O-OH 2.81Å; H240-Y269 HydrophobicContact CB-CD1 4.1Å; H240-Y269 HydrophobicContact CB-CD2 3.56Å; H240-Y269 HydrophobicContact CB-CE1 4.22Å; H240-Y269 HydrophobicContact CB-CE2 3.7Å; H240-Y269 HydrophobicContact CB-CG 3.8Å; V260-Y269 VanDerWaalsContact CA-O 3.25Å; V260-Y269 WeakPolarHBondContact CA-O 3.37Å; S261-Y269 PolarHBondContact N-O 3.17Å; S261-Y269 PolarHBondContact O-N 2.94Å; D265-Y269 WeakPolarHBondContact OD2-CE2 3.26Å; D265-Y269 PolarHBondContact OD2-OH 2.94Å; Y267-Y269 HydrophobicContact CG-CE2 4.4Å; Y269-W271 VanDerWaalsContact CB-CZ3 3.42Å; Y269-W271 HydrophobicContact CD1-CH2 4.29Å; Y269-W271 AromaticContact CD1-CZ2 3.88Å; Y269-W271 HydrophobicContact CD1-CZ2 3.88Å; Y269-W271 AromaticContact CG-CH2 3.87Å; Y269-W271 HydrophobicContact CG-CH2 3.87Å; Y269-W271 AromaticContact CG-CZ2 3.94Å; Y269-W271 HydrophobicContact CG-CZ2 3.94Å; Y269-I278 HydrophobicContact CD1-CD1 3.85Å; Y269-I278 HydrophobicContact CD1-CG1 4.22Å; Y269-I278 HydrophobicContact CD1-CG2 4.27Å; Y269-I278 HydrophobicContact CE1-CD1 3.85Å; Y269-K281 HydrophobicContact CD1-CD 4.28Å; Y269-K281 HydrophobicContact CD1-CG 4.11Å; Y269-K281 HydrophobicContact CE1-CD 3.69Å; Y269-K281 HydrophobicContact CE1-CG 4.04Å; Y269-K281 VanDerWaalsContact CE1-NZ 3.34Å; Y269-K281 PolarHBondContact OH-NZ 3.44Å
270	M	98.4	Very high	97.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.2	173.9	-169.4	174.5	-47.4	0	0	110.4	P18 Y20 Y258 V259 V260 I278 V279 Q280 M282 I301	P18-M270 HydrophobicContact CB-SD 3.99Å; P18-M270 HydrophobicContact CG-SD 3.64Å; Y20-M270 HydrophobicContact CD2-CE 3.43Å; Y20-M270 VanDerWaalsContact CD2-CE 3.43Å; Y20-M270 HydrophobicContact CD2-SD 4.31Å; Y20-M270 HydrophobicContact CE2-CE 3.55Å; Y20-M270 HydrophobicContact CE2-SD 4.14Å; Y20-M270 HydrophobicContact CG-CE 4.08Å; Y258-M270 HydrophobicContact CD1-CG 4.25Å; Y258-M270 HydrophobicContact CD1-SD 4.32Å; Y258-M270 HydrophobicContact CD2-SD 3.8Å; Y258-M270 HydrophobicContact CE2-SD 4.47Å; Y258-M270 HydrophobicContact CG-CG 3.88Å; Y258-M270 HydrophobicContact CG-SD 3.72Å; V259-M270 CarbonylContact O-C 3.55Å; V259-M270 WeakPolarHBondContact O-CA 3.41Å; V260-M270 HydrophobicContact CG1-CB 4.16Å; V260-M270 HydrophobicContact CG1-CE 3.91Å; V260-M270 HydrophobicContact CG1-CG 3.82Å; V260-M270 HydrophobicContact CG1-SD 4.42Å; M270-I278 CarbonylContact O-C 3.55Å; M270-I278 WeakPolarHBondContact O-CA 3.31Å; M270-V279 HydrophobicContact CB-CG2 4.09Å; M270-V279 HydrophobicContact CG-CG2 3.76Å; M270-V279 WeakPolarHBondContact O-CG2 3.5Å; M270-V279 PolarHBondContact O-N 2.9Å; M270-V279 HydrophobicContact SD-CG2 4.21Å; M270-Q280 HydrophobicContact CB-CB 4.29Å; M270-Q280 PolarHBondContact N-O 3.44Å; M270-Q280 PolarHBondContact O-N 3.29Å; M270-M282 HydrophobicContact CE-CE 3.73Å; M270-I301 HydrophobicContact CE-CD1 3.49Å; M270-I301 VanDerWaalsContact CE-CD1 3.49Å
271	W	98.5	Very high	97.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.5	178.2	-60.4	-98.8	0	0	0	111.5	F237 V238 H240 Y258 V259 Y269 I273 E277 I278	F237-W271 HydrophobicContact CB-CD2 3.92Å; F237-W271 HydrophobicContact CB-CE3 4.48Å; F237-W271 HydrophobicContact CB-CG 3.95Å; F237-W271 HydrophobicContact CD1-CB 3.52Å; F237-W271 AromaticContact CD1-CG 3.79Å; F237-W271 HydrophobicContact CD1-CG 3.79Å; F237-W271 HydrophobicContact CE1-CB 4.05Å; F237-W271 HydrophobicContact CG-CB 4.29Å; F237-W271 HydrophobicContact CG-CD2 4.48Å; F237-W271 HydrophobicContact CG-CG 4.2Å; V238-W271 PolarHBondContact O-NE1 3.32Å; H240-W271 HydrophobicContact CB-CH2 3.93Å; H240-W271 HydrophobicContact CB-CZ2 3.96Å; H240-W271 AromaticContact CG-CH2 3.89Å; H240-W271 AromaticContact ND1-CH2 3.77Å; H240-W271 AromaticContact ND1-CZ2 3.71Å; Y258-W271 WeakPolarHBondContact CA-O 3.36Å; Y258-W271 WeakPolarHBondContact CB-O 3.49Å; V259-W271 HydrophobicContact CB-CE3 4.4Å; V259-W271 HydrophobicContact CG1-CE3 4.2Å; V259-W271 PolarHBondContact N-O 2.76Å; V259-W271 PolarHBondContact O-N 2.97Å; Y269-W271 VanDerWaalsContact CB-CZ3 3.42Å; Y269-W271 HydrophobicContact CD1-CH2 4.29Å; Y269-W271 AromaticContact CD1-CZ2 3.88Å; Y269-W271 HydrophobicContact CD1-CZ2 3.88Å; Y269-W271 AromaticContact CG-CH2 3.87Å; Y269-W271 HydrophobicContact CG-CH2 3.87Å; Y269-W271 AromaticContact CG-CZ2 3.94Å; Y269-W271 HydrophobicContact CG-CZ2 3.94Å; W271-I273 PolarHBondContact O-N 2.82Å; W271-E277 VanDerWaalsContact CA-O 3.25Å; W271-E277 WeakPolarHBondContact CA-O 3.4Å; W271-I278 HydrophobicContact CG-CG1 4.4Å
272	D	96.6	Very high	97.3	Very high	22 Å²	22	44.7 Å²	44.7	12%	0.118	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.6	163.9	171.6	-101.8	0	0	0	109.7	Q256 Y258 K274 S275 K276 E277 V279	Q256-D272 PolarHBondContact NE2-OD2 2.78Å; Q256-D272 VanDerWaalsContact NE2-OD2 3.13Å; Y258-D272 HydrophobicContact CD1-CB 4.34Å; Y258-D272 HydrophobicContact CE1-CB 4.29Å; D272-K274 VanDerWaalsContact C-N 3.27Å; D272-K274 PolarHBondContact O-N 3.38Å; D272-K274 WeakPolarHBondContact OD1-CA 3.43Å; D272-K274 WeakPolarHBondContact OD1-CB 3.32Å; D272-K274 PolarHBondContact OD1-N 2.89Å; D272-S275 WeakPolarHBondContact CB-OG 3.43Å; D272-S275 WeakPolarHBondContact OD1-CB 3.19Å; D272-S275 PolarHBondContact OD1-N 3.29Å; D272-S275 PolarHBondContact OD1-OG 3.08Å; D272-K276 WeakPolarHBondContact O-CA 3.38Å; D272-K276 PolarHBondContact O-N 2.9Å; D272-E277 PolarHBondContact N-O 2.89Å; D272-V279 HydrophobicContact CB-CG1 3.64Å
273	I	95.8	Very high	97.1	Very high	32 Å²	32	49.9 Å²	49.9	16%	0.164	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-40.6	-175.4	-63.4	172.8	0	0	0	109.7	R235 F251 K257 V259 W271	R235-I273 WeakPolarHBondContact CD-O 3.33Å; R235-I273 PolarHBondContact NE-O 3.1Å; R235-I273 VanDerWaalsContact NE-O 3.12Å; R235-I273 PolarHBondContact NH1-O 2.77Å; F251-I273 HydrophobicContact CD1-CD1 3.92Å; F251-I273 HydrophobicContact CE1-CD1 4.02Å; K257-I273 HydrophobicContact CB-CD1 3.61Å; K257-I273 WeakPolarHBondContact O-CD1 3.33Å; K257-I273 WeakPolarHBondContact O-CG1 3.41Å; V259-I273 HydrophobicContact CG2-CG1 4.03Å; W271-I273 PolarHBondContact O-N 2.82Å
274	K	94.2	Very high	96.7	Very high	167 Å²	167	51.2 Å²	51.2	73%	0.726	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-46.8	-170.5	-71.1	-176.3	-177.7	176.5	0	113.9	R235 D272	R235-K274 VanDerWaalsContact NH1-CA 3.28Å; R235-K274 PolarHBondContact NH1-O 3.36Å; D272-K274 VanDerWaalsContact C-N 3.27Å; D272-K274 PolarHBondContact O-N 3.38Å; D272-K274 WeakPolarHBondContact OD1-CA 3.43Å; D272-K274 WeakPolarHBondContact OD1-CB 3.32Å; D272-K274 PolarHBondContact OD1-N 2.89Å
275	S	95.6	Very high	96.6	Very high	49 Å²	49	50.1 Å²	50.1	34%	0.343	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-27	179.2	59.9	0	0	0	0	112.3	D272 E277	D272-S275 WeakPolarHBondContact CB-OG 3.43Å; D272-S275 WeakPolarHBondContact OD1-CB 3.19Å; D272-S275 PolarHBondContact OD1-N 3.29Å; D272-S275 PolarHBondContact OD1-OG 3.08Å; S275-E277 PolarHBondContact O-N 2.77Å; S275-E277 PolarHBondContact OG-N 2.96Å
276	K	97.2	Very high	96.4	Very high	111 Å²	111	55.6 Å²	55.6	48%	0.483	27%	0.271	S	S	.	.			trans	67.3	9.3	-170	-45.7	162.4	-71.6	174.9	0	113.2	F237 D272	F237-K276 HydrophobicContact CD1-CB 4.15Å; F237-K276 HydrophobicContact CE1-CB 4.26Å; F237-K276 HydrophobicContact CE1-CG 4.25Å; D272-K276 WeakPolarHBondContact O-CA 3.38Å; D272-K276 PolarHBondContact O-N 2.9Å
277	E	97.3	Very high	96.3	Very high	137 Å²	137	58.4 Å²	58.4	64%	0.64	29%	0.285	S	S	*	.			trans	-77.5	147	177.8	-66.5	-178.2	172.7	0	0	110.5	W271 D272 S275 V279	W271-E277 VanDerWaalsContact CA-O 3.25Å; W271-E277 WeakPolarHBondContact CA-O 3.4Å; D272-E277 PolarHBondContact N-O 2.89Å; S275-E277 PolarHBondContact O-N 2.77Å; S275-E277 PolarHBondContact OG-N 2.96Å; E277-V279 PolarHBondContact O-N 3.19Å
278	I	97.9	Very high	96.2	Very high	62 Å²	62	55.2 Å²	55.2	32%	0.318	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	113.1	171.1	-63	163.6	0	0	0	107	Y269 M270 W271 K281	Y269-I278 HydrophobicContact CD1-CD1 3.85Å; Y269-I278 HydrophobicContact CD1-CG1 4.22Å; Y269-I278 HydrophobicContact CD1-CG2 4.27Å; Y269-I278 HydrophobicContact CE1-CD1 3.85Å; M270-I278 CarbonylContact O-C 3.55Å; M270-I278 WeakPolarHBondContact O-CA 3.31Å; W271-I278 HydrophobicContact CG-CG1 4.4Å; I278-K281 HydrophobicContact CG2-CG 3.72Å
279	V	97.2	Very high	96.2	Very high	49 Å²	49	55.2 Å²	55.2	30%	0.297	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-25.2	179.3	-66.6	0	0	0	0	112.4	P18 Y258 M270 D272 E277	P18-V279 HydrophobicContact CG-CB 4.25Å; P18-V279 HydrophobicContact CG-CG2 3.71Å; Y258-V279 HydrophobicContact CD1-CG2 3.78Å; Y258-V279 HydrophobicContact CE1-CG1 4.43Å; Y258-V279 HydrophobicContact CE1-CG2 3.88Å; M270-V279 HydrophobicContact CB-CG2 4.09Å; M270-V279 HydrophobicContact CG-CG2 3.76Å; M270-V279 WeakPolarHBondContact O-CG2 3.5Å; M270-V279 PolarHBondContact O-N 2.9Å; M270-V279 HydrophobicContact SD-CG2 4.21Å; D272-V279 HydrophobicContact CB-CG1 3.64Å; E277-V279 PolarHBondContact O-N 3.19Å
280	Q	97.6	Very high	96.2	Very high	29 Å²	29	56.8 Å²	56.8	14%	0.136	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	146.4	176.2	-158.4	178.1	3	0	0	111.1	P18 Y20 M270	P18-Q280 HydrophobicContact CG-CB 4.5Å; P18-Q280 PolarHBondContact O-OE1 3.15Å; Y20-Q280 PolarHBondContact O-NE2 2.58Å; M270-Q280 HydrophobicContact CB-CB 4.29Å; M270-Q280 PolarHBondContact N-O 3.44Å; M270-Q280 PolarHBondContact O-N 3.29Å
281	K	97.6	Very high	96.1	Very high	99 Å²	99	57 Å²	57	43%	0.43	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.6	164.9	-58	-171.1	-176.3	-159.9	0	108.3	Y267 V268 Y269 I278	Y267-K281 HydrophobicContact CD1-CB 3.83Å; Y267-K281 HydrophobicContact CD1-CD 4.48Å; Y267-K281 HydrophobicContact CE1-CB 4.4Å; V268-K281 WeakPolarHBondContact O-CA 3.41Å; Y269-K281 HydrophobicContact CD1-CD 4.28Å; Y269-K281 HydrophobicContact CD1-CG 4.11Å; Y269-K281 HydrophobicContact CE1-CD 3.69Å; Y269-K281 HydrophobicContact CE1-CG 4.04Å; Y269-K281 VanDerWaalsContact CE1-NZ 3.34Å; Y269-K281 PolarHBondContact OH-NZ 3.44Å; I278-K281 HydrophobicContact CG2-CG 3.72Å
282	M	97.6	Very high	96.1	Very high	3 Å²	3	57 Å²	57	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.6	177.7	-65.4	161.8	-88.3	0	0	109.1	Y20 Y267 V268 M270 I301 W315	Y20-M282 VanDerWaalsContact CB-SD 3.53Å; Y20-M282 HydrophobicContact CG-SD 4.16Å; Y267-M282 WeakPolarHBondContact CA-O 3.42Å; V268-M282 HydrophobicContact CB-CB 4.14Å; V268-M282 HydrophobicContact CB-CE 3.65Å; V268-M282 HydrophobicContact CB-SD 4.38Å; V268-M282 HydrophobicContact CG1-CE 3.41Å; V268-M282 VanDerWaalsContact CG1-CE 3.41Å; V268-M282 PolarHBondContact N-O 3.11Å; V268-M282 PolarHBondContact O-N 3.22Å; M270-M282 HydrophobicContact CE-CE 3.73Å; M282-I301 HydrophobicContact CE-CD1 3.83Å; M282-I301 HydrophobicContact SD-CD1 4.22Å; M282-W315 HydrophobicContact CB-CD2 3.97Å; M282-W315 HydrophobicContact CB-CE3 3.74Å; M282-W315 HydrophobicContact CB-CH2 3.97Å; M282-W315 HydrophobicContact CB-CZ2 4.18Å; M282-W315 HydrophobicContact CB-CZ3 3.74Å; M282-W315 HydrophobicContact CG-CD2 4.2Å; M282-W315 HydrophobicContact CG-CE3 4Å; M282-W315 HydrophobicContact CG-CZ3 4.44Å; M282-W315 HydrophobicContact SD-CB 3.81Å; M282-W315 HydrophobicContact SD-CD2 3.83Å; M282-W315 HydrophobicContact SD-CE3 4.18Å; M282-W315 HydrophobicContact SD-CG 3.64Å
283	L	94.1	Very high	96.2	Very high	108 Å²	108	58.5 Å²	58.5	57%	0.565	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.9	179.7	179.6	60.9	0	0	0	110.2	Y267 W315	Y267-L283 HydrophobicContact CD1-CB 3.94Å; Y267-L283 HydrophobicContact CD1-CD1 4.15Å; Y267-L283 HydrophobicContact CE1-CB 3.67Å; Y267-L283 HydrophobicContact CE1-CD1 3.78Å; Y267-L283 HydrophobicContact CE1-CD2 4.2Å; Y267-L283 HydrophobicContact CE1-CG 4.07Å; Y267-L283 HydrophobicContact CE2-CD1 4.13Å; L283-W315 WeakPolarHBondContact O-CH2 3.42Å
284	G	90.2	Very high	96.3	Very high	28 Å²	28	57.1 Å²	57.1	29%	0.289	28%	0.283	S	S	.	.			trans	173.5	-20.8	172.2	0	0	0	0	0	115	K313	G284-K313 WeakPolarHBondContact O-CE 3.2Å; G284-K313 PolarHBondContact O-NZ 3.08Å
285	H	95.5	Very high	96.5	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.056	25%	0.249	C	C	.	.			trans	-71.6	147.5	171	-77.4	-72.7	0	0	0	111.1	D287 V289 S303 D309 T311	H285-D287 WeakPolarHBondContact CB-O 3.49Å; H285-V289 HydrophobicContact CB-CG2 4.11Å; H285-S303 PolarHBondContact CD2-OG 2.91Å; H285-S303 PolarHBondContact NE2-O 2.9Å; H285-S303 PolarHBondContact NE2-OG 3.06Å; H285-D309 WeakPolarHBondContact CA-OD2 3.47Å; H285-D309 VanDerWaalsContact CB-OD2 3.24Å; H285-D309 WeakPolarHBondContact CB-OD2 3.45Å; H285-D309 IonicContact CE1-OD2 3.16Å; H285-D309 IonicContact CG-OD2 3.94Å; H285-D309 IonicContact ND1-OD2 3.57Å; H285-D309 PolarHBondContact ND1-OD2 2.84Å; H285-T311 PolarHBondContact CE1-O 3.48Å
286	K	92.8	Very high	96.5	Very high	176 Å²	176	49.3 Å²	49.3	77%	0.765	25%	0.248	S	C	*	.	S	Bend	trans	-86.7	-15.3	179.3	-65.3	177.5	-175.8	167.2	0	113	D309	K286-D309 HydrophobicContact CB-CB 4.4Å; K286-D309 PolarHBondContact N-OD2 3.32Å
287	D	93.7	Very high	96.5	Very high	62 Å²	62	48 Å²	48	33%	0.332	25%	0.25	S	C	.	.	S	Bend	trans	-145.7	-174.1	180	-154.1	-29	0	0	0	108.7	G266 H285 P306 S308	G266-D287 VanDerWaalsContact CA-O 3.23Å; G266-D287 WeakPolarHBondContact CA-O 3.29Å; H285-D287 WeakPolarHBondContact CB-O 3.49Å; D287-P306 HydrophobicContact CB-CG 4.04Å; D287-S308 WeakPolarHBondContact CB-OG 3.26Å; D287-S308 VanDerWaalsContact OD2-CB 3.25Å; D287-S308 WeakPolarHBondContact OD2-CB 3.29Å; D287-S308 PolarHBondContact OD2-OG 3.09Å
288	L	96.2	Very high	96.4	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.047	23%	0.234	C	C	.	.			trans	-51.8	145.6	-177.9	71.2	99.8	0	0	0	113.5	Y245 S263 E264 L290 G305 P306	Y245-L288 HydrophobicContact CD2-CD1 4.39Å; Y245-L288 HydrophobicContact CD2-CD2 3.73Å; Y245-L288 HydrophobicContact CE1-CD2 4.45Å; Y245-L288 HydrophobicContact CE2-CD2 3.38Å; Y245-L288 HydrophobicContact CG-CD1 4.48Å; Y245-L288 HydrophobicContact CG-CD2 4.39Å; S263-L288 VanDerWaalsContact O-CA 3.32Å; S263-L288 WeakPolarHBondContact O-CA 3.48Å; E264-L288 HydrophobicContact CB-CB 4.49Å; L288-L290 HydrophobicContact CD1-CB 3.8Å; L288-L290 HydrophobicContact CD1-CD1 4.26Å; L288-G305 WeakPolarHBondContact O-CA 3.39Å; L288-P306 HydrophobicContact CD1-CG 4.31Å; L288-P306 HydrophobicContact CD2-CG 4.05Å; L288-P306 HydrophobicContact CG-CG 3.74Å; L288-P306 WeakPolarHBondContact O-CD 3.37Å
289	V	97.9	Very high	96.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.			trans	-93.8	108.1	171.7	-170.5	0	0	0	0	108.6	I247 G262 S263 V268 H285	I247-V289 WeakPolarHBondContact CG2-O 3.34Å; G262-V289 WeakPolarHBondContact CA-O 3.27Å; S263-V289 PolarHBondContact N-O 3.12Å; S263-V289 PolarHBondContact O-N 3.11Å; V268-V289 HydrophobicContact CG2-CG1 4.06Å; V268-V289 HydrophobicContact CG2-CG2 4.13Å; H285-V289 HydrophobicContact CB-CG2 4.11Å
290	L	97.5	Very high	96.4	Very high	38 Å²	38	42.3 Å²	42.3	20%	0.199	22%	0.224	C	C	.	.			trans	-85.9	-45.8	-176	-176.1	62.5	0	0	0	111.7	C246 I247 A248 L288 G304	C246-L290 WeakPolarHBondContact O-CD1 3.14Å; I247-L290 WeakPolarHBondContact CA-O 3.24Å; A248-L290 PolarHBondContact N-O 3.37Å; L288-L290 HydrophobicContact CD1-CB 3.8Å; L288-L290 HydrophobicContact CD1-CD1 4.26Å; L290-G304 PolarHBondContact N-O 2.9Å
291	S	97.6	Very high	96.4	Very high	4 Å²	4	41 Å²	41	3%	0.028	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.8	-174.2	-171.4	0	0	0	0	111.1	S34 S35 V36 S303 G304	S34-S291 WeakPolarHBondContact O-CB 3.49Å; S35-S291 VanDerWaalsContact CA-OG 3.31Å; S35-S291 WeakPolarHBondContact CA-OG 3.45Å; V36-S291 PolarHBondContact N-OG 3.49Å; S291-S303 CarbonylContact O-C 3.54Å; S291-S303 VanDerWaalsContact O-CA 3.27Å; S291-S303 WeakPolarHBondContact O-CA 3.16Å; S291-G304 PolarHBondContact N-O 3.19Å; S291-G304 PolarHBondContact O-N 2.98Å
292	L	98	Very high	96.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	162.3	167.4	62.5	77.6	0	0	0	111.6	A248 T250 V260 V268 A302	A248-L292 HydrophobicContact CB-CG 4.29Å; T250-L292 HydrophobicContact CG2-CD1 3.56Å; V260-L292 HydrophobicContact CB-CD2 4.42Å; V260-L292 HydrophobicContact CG2-CD1 3.73Å; V260-L292 HydrophobicContact CG2-CD2 4.4Å; V268-L292 HydrophobicContact CG1-CD2 3.86Å; L292-A302 CarbonylContact C-O 3.52Å; L292-A302 WeakPolarHBondContact CA-O 3.32Å; L292-A302 VanDerWaalsContact CB-O 3.23Å; L292-A302 WeakPolarHBondContact CB-O 3.31Å
293	H	98.4	Very high	96.5	Very high	52 Å²	52	36.1 Å²	36.1	24%	0.241	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	145.2	170.8	-164.4	-101.4	0	0	0	110.4	V36 K37 F38 I301 A302	V36-H293 VanDerWaalsContact O-CB 3.31Å; V36-H293 WeakPolarHBondContact O-CB 3.38Å; K37-H293 HydrophobicContact CD-CB 4.3Å; K37-H293 WeakPolarHBondContact CD-CD2 3.44Å; F38-H293 HydrophobicContact CD2-CB 4.3Å; F38-H293 AromaticContact CD2-ND1 3.68Å; F38-H293 VanDerWaalsContact CE2-O 3.31Å; F38-H293 WeakPolarHBondContact CE2-O 3.23Å; F38-H293 PolarHBondContact N-ND1 3.19Å; H293-I301 WeakPolarHBondContact O-CA 3.49Å; H293-A302 PolarHBondContact N-O 3.42Å; H293-A302 PolarHBondContact O-N 3.49Å
294	C	98.2	Very high	96.7	Very high	4 Å²	4	31 Å²	31	3%	0.027	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	141.1	173.4	-65.7	0	0	0	0	110.3	T250 F251 Q253 V260 L300	T250-C294 HydrophobicContact CG2-CB 4.44Å; F251-C294 PolarHBondContact O-SG 3.38Å; Q253-C294 HydrophobicContact CG-CB 4.28Å; V260-C294 VanDerWaalsContact CG2-SG 3.56Å; C294-L300 WeakPolarHBondContact CA-O 3.5Å
295	S	97.9	Very high	96.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	16%	0.156	C	C	.	.			trans	-68	137.2	174.3	170	0	0	0	0	110.4	Q253 T297 A298 L300	Q253-S295 WeakPolarHBondContact CB-O 3.48Å; S295-T297 VanDerWaalsContact C-N 3.31Å; S295-T297 PolarHBondContact OG-N 3.24Å; S295-A298 WeakPolarHBondContact CB-O 3.45Å; S295-A298 PolarHBondContact OG-N 2.83Å; S295-L300 PolarHBondContact N-O 2.93Å
296	P	96.2	Very high	96.7	Very high	51 Å²	51	30.6 Å²	30.6	33%	0.331	16%	0.163	S	C	.	.	S	Bend	trans	-72.8	-22.3	177.1	28.3	-32.8	0	0	0	113.3	S39 P40 V254	S39-P296 WeakPolarHBondContact O-CG 3.22Å; P40-P296 WeakPolarHBondContact O-CG 3.48Å; V254-P296 WeakPolarHBondContact CG2-O 3.38Å
297	T	96.4	Very high	96.6	Very high	84 Å²	84	27.8 Å²	27.8	52%	0.515	15%	0.153	S	C	.	.	S	Bend	trans	-115.5	-18.4	-170.7	57.8	0	0	0	0	113.9	G42 S295	G42-T297 WeakPolarHBondContact CA-OG1 3.22Å; S295-T297 VanDerWaalsContact C-N 3.31Å; S295-T297 PolarHBondContact OG-N 3.24Å
298	A	96.4	Very high	96.5	Very high	37 Å²	37	28.2 Å²	28.2	31%	0.306	16%	0.161	S	C	.	.	S	Bend	trans	-132.2	159.7	179.4	0	0	0	0	0	111.5	S295 L300	S295-A298 WeakPolarHBondContact CB-O 3.45Å; S295-A298 PolarHBondContact OG-N 2.83Å; A298-L300 HydrophobicContact CB-CD1 3.97Å; A298-L300 HydrophobicContact CB-CG 3.81Å; A298-L300 PolarHBondContact O-N 2.8Å
299	K	96.9	Very high	96.2	Very high	72 Å²	72	28.4 Å²	28.4	31%	0.313	16%	0.162	S	C	.	.	S	Bend	trans	-75	63.2	171	-60.4	-173.7	-173.9	173.6	0	110.7	Y20 V254 D317 D319	Y20-K299 VanDerWaalsContact CE1-O 3.22Å; Y20-K299 WeakPolarHBondContact CE1-O 3.49Å; V254-K299 HydrophobicContact CB-CG 4.26Å; V254-K299 HydrophobicContact CG1-CG 4.01Å; K299-D317 HydrophobicContact CB-CB 3.69Å; K299-D317 HydrophobicContact CD-CB 3.65Å; K299-D317 WeakPolarHBondContact CD-OD2 3.22Å; K299-D317 WeakPolarHBondContact CE-OD2 3.32Å; K299-D317 HydrophobicContact CG-CB 4.41Å; K299-D317 IonicContact NZ-OD2 3.69Å; K299-D317 PolarHBondContact NZ-OD2 3.18Å; K299-D317 PolarHBondContact O-N 3.3Å; K299-D317 VanDerWaalsContact O-N 3.08Å; K299-D319 PolarHBondContact NZ-O 2.84Å
300	L	97.5	Very high	95.8	Very high	19 Å²	19	29.5 Å²	29.5	10%	0.099	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.6	178.8	-57.7	175.5	0	0	0	110.8	K23 F38 C294 S295 A298 V314 W315 A316	K23-L300 HydrophobicContact CD-CD2 4.34Å; F38-L300 HydrophobicContact CE1-CB 4.43Å; F38-L300 HydrophobicContact CE1-CD1 4.3Å; F38-L300 HydrophobicContact CE2-CB 4.46Å; F38-L300 HydrophobicContact CZ-CB 3.84Å; F38-L300 HydrophobicContact CZ-CD1 4.47Å; C294-L300 WeakPolarHBondContact CA-O 3.5Å; S295-L300 PolarHBondContact N-O 2.93Å; A298-L300 HydrophobicContact CB-CD1 3.97Å; A298-L300 HydrophobicContact CB-CG 3.81Å; A298-L300 PolarHBondContact O-N 2.8Å; L300-V314 HydrophobicContact CB-CG1 4.44Å; L300-V314 HydrophobicContact CD2-CG1 4.37Å; L300-W315 CarbonylContact C-O 3.53Å; L300-W315 WeakPolarHBondContact CA-O 3.37Å; L300-A316 HydrophobicContact CD2-CB 3.42Å; L300-A316 VanDerWaalsContact CD2-CB 3.42Å
301	I	98.2	Very high	95.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.1	169.2	-61.3	167.3	0	0	0	106.9	Y20 V260 M270 M282 H293 V314 W315	Y20-I301 HydrophobicContact CD1-CD1 3.76Å; Y20-I301 HydrophobicContact CD1-CG1 4.04Å; Y20-I301 HydrophobicContact CD2-CD1 4.46Å; Y20-I301 HydrophobicContact CE1-CB 4.42Å; Y20-I301 HydrophobicContact CE1-CD1 3.6Å; Y20-I301 HydrophobicContact CE1-CG1 3.62Å; Y20-I301 HydrophobicContact CE2-CD1 4.34Å; Y20-I301 HydrophobicContact CG-CD1 4.19Å; V260-I301 HydrophobicContact CG1-CD1 3.92Å; M270-I301 HydrophobicContact CE-CD1 3.49Å; M270-I301 VanDerWaalsContact CE-CD1 3.49Å; M282-I301 HydrophobicContact CE-CD1 3.83Å; M282-I301 HydrophobicContact SD-CD1 4.22Å; H293-I301 WeakPolarHBondContact O-CA 3.49Å; I301-V314 CarbonylContact O-C 3.53Å; I301-V314 WeakPolarHBondContact O-CA 3.5Å; I301-W315 HydrophobicContact CB-CB 4.32Å; I301-W315 PolarHBondContact N-O 3.49Å; I301-W315 VanDerWaalsContact O-CD1 3.25Å; I301-W315 PolarHBondContact O-N 3.18Å
302	A	98.4	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.7	168.1	0	0	0	0	0	108.5	V36 F38 L45 L292 H293 K313	V36-A302 HydrophobicContact CG2-CB 4.12Å; F38-A302 HydrophobicContact CD2-CB 4.35Å; F38-A302 HydrophobicContact CE2-CB 3.54Å; F38-A302 HydrophobicContact CZ-CB 3.76Å; L45-A302 HydrophobicContact CD1-CB 3.54Å; L45-A302 HydrophobicContact CD2-CB 3.84Å; L45-A302 HydrophobicContact CG-CB 4.38Å; L292-A302 CarbonylContact C-O 3.52Å; L292-A302 WeakPolarHBondContact CA-O 3.32Å; L292-A302 VanDerWaalsContact CB-O 3.23Å; L292-A302 WeakPolarHBondContact CB-O 3.31Å; H293-A302 PolarHBondContact N-O 3.42Å; H293-A302 PolarHBondContact O-N 3.49Å; A302-K313 CarbonylContact C-O 3.55Å; A302-K313 VanDerWaalsContact CA-O 3.3Å; A302-K313 WeakPolarHBondContact CA-O 3.36Å
303	S	98.5	Very high	95.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	146	177.3	63.1	0	0	0	0	111.6	H285 S291 I312 K313 W315	H285-S303 PolarHBondContact CD2-OG 2.91Å; H285-S303 PolarHBondContact NE2-O 2.9Å; H285-S303 PolarHBondContact NE2-OG 3.06Å; S291-S303 CarbonylContact O-C 3.54Å; S291-S303 VanDerWaalsContact O-CA 3.27Å; S291-S303 WeakPolarHBondContact O-CA 3.16Å; S303-I312 CarbonylContact O-C 3.57Å; S303-I312 VanDerWaalsContact O-CA 3.27Å; S303-I312 WeakPolarHBondContact O-CA 3.37Å; S303-I312 WeakPolarHBondContact O-CG2 3.25Å; S303-K313 PolarHBondContact N-O 3.05Å; S303-K313 PolarHBondContact O-N 2.58Å; S303-W315 PolarHBondContact OG-NE1 3.07Å
304	G	97.7	Very high	95.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	162.3	-179.6	0	0	0	0	0	111.5	L290 S291	L290-G304 PolarHBondContact N-O 2.9Å; S291-G304 PolarHBondContact N-O 3.19Å; S291-G304 PolarHBondContact O-N 2.98Å
305	G	93.4	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.154	C	C	.	.			trans	-152.2	-169.8	-171.5	0	0	0	0	0	113.9	I33 L288	I33-G305 PolarHBondContact N-O 2.68Å; L288-G305 WeakPolarHBondContact O-CA 3.39Å
306	P	92.8	Very high	95.7	Very high	32 Å²	32	27.3 Å²	27.3	21%	0.208	16%	0.16	C	C	.	.			trans	-70.9	179.3	-172.8	33.9	-38.7	0	0	0	113	G32 D287 L288 S308 D309 S310	G32-P306 VanDerWaalsContact CA-C 3.46Å; D287-P306 HydrophobicContact CB-CG 4.04Å; L288-P306 HydrophobicContact CD1-CG 4.31Å; L288-P306 HydrophobicContact CD2-CG 4.05Å; L288-P306 HydrophobicContact CG-CG 3.74Å; L288-P306 WeakPolarHBondContact O-CD 3.37Å; P306-S308 PolarHBondContact O-N 3.29Å; P306-D309 PolarHBondContact O-N 3.29Å; P306-D309 VanDerWaalsContact O-N 3.14Å; P306-S310 PolarHBondContact O-N 2.8Å
307	E	90.7	Very high	95.6	Very high	117 Å²	117	26.2 Å²	26.2	55%	0.547	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.1	-172.1	-176.5	163.4	-177.5	0	0	114.4	G32 D309 S310	G32-E307 VanDerWaalsContact CA-N 3.3Å; E307-D309 VanDerWaalsContact C-N 3.26Å; E307-D309 PolarHBondContact O-N 3.44Å; E307-S310 WeakPolarHBondContact CA-OG 3.14Å; E307-S310 PolarHBondContact O-OG 3.17Å
308	S	91.5	Very high	95.4	Very high	72 Å²	72	25.9 Å²	25.9	50%	0.503	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.1	176.3	44.5	0	0	0	0	114.4	D287 P306	D287-S308 WeakPolarHBondContact CB-OG 3.26Å; D287-S308 VanDerWaalsContact OD2-CB 3.25Å; D287-S308 WeakPolarHBondContact OD2-CB 3.29Å; D287-S308 PolarHBondContact OD2-OG 3.09Å; P306-S308 PolarHBondContact O-N 3.29Å
309	D	90.1	Very high	94.2	Very high	13 Å²	13	28.6 Å²	28.6	7%	0.07	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-49.9	170.9	-164.2	-17.4	0	0	0	110.5	H285 K286 P306 E307 T311	H285-D309 WeakPolarHBondContact CA-OD2 3.47Å; H285-D309 VanDerWaalsContact CB-OD2 3.24Å; H285-D309 WeakPolarHBondContact CB-OD2 3.45Å; H285-D309 IonicContact CE1-OD2 3.16Å; H285-D309 IonicContact CG-OD2 3.94Å; H285-D309 IonicContact ND1-OD2 3.57Å; H285-D309 PolarHBondContact ND1-OD2 2.84Å; K286-D309 HydrophobicContact CB-CB 4.4Å; K286-D309 PolarHBondContact N-OD2 3.32Å; P306-D309 PolarHBondContact O-N 3.29Å; P306-D309 VanDerWaalsContact O-N 3.14Å; E307-D309 VanDerWaalsContact C-N 3.26Å; E307-D309 PolarHBondContact O-N 3.44Å; D309-T311 WeakPolarHBondContact O-CG2 3.21Å; D309-T311 PolarHBondContact O-N 3.27Å; D309-T311 WeakPolarHBondContact OD1-CB 3.37Å; D309-T311 WeakPolarHBondContact OD1-CG2 3.45Å; D309-T311 PolarHBondContact OD1-OG1 2.84Å
310	S	90.2	Very high	94.1	Very high	23 Å²	23	26.5 Å²	26.5	16%	0.161	15%	0.151	C	C	.	.			trans	53.1	17.5	-177.2	-64	0	0	0	0	115.2	P306 E307	P306-S310 PolarHBondContact O-N 2.8Å; E307-S310 WeakPolarHBondContact CA-OG 3.14Å; E307-S310 PolarHBondContact O-OG 3.17Å
311	T	95.8	Very high	93.9	Very high	11 Å²	11	26.8 Å²	26.8	7%	0.067	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	151.2	175.7	71.3	0	0	0	0	112.1	E27 I33 H285 D309	E27-T311 HydrophobicContact CG-CG2 4Å; I33-T311 WeakPolarHBondContact CD1-O 3.29Å; H285-T311 PolarHBondContact CE1-O 3.48Å; D309-T311 WeakPolarHBondContact O-CG2 3.21Å; D309-T311 PolarHBondContact O-N 3.27Å; D309-T311 WeakPolarHBondContact OD1-CB 3.37Å; D309-T311 WeakPolarHBondContact OD1-CG2 3.45Å; D309-T311 PolarHBondContact OD1-OG1 2.84Å
312	I	98	Very high	93.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.9	166.2	-56.3	165.6	0	0	0	107.5	S25 L26 I33 V36 L45 S47 W57 S303	S25-I312 CarbonylContact C-O 3.55Å; S25-I312 WeakPolarHBondContact CA-O 3.47Å; L26-I312 HydrophobicContact CB-CB 4.09Å; L26-I312 HydrophobicContact CD1-CB 4.28Å; L26-I312 HydrophobicContact CD1-CG2 4.15Å; L26-I312 HydrophobicContact CG-CB 4.39Å; L26-I312 PolarHBondContact N-O 3.21Å; L26-I312 PolarHBondContact O-N 3.06Å; I33-I312 HydrophobicContact CD1-CD1 4.42Å; I33-I312 HydrophobicContact CD1-CG1 3.5Å; I33-I312 VanDerWaalsContact CD1-CG1 3.5Å; I33-I312 HydrophobicContact CG1-CG1 4.16Å; I33-I312 HydrophobicContact CG2-CG1 4.31Å; V36-I312 HydrophobicContact CG1-CD1 4.07Å; V36-I312 HydrophobicContact CG1-CG1 4.07Å; V36-I312 HydrophobicContact CG1-CG2 4.08Å; L45-I312 HydrophobicContact CD2-CG2 3.77Å; S47-I312 WeakPolarHBondContact OG-CD1 3.17Å; W57-I312 HydrophobicContact CZ2-CD1 3.79Å; S303-I312 CarbonylContact O-C 3.57Å; S303-I312 VanDerWaalsContact O-CA 3.27Å; S303-I312 WeakPolarHBondContact O-CA 3.37Å; S303-I312 WeakPolarHBondContact O-CG2 3.25Å
313	K	97.7	Very high	93.4	Very high	18 Å²	18	30 Å²	30	8%	0.078	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.2	174.7	-68.5	176.6	-163.1	-81.1	0	109.7	L22 F24 G284 A302 S303 W315	L22-K313 HydrophobicContact CD1-CB 3.63Å; L22-K313 HydrophobicContact CD1-CD 4.12Å; L22-K313 HydrophobicContact CD1-CG 3.8Å; F24-K313 WeakPolarHBondContact O-CA 3.44Å; G284-K313 WeakPolarHBondContact O-CE 3.2Å; G284-K313 PolarHBondContact O-NZ 3.08Å; A302-K313 CarbonylContact C-O 3.55Å; A302-K313 VanDerWaalsContact CA-O 3.3Å; A302-K313 WeakPolarHBondContact CA-O 3.36Å; S303-K313 PolarHBondContact N-O 3.05Å; S303-K313 PolarHBondContact O-N 2.58Å; K313-W315 HydrophobicContact CB-CZ2 3.85Å; K313-W315 HydrophobicContact CD-CH2 4.14Å; K313-W315 HydrophobicContact CD-CZ2 3.8Å; K313-W315 HydrophobicContact CG-CZ2 4.44Å
314	V	97.9	Very high	93.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.6	172.2	-176.5	0	0	0	0	107.7	K23 F24 L26 F38 L45 L300 I301	K23-V314 WeakPolarHBondContact CA-O 3.39Å; K23-V314 WeakPolarHBondContact CB-O 3.36Å; K23-V314 PolarHBondContact N-O 3.4Å; F24-V314 HydrophobicContact CB-CB 4.09Å; F24-V314 HydrophobicContact CB-CG2 4.31Å; F24-V314 HydrophobicContact CD2-CB 4.09Å; F24-V314 HydrophobicContact CD2-CG1 4.29Å; F24-V314 HydrophobicContact CD2-CG2 4.45Å; F24-V314 PolarHBondContact N-O 3.11Å; F24-V314 VanDerWaalsContact N-O 3.16Å; F24-V314 PolarHBondContact O-N 3.26Å; L26-V314 HydrophobicContact CD1-CG2 4.11Å; L26-V314 HydrophobicContact CG-CG2 4.47Å; F38-V314 HydrophobicContact CZ-CG1 4.41Å; L45-V314 HydrophobicContact CD2-CG2 4.48Å; L300-V314 HydrophobicContact CB-CG1 4.44Å; L300-V314 HydrophobicContact CD2-CG1 4.37Å; I301-V314 CarbonylContact O-C 3.53Å; I301-V314 WeakPolarHBondContact O-CA 3.5Å
315	W	97.9	Very high	92.8	Very high	7 Å²	7	34 Å²	34	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	138	179.2	-43.1	86.7	0	0	0	109.1	Y20 E21 L22 V268 M282 L283 L300 I301 S303 K313	Y20-W315 HydrophobicContact CD1-CB 3.98Å; E21-W315 CarbonylContact O-C 3.49Å; E21-W315 VanDerWaalsContact O-CA 3.23Å; E21-W315 WeakPolarHBondContact O-CA 3.12Å; L22-W315 HydrophobicContact CB-CE3 4.15Å; L22-W315 HydrophobicContact CB-CZ3 4.07Å; L22-W315 HydrophobicContact CD1-CD2 4.5Å; L22-W315 HydrophobicContact CD1-CE3 4.33Å; L22-W315 HydrophobicContact CD1-CH2 4.46Å; L22-W315 HydrophobicContact CD1-CZ3 4.31Å; V268-W315 HydrophobicContact CG2-CZ2 4.49Å; M282-W315 HydrophobicContact CB-CD2 3.97Å; M282-W315 HydrophobicContact CB-CE3 3.74Å; M282-W315 HydrophobicContact CB-CH2 3.97Å; M282-W315 HydrophobicContact CB-CZ2 4.18Å; M282-W315 HydrophobicContact CB-CZ3 3.74Å; M282-W315 HydrophobicContact CG-CD2 4.2Å; M282-W315 HydrophobicContact CG-CE3 4Å; M282-W315 HydrophobicContact CG-CZ3 4.44Å; M282-W315 HydrophobicContact SD-CB 3.81Å; M282-W315 HydrophobicContact SD-CD2 3.83Å; M282-W315 HydrophobicContact SD-CE3 4.18Å; M282-W315 HydrophobicContact SD-CG 3.64Å; L283-W315 WeakPolarHBondContact O-CH2 3.42Å; L300-W315 CarbonylContact C-O 3.53Å; L300-W315 WeakPolarHBondContact CA-O 3.37Å; I301-W315 HydrophobicContact CB-CB 4.32Å; I301-W315 PolarHBondContact N-O 3.49Å; I301-W315 VanDerWaalsContact O-CD1 3.25Å; I301-W315 PolarHBondContact O-N 3.18Å; S303-W315 PolarHBondContact OG-NE1 3.07Å; K313-W315 HydrophobicContact CB-CZ2 3.85Å; K313-W315 HydrophobicContact CD-CH2 4.14Å; K313-W315 HydrophobicContact CD-CZ2 3.8Å; K313-W315 HydrophobicContact CG-CZ2 4.44Å
316	A	96.8	Very high	92.7	Very high	17 Å²	17	36.4 Å²	36.4	14%	0.14	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133	177.6	0	0	0	0	0	110.2	Y20 E21 K23 L300 V318	Y20-A316 CarbonylContact C-O 3.57Å; Y20-A316 WeakPolarHBondContact CA-O 3.42Å; E21-A316 PolarHBondContact N-O 3.03Å; E21-A316 PolarHBondContact O-N 2.74Å; K23-A316 HydrophobicContact CB-CB 4Å; K23-A316 HydrophobicContact CD-CB 4.12Å; L300-A316 HydrophobicContact CD2-CB 3.42Å; L300-A316 VanDerWaalsContact CD2-CB 3.42Å; A316-V318 PolarHBondContact O-N 2.75Å
317	D	95.9	Very high	92.7	Very high	28 Å²	28	36.8 Å²	36.8	15%	0.15	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	117.2	167.3	-166.4	19.2	0	0	0	108.4	N19 Y20 K299 D319	N19-D317 WeakPolarHBondContact CA-OD1 3.47Å; N19-D317 PolarHBondContact N-OD1 3.08Å; Y20-D317 HydrophobicContact CD1-CB 4.4Å; Y20-D317 HydrophobicContact CD2-CB 4.09Å; Y20-D317 HydrophobicContact CE1-CB 4.19Å; Y20-D317 HydrophobicContact CE2-CB 3.86Å; Y20-D317 HydrophobicContact CG-CB 4.36Å; K299-D317 HydrophobicContact CB-CB 3.69Å; K299-D317 HydrophobicContact CD-CB 3.65Å; K299-D317 WeakPolarHBondContact CD-OD2 3.22Å; K299-D317 WeakPolarHBondContact CE-OD2 3.32Å; K299-D317 HydrophobicContact CG-CB 4.41Å; K299-D317 IonicContact NZ-OD2 3.69Å; K299-D317 PolarHBondContact NZ-OD2 3.18Å; K299-D317 PolarHBondContact O-N 3.3Å; K299-D317 VanDerWaalsContact O-N 3.08Å; D317-D319 PolarHBondContact O-N 2.79Å
318	V	90.4	Very high	92.9	Very high	77 Å²	77	30.1 Å²	30.1	47%	0.467	18%	0.181	S	C	.	.			trans	-84.7	8	-175.1	-62.7	0	0	0	0	113.4	N19 E21 A316	N19-V318 HydrophobicContact CB-CG2 4.24Å; N19-V318 WeakPolarHBondContact ND2-CG2 3.44Å; N19-V318 PolarHBondContact O-N 2.97Å; N19-V318 VanDerWaalsContact O-N 3.15Å; E21-V318 HydrophobicContact CB-CG1 3.98Å; E21-V318 HydrophobicContact CG-CG1 4.17Å; E21-V318 HydrophobicContact CG-CG2 4.21Å; A316-V318 PolarHBondContact O-N 2.75Å
319	D	72.6	Confident	93	Very high	95 Å²	95	26.3 Å²	26.3	51%	0.508	15%	0.152	S	C	.	.			trans	-117.6	0	-176.5	-68.8	-47	0	0	0	114.9	R16 N19 K299 D317	R16-D319 IonicContact CZ-OD1 3.8Å; R16-D319 IonicContact CZ-OD2 2.95Å; R16-D319 IonicContact NE-OD2 3.96Å; R16-D319 PolarHBondContact NE-OD2 3.35Å; R16-D319 IonicContact NH1-OD1 2.79Å; R16-D319 PolarHBondContact NH1-OD1 3.36Å; R16-D319 IonicContact NH1-OD2 3.49Å; R16-D319 PolarHBondContact NH1-OD2 3.27Å; R16-D319 IonicContact NH2-OD1 3.27Å; R16-D319 PolarHBondContact NH2-OD1 3.39Å; R16-D319 IonicContact NH2-OD2 3.79Å; R16-D319 PolarHBondContact NH2-OD2 2.8Å; N19-D319 WeakPolarHBondContact CB-OD2 3.18Å; K299-D319 PolarHBondContact NZ-O 2.84Å; D317-D319 PolarHBondContact O-N 2.79Å

Retrieved 319 of 319 residues in 215.5 ms (Link to these results)

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